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/2KXM-7c1aafa1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KXM-7c1aafa1/inputs/seq.fa: 1
curr_seq: _GGCUGCUUGUCCUUUAAUGGUCCAGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUGCUUGUCCUUUAAUGGUCCAGUC
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/2KXM-7c1aafa1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KXM-7c1aafa1/inputs/seq.fa: 1
curr_seq: _GGCUGCUUGUCCUUUAAUGGUCCAGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUGCUUGUCCUUUAAUGGUCCAGUC
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/2KXM-7c1aafa1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KXM-7c1aafa1/inputs/seq.fa: 1
curr_seq: _GGCUGCUUGUCCUUUAAUGGUCCAGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUGCUUGUCCUUUAAUGGUCCAGUC
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/2KXM-7c1aafa1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KXM-7c1aafa1/inputs/seq.fa: 1
curr_seq: _GGCUGCUUGUCCUUUAAUGGUCCAGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUGCUUGUCCUUUAAUGGUCCAGUC
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/2KXM-7c1aafa1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KXM-7c1aafa1/inputs/seq.fa: 1
curr_seq: _GGCUGCUUGUCCUUUAAUGGUCCAGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUGCUUGUCCUUUAAUGGUCCAGUC
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/2KXM-7c1aafa1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KXM-7c1aafa1/inputs/seq.fa: 1
curr_seq: _GGCUGCUUGUCCUUUAAUGGUCCAGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUGCUUGUCCUUUAAUGGUCCAGUC
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/2KXM-7c1aafa1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KXM-7c1aafa1/inputs/seq.fa: 1
curr_seq: _GGCUGCUUGUCCUUUAAUGGUCCAGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUGCUUGUCCUUUAAUGGUCCAGUC
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/2KXM-7c1aafa1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KXM-7c1aafa1/inputs/seq.fa: 1
curr_seq: _GGCUGCUUGUCCUUUAAUGGUCCAGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUGCUUGUCCUUUAAUGGUCCAGUC
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/2KXM-7c1aafa1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KXM-7c1aafa1/inputs/seq.fa: 1
curr_seq: _GGCUGCUUGUCCUUUAAUGGUCCAGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUGCUUGUCCUUUAAUGGUCCAGUC
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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/2KXM-7c1aafa1/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/2KXM-7c1aafa1/inputs/seq.fa: 1
curr_seq: _GGCUGCUUGUCCUUUAAUGGUCCAGUC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GGCUGCUUGUCCUUUAAUGGUCCAGUC
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 27 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: 140
n_atoms_counter: 140
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 27.000000 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: -100.275007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.275007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.275007 (E_RNA)
where:
Base-Base interactions energy: 0.062
where: short stacking energy: 0.062
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -100.275007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.275007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.275007 (E_RNA)
where:
Base-Base interactions energy: 0.062
where: short stacking energy: 0.062
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -100.275007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.275007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.275007 (E_RNA)
where:
Base-Base interactions energy: 0.062
where: short stacking energy: 0.062
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -100.275007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.275007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.275007 (E_RNA)
where:
Base-Base interactions energy: 0.062
where: short stacking energy: 0.062
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -100.275007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.275007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.275007 (E_RNA)
where:
Base-Base interactions energy: 0.062
where: short stacking energy: 0.062
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -100.275007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.275007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.275007 (E_RNA)
where:
Base-Base interactions energy: 0.062
where: short stacking energy: 0.062
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -100.275007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.275007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.275007 (E_RNA)
where:
Base-Base interactions energy: 0.062
where: short stacking energy: 0.062
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -100.275007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.275007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.275007 (E_RNA)
where:
Base-Base interactions energy: 0.062
where: short stacking energy: 0.062
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -100.275007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.275007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.275007 (E_RNA)
where:
Base-Base interactions energy: 0.062
where: short stacking energy: 0.062
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -100.275007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.275007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.275007 (E_RNA)
where:
Base-Base interactions energy: 0.062
where: short stacking energy: 0.062
Base-Backbone interact. energy: -0.000
local terms energy: -100.336674
where:
bonds (distance) C4'-P energy: -26.233
bonds (distance) P-C4' energy: -25.050
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -22.677
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -157.949535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.949535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.949535 (E_RNA)
where:
Base-Base interactions energy: -74.472
where: short stacking energy: -57.816
Base-Backbone interact. energy: 0.685
local terms energy: -84.163345
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -15.324
tors. eta vs tors. theta energy: -7.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -166.842045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.842045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.842045 (E_RNA)
where:
Base-Base interactions energy: -73.332
where: short stacking energy: -73.332
Base-Backbone interact. energy: -0.049
local terms energy: -93.460799
where:
bonds (distance) C4'-P energy: -22.797
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -12.245
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: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -150.405257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.405257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.405257 (E_RNA)
where:
Base-Base interactions energy: -72.088
where: short stacking energy: -72.088
Base-Backbone interact. energy: -0.052
local terms energy: -78.264961
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -10.114
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: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -142.661506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.661506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.661506 (E_RNA)
where:
Base-Base interactions energy: -59.613
where: short stacking energy: -51.470
Base-Backbone interact. energy: -1.826
local terms energy: -81.222117
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -12.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -138.090693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.090693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.090693 (E_RNA)
where:
Base-Base interactions energy: -59.406
where: short stacking energy: -59.406
Base-Backbone interact. energy: -0.133
local terms energy: -78.551566
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -11.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -148.366122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.366122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.366122 (E_RNA)
where:
Base-Base interactions energy: -80.024
where: short stacking energy: -47.776
Base-Backbone interact. energy: -0.078
local terms energy: -68.264057
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -6.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -112.402661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.402661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.402661 (E_RNA)
where:
Base-Base interactions energy: -43.356
where: short stacking energy: -30.281
Base-Backbone interact. energy: -0.179
local terms energy: -68.867350
where:
bonds (distance) C4'-P energy: -20.805
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -13.968
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -4.259
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -111.107800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.107800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.107800 (E_RNA)
where:
Base-Base interactions energy: -45.042
where: short stacking energy: -34.373
Base-Backbone interact. energy: -0.135
local terms energy: -65.930718
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -5.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -103.821962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.821962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.821962 (E_RNA)
where:
Base-Base interactions energy: -5.822
where: short stacking energy: -5.822
Base-Backbone interact. energy: -0.000
local terms energy: -98.000302
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -22.595
tors. eta vs tors. theta energy: -6.892
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: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -103.831902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.831902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.831902 (E_RNA)
where:
Base-Base interactions energy: -5.822
where: short stacking energy: -5.822
Base-Backbone interact. energy: -0.000
local terms energy: -98.010044
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -25.033
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -22.632
tors. eta vs tors. theta energy: -6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -176.395586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.395586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.395586 (E_RNA)
where:
Base-Base interactions energy: -84.500
where: short stacking energy: -76.200
Base-Backbone interact. energy: -0.006
local terms energy: -91.889528
where:
bonds (distance) C4'-P energy: -19.166
bonds (distance) P-C4' energy: -18.275
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -15.826
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: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -162.745918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.745918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.745918 (E_RNA)
where:
Base-Base interactions energy: -81.593
where: short stacking energy: -67.530
Base-Backbone interact. energy: -0.168
local terms energy: -80.985018
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -20.735
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -11.059
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: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -158.222081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.222081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.222081 (E_RNA)
where:
Base-Base interactions energy: -76.972
where: short stacking energy: -64.361
Base-Backbone interact. energy: 1.681
local terms energy: -82.931372
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -22.364
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -15.320
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: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -138.462195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.462195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.462195 (E_RNA)
where:
Base-Base interactions energy: -56.857
where: short stacking energy: -49.759
Base-Backbone interact. energy: -0.028
local terms energy: -81.576916
where:
bonds (distance) C4'-P energy: -21.496
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -8.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -169.333276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.333276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.333276 (E_RNA)
where:
Base-Base interactions energy: -97.283
where: short stacking energy: -50.123
Base-Backbone interact. energy: 0.990
local terms energy: -73.040101
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -128.468736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.468736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.468736 (E_RNA)
where:
Base-Base interactions energy: -52.304
where: short stacking energy: -52.304
Base-Backbone interact. energy: -0.067
local terms energy: -76.097894
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -16.877
flat angles P-C4'-P energy: -8.159
tors. eta vs tors. theta energy: -11.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -130.603686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.603686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.603686 (E_RNA)
where:
Base-Base interactions energy: -68.410
where: short stacking energy: -36.316
Base-Backbone interact. energy: -1.476
local terms energy: -60.717987
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -118.018163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.018163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.018163 (E_RNA)
where:
Base-Base interactions energy: -57.298
where: short stacking energy: -50.836
Base-Backbone interact. energy: -0.100
local terms energy: -60.620528
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -7.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -92.620721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.620721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.620721 (E_RNA)
where:
Base-Base interactions energy: -38.026
where: short stacking energy: -33.093
Base-Backbone interact. energy: -0.129
local terms energy: -54.465630
where:
bonds (distance) C4'-P energy: -9.255
bonds (distance) P-C4' energy: -18.778
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -1.713
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -103.125202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.125202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.125202 (E_RNA)
where:
Base-Base interactions energy: -40.485
where: short stacking energy: -38.540
Base-Backbone interact. energy: -0.072
local terms energy: -62.567553
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -23.556
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: 0.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -188.172317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.172317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.172317 (E_RNA)
where:
Base-Base interactions energy: -116.101
where: short stacking energy: -51.405
Base-Backbone interact. energy: -1.033
local terms energy: -71.037668
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -14.848
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: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -167.044547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.044547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.044547 (E_RNA)
where:
Base-Base interactions energy: -92.513
where: short stacking energy: -75.842
Base-Backbone interact. energy: -0.100
local terms energy: -74.431911
where:
bonds (distance) C4'-P energy: -21.100
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -13.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -161.050642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.050642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.050642 (E_RNA)
where:
Base-Base interactions energy: -86.165
where: short stacking energy: -52.317
Base-Backbone interact. energy: 1.803
local terms energy: -76.688180
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -14.461
tors. eta vs tors. theta energy: -6.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -162.401013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.401013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.401013 (E_RNA)
where:
Base-Base interactions energy: -74.257
where: short stacking energy: -60.912
Base-Backbone interact. energy: -0.158
local terms energy: -87.986795
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -21.868
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -14.002
tors. eta vs tors. theta energy: -14.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -200.867798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.867798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.867798 (E_RNA)
where:
Base-Base interactions energy: -127.803
where: short stacking energy: -56.168
Base-Backbone interact. energy: -0.390
local terms energy: -72.675620
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -155.839928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.839928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.839928 (E_RNA)
where:
Base-Base interactions energy: -82.059
where: short stacking energy: -44.356
Base-Backbone interact. energy: -0.264
local terms energy: -73.517265
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -11.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -115.708045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.708045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.708045 (E_RNA)
where:
Base-Base interactions energy: -48.014
where: short stacking energy: -43.186
Base-Backbone interact. energy: -1.954
local terms energy: -65.740711
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -13.141
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -6.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -114.863531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.863531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.863531 (E_RNA)
where:
Base-Base interactions energy: -47.340
where: short stacking energy: -34.609
Base-Backbone interact. energy: 0.590
local terms energy: -68.113977
where:
bonds (distance) C4'-P energy: -18.196
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -5.766
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: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -97.486157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.486157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.486157 (E_RNA)
where:
Base-Base interactions energy: -34.663
where: short stacking energy: -21.075
Base-Backbone interact. energy: -0.305
local terms energy: -62.518279
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -9.013
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: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -98.500713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.500713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.500713 (E_RNA)
where:
Base-Base interactions energy: -49.819
where: short stacking energy: -25.158
Base-Backbone interact. energy: -0.097
local terms energy: -48.585312
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -9.908
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: 2.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -192.141348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.141348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.141348 (E_RNA)
where:
Base-Base interactions energy: -115.782
where: short stacking energy: -60.580
Base-Backbone interact. energy: -0.298
local terms energy: -76.061709
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -11.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -177.363300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.363300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.363300 (E_RNA)
where:
Base-Base interactions energy: -95.784
where: short stacking energy: -62.933
Base-Backbone interact. energy: -0.287
local terms energy: -81.292802
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -12.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -158.843443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.843443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.843443 (E_RNA)
where:
Base-Base interactions energy: -86.912
where: short stacking energy: -69.807
Base-Backbone interact. energy: -0.178
local terms energy: -71.753496
where:
bonds (distance) C4'-P energy: -13.855
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -15.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -222.959503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.959503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.959503 (E_RNA)
where:
Base-Base interactions energy: -149.954
where: short stacking energy: -59.176
Base-Backbone interact. energy: -1.682
local terms energy: -71.323175
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -198.204881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.204881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.204881 (E_RNA)
where:
Base-Base interactions energy: -117.139
where: short stacking energy: -55.251
Base-Backbone interact. energy: 0.025
local terms energy: -81.090610
where:
bonds (distance) C4'-P energy: -21.190
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -9.104
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: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -162.425302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.425302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.425302 (E_RNA)
where:
Base-Base interactions energy: -92.099
where: short stacking energy: -49.303
Base-Backbone interact. energy: -0.416
local terms energy: -69.910968
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -12.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -122.906570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.906570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.906570 (E_RNA)
where:
Base-Base interactions energy: -63.062
where: short stacking energy: -39.836
Base-Backbone interact. energy: -0.142
local terms energy: -59.702483
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -5.985
tors. eta vs tors. theta energy: -9.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -110.055991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.055991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.055991 (E_RNA)
where:
Base-Base interactions energy: -56.115
where: short stacking energy: -35.892
Base-Backbone interact. energy: 0.110
local terms energy: -54.051413
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -18.512
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: 0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -97.146477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.146477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.146477 (E_RNA)
where:
Base-Base interactions energy: -28.615
where: short stacking energy: -23.738
Base-Backbone interact. energy: -0.121
local terms energy: -68.410753
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -21.857
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -0.468
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: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -111.289870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.289870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.289870 (E_RNA)
where:
Base-Base interactions energy: -52.954
where: short stacking energy: -30.957
Base-Backbone interact. energy: -1.321
local terms energy: -57.014692
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -9.873
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -3.168
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: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -239.126351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.126351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.126351 (E_RNA)
where:
Base-Base interactions energy: -168.577
where: short stacking energy: -57.071
Base-Backbone interact. energy: 2.272
local terms energy: -72.821049
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -20.958
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -14.532
tors. eta vs tors. theta energy: -8.079
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: 5
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -171.921690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.921690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.921690 (E_RNA)
where:
Base-Base interactions energy: -90.184
where: short stacking energy: -59.413
Base-Backbone interact. energy: -0.502
local terms energy: -81.235953
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -13.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -223.688782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.688782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.688782 (E_RNA)
where:
Base-Base interactions energy: -138.886
where: short stacking energy: -63.279
Base-Backbone interact. energy: -0.165
local terms energy: -84.637763
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -20.403
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -17.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -138.939877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.939877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.939877 (E_RNA)
where:
Base-Base interactions energy: -69.753
where: short stacking energy: -50.918
Base-Backbone interact. energy: -0.646
local terms energy: -68.541483
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -206.739676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.739676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.739676 (E_RNA)
where:
Base-Base interactions energy: -127.771
where: short stacking energy: -71.513
Base-Backbone interact. energy: -0.583
local terms energy: -78.385032
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -15.445
tors. eta vs tors. theta energy: -16.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -133.754442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.754442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.754442 (E_RNA)
where:
Base-Base interactions energy: -59.116
where: short stacking energy: -49.703
Base-Backbone interact. energy: -0.030
local terms energy: -74.608118
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -10.348
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: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -124.857758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.857758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.857758 (E_RNA)
where:
Base-Base interactions energy: -65.646
where: short stacking energy: -35.713
Base-Backbone interact. energy: -0.298
local terms energy: -58.913211
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -18.674
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -8.589
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: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -103.990733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.990733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.990733 (E_RNA)
where:
Base-Base interactions energy: -36.165
where: short stacking energy: -30.232
Base-Backbone interact. energy: -0.238
local terms energy: -67.587103
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -8.070
tors. eta vs tors. theta energy: -3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -107.772018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.772018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.772018 (E_RNA)
where:
Base-Base interactions energy: -57.598
where: short stacking energy: -45.851
Base-Backbone interact. energy: 0.622
local terms energy: -50.796748
where:
bonds (distance) C4'-P energy: -7.758
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -6.997
tors. eta vs tors. theta energy: -8.370
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: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -91.960292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.960292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.960292 (E_RNA)
where:
Base-Base interactions energy: -33.280
where: short stacking energy: -33.099
Base-Backbone interact. energy: -0.393
local terms energy: -58.286960
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -260.659646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.659646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.659646 (E_RNA)
where:
Base-Base interactions energy: -178.638
where: short stacking energy: -70.569
Base-Backbone interact. energy: -0.475
local terms energy: -81.546425
where:
bonds (distance) C4'-P energy: -22.842
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -12.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -253.323382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.323382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.323382 (E_RNA)
where:
Base-Base interactions energy: -170.372
where: short stacking energy: -84.369
Base-Backbone interact. energy: -0.008
local terms energy: -82.943161
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -27.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -162.231175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.231175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.231175 (E_RNA)
where:
Base-Base interactions energy: -83.036
where: short stacking energy: -53.802
Base-Backbone interact. energy: -0.233
local terms energy: -78.961471
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -205.176563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.176563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.176563 (E_RNA)
where:
Base-Base interactions energy: -133.978
where: short stacking energy: -62.470
Base-Backbone interact. energy: -0.159
local terms energy: -71.039653
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -14.453
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: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -137.271752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.271752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.271752 (E_RNA)
where:
Base-Base interactions energy: -70.864
where: short stacking energy: -37.092
Base-Backbone interact. energy: -0.177
local terms energy: -66.230697
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -5.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -124.056818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.056818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.056818 (E_RNA)
where:
Base-Base interactions energy: -47.996
where: short stacking energy: -34.884
Base-Backbone interact. energy: -0.136
local terms energy: -75.924151
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -21.597
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -6.718
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: 10
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -103.328971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.328971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.328971 (E_RNA)
where:
Base-Base interactions energy: -43.397
where: short stacking energy: -43.397
Base-Backbone interact. energy: -0.458
local terms energy: -59.474527
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -2.261
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -122.934182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.934182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.934182 (E_RNA)
where:
Base-Base interactions energy: -63.962
where: short stacking energy: -44.868
Base-Backbone interact. energy: -1.051
local terms energy: -57.920628
where:
bonds (distance) C4'-P energy: -7.207
bonds (distance) P-C4' energy: -13.385
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -7.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -88.239086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.239086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.239086 (E_RNA)
where:
Base-Base interactions energy: -28.353
where: short stacking energy: -24.980
Base-Backbone interact. energy: -0.263
local terms energy: -59.622881
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -17.264
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -0.052
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: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -95.132002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.132002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.132002 (E_RNA)
where:
Base-Base interactions energy: -39.373
where: short stacking energy: -36.137
Base-Backbone interact. energy: -0.156
local terms energy: -55.602750
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -4.686
tors. eta vs tors. theta energy: -4.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -287.356549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.356549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.356549 (E_RNA)
where:
Base-Base interactions energy: -185.715
where: short stacking energy: -97.956
Base-Backbone interact. energy: -0.138
local terms energy: -101.503489
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -16.755
tors. eta vs tors. theta energy: -25.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -245.002490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.002490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.002490 (E_RNA)
where:
Base-Base interactions energy: -169.846
where: short stacking energy: -64.847
Base-Backbone interact. energy: -0.133
local terms energy: -75.022902
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -213.034260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.034260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.034260 (E_RNA)
where:
Base-Base interactions energy: -130.004
where: short stacking energy: -78.947
Base-Backbone interact. energy: -1.128
local terms energy: -81.902942
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -17.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -153.144602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.144602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.144602 (E_RNA)
where:
Base-Base interactions energy: -92.343
where: short stacking energy: -58.330
Base-Backbone interact. energy: -0.454
local terms energy: -60.347501
where:
bonds (distance) C4'-P energy: -8.601
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -9.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -176.428993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.428993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.428993 (E_RNA)
where:
Base-Base interactions energy: -114.523
where: short stacking energy: -54.828
Base-Backbone interact. energy: -0.156
local terms energy: -61.750823
where:
bonds (distance) C4'-P energy: -16.485
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -5.359
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: 6, replica: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -131.064624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.064624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.064624 (E_RNA)
where:
Base-Base interactions energy: -56.102
where: short stacking energy: -43.003
Base-Backbone interact. energy: -0.586
local terms energy: -74.377323
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -133.646191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.646191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.646191 (E_RNA)
where:
Base-Base interactions energy: -66.521
where: short stacking energy: -29.710
Base-Backbone interact. energy: -0.969
local terms energy: -66.155363
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -7.194
tors. eta vs tors. theta energy: 0.502
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: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -124.714509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.714509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.714509 (E_RNA)
where:
Base-Base interactions energy: -65.819
where: short stacking energy: -35.272
Base-Backbone interact. energy: -0.287
local terms energy: -58.608491
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -8.439
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: 8
Temperature: 1.300000
Total energy: -98.386275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.386275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.386275 (E_RNA)
where:
Base-Base interactions energy: -37.029
where: short stacking energy: -37.029
Base-Backbone interact. energy: -0.137
local terms energy: -61.220256
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -12.703
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: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -95.024134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.024134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.024134 (E_RNA)
where:
Base-Base interactions energy: -34.456
where: short stacking energy: -34.456
Base-Backbone interact. energy: 0.436
local terms energy: -61.004543
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -5.268
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: 4
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -287.233884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.233884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.233884 (E_RNA)
where:
Base-Base interactions energy: -194.450
where: short stacking energy: -85.794
Base-Backbone interact. energy: -0.184
local terms energy: -92.599826
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -21.746
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -22.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -214.818567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.818567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.818567 (E_RNA)
where:
Base-Base interactions energy: -125.917
where: short stacking energy: -69.559
Base-Backbone interact. energy: -0.082
local terms energy: -88.820342
where:
bonds (distance) C4'-P energy: -12.096
bonds (distance) P-C4' energy: -21.527
flat angles C4'-P-C4' energy: -21.347
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: -16.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -235.368264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.368264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.368264 (E_RNA)
where:
Base-Base interactions energy: -152.525
where: short stacking energy: -66.070
Base-Backbone interact. energy: -0.620
local terms energy: -82.223098
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -22.846
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -10.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -183.992568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.992568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.992568 (E_RNA)
where:
Base-Base interactions energy: -94.818
where: short stacking energy: -61.180
Base-Backbone interact. energy: -0.162
local terms energy: -89.012486
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -20.662
flat angles C4'-P-C4' energy: -21.328
flat angles P-C4'-P energy: -14.177
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: 5, replica: 5
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -135.998070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.998070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.998070 (E_RNA)
where:
Base-Base interactions energy: -63.012
where: short stacking energy: -58.552
Base-Backbone interact. energy: -0.071
local terms energy: -72.915173
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -20.432
flat angles P-C4'-P energy: -5.529
tors. eta vs tors. theta energy: -10.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -182.205299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.205299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.205299 (E_RNA)
where:
Base-Base interactions energy: -107.428
where: short stacking energy: -62.404
Base-Backbone interact. energy: -0.353
local terms energy: -74.423599
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -14.595
tors. eta vs tors. theta energy: -11.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -107.792934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.792934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.792934 (E_RNA)
where:
Base-Base interactions energy: -39.096
where: short stacking energy: -39.096
Base-Backbone interact. energy: 0.183
local terms energy: -68.879606
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -10.440
tors. eta vs tors. theta energy: -4.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -117.096527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.096527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.096527 (E_RNA)
where:
Base-Base interactions energy: -44.321
where: short stacking energy: -44.818
Base-Backbone interact. energy: -0.710
local terms energy: -72.065419
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -9.458
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: 9
Temperature: 1.300000
Total energy: -93.797214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.797214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.797214 (E_RNA)
where:
Base-Base interactions energy: -35.831
where: short stacking energy: -29.639
Base-Backbone interact. energy: -0.567
local terms energy: -57.398491
where:
bonds (distance) C4'-P energy: -11.231
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: 1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -102.972352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.972352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.972352 (E_RNA)
where:
Base-Base interactions energy: -40.828
where: short stacking energy: -40.449
Base-Backbone interact. energy: -0.136
local terms energy: -62.008862
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -20.846
flat angles C4'-P-C4' energy: -11.568
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -2.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -298.949150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.949150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.949150 (E_RNA)
where:
Base-Base interactions energy: -197.583
where: short stacking energy: -99.522
Base-Backbone interact. energy: -0.181
local terms energy: -101.185479
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -21.966
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -27.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -228.301903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.301903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.301903 (E_RNA)
where:
Base-Base interactions energy: -140.407
where: short stacking energy: -55.590
Base-Backbone interact. energy: -2.434
local terms energy: -85.460483
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -14.932
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: 1
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -181.616643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.616643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.616643 (E_RNA)
where:
Base-Base interactions energy: -99.319
where: short stacking energy: -52.996
Base-Backbone interact. energy: -0.018
local terms energy: -82.280060
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -20.550
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -225.855132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.855132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.855132 (E_RNA)
where:
Base-Base interactions energy: -150.452
where: short stacking energy: -54.336
Base-Backbone interact. energy: -0.058
local terms energy: -75.345030
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -12.679
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -211.035628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.035628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.035628 (E_RNA)
where:
Base-Base interactions energy: -139.744
where: short stacking energy: -60.901
Base-Backbone interact. energy: -0.646
local terms energy: -70.645886
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -12.147
flat angles C4'-P-C4' energy: -20.686
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -10.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -116.590080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.590080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.590080 (E_RNA)
where:
Base-Base interactions energy: -52.994
where: short stacking energy: -50.831
Base-Backbone interact. energy: 3.594
local terms energy: -67.189715
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -13.772
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -9.585
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: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -107.735697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.735697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.735697 (E_RNA)
where:
Base-Base interactions energy: -39.602
where: short stacking energy: -34.506
Base-Backbone interact. energy: -0.222
local terms energy: -67.911141
where:
bonds (distance) C4'-P energy: -20.184
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -22.234
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -4.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -105.777370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.777370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.777370 (E_RNA)
where:
Base-Base interactions energy: -40.774
where: short stacking energy: -27.662
Base-Backbone interact. energy: 0.570
local terms energy: -65.573749
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -23.336
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: 0.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -97.811890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.811890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.811890 (E_RNA)
where:
Base-Base interactions energy: -35.511
where: short stacking energy: -32.620
Base-Backbone interact. energy: -0.190
local terms energy: -62.110882
where:
bonds (distance) C4'-P energy: -16.786
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -2.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -92.286802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.286802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.286802 (E_RNA)
where:
Base-Base interactions energy: -47.139
where: short stacking energy: -41.461
Base-Backbone interact. energy: -0.154
local terms energy: -44.993345
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: 3.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -286.281983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.281983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.281983 (E_RNA)
where:
Base-Base interactions energy: -186.329
where: short stacking energy: -94.391
Base-Backbone interact. energy: -0.030
local terms energy: -99.923598
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -19.176
flat angles P-C4'-P energy: -14.683
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: 2, replica: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -254.393314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.393314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.393314 (E_RNA)
where:
Base-Base interactions energy: -168.785
where: short stacking energy: -72.311
Base-Backbone interact. energy: -0.048
local terms energy: -85.560968
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -13.065
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -171.902941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.902941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.902941 (E_RNA)
where:
Base-Base interactions energy: -97.660
where: short stacking energy: -54.845
Base-Backbone interact. energy: -0.461
local terms energy: -73.781832
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -11.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -227.643518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.643518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.643518 (E_RNA)
where:
Base-Base interactions energy: -143.468
where: short stacking energy: -64.981
Base-Backbone interact. energy: -0.281
local terms energy: -83.893977
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -19.300
flat angles C4'-P-C4' energy: -17.570
flat angles P-C4'-P energy: -13.686
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: 5, replica: 3
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -211.803492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.803492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.803492 (E_RNA)
where:
Base-Base interactions energy: -145.909
where: short stacking energy: -54.823
Base-Backbone interact. energy: 2.602
local terms energy: -68.496235
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -8.295
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: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -110.893967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.893967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.893967 (E_RNA)
where:
Base-Base interactions energy: -41.306
where: short stacking energy: -33.714
Base-Backbone interact. energy: 0.312
local terms energy: -69.899993
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -7.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -157.289009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.289009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.289009 (E_RNA)
where:
Base-Base interactions energy: -85.555
where: short stacking energy: -40.348
Base-Backbone interact. energy: -0.042
local terms energy: -71.692525
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -3.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -114.096687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.096687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.096687 (E_RNA)
where:
Base-Base interactions energy: -53.075
where: short stacking energy: -51.663
Base-Backbone interact. energy: 0.198
local terms energy: -61.219340
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -7.649
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: 6
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -109.135393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.135393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.135393 (E_RNA)
where:
Base-Base interactions energy: -43.154
where: short stacking energy: -41.997
Base-Backbone interact. energy: -0.052
local terms energy: -65.928963
where:
bonds (distance) C4'-P energy: -10.115
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -8.452
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: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -122.945879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.945879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.945879 (E_RNA)
where:
Base-Base interactions energy: -65.048
where: short stacking energy: -35.667
Base-Backbone interact. energy: -0.589
local terms energy: -57.309554
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -5.009
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: 4
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -288.532750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.532750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.532750 (E_RNA)
where:
Base-Base interactions energy: -187.125
where: short stacking energy: -89.657
Base-Backbone interact. energy: 0.647
local terms energy: -102.054250
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -27.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -277.256181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.256181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.256181 (E_RNA)
where:
Base-Base interactions energy: -189.126
where: short stacking energy: -75.258
Base-Backbone interact. energy: -0.775
local terms energy: -87.355271
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -234.996699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.996699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.996699 (E_RNA)
where:
Base-Base interactions energy: -148.544
where: short stacking energy: -76.680
Base-Backbone interact. energy: -0.223
local terms energy: -86.230449
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -22.303
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -21.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -219.410296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.410296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.410296 (E_RNA)
where:
Base-Base interactions energy: -140.759
where: short stacking energy: -65.745
Base-Backbone interact. energy: 1.265
local terms energy: -79.915894
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -11.204
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: 5, replica: 3
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -214.674969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.674969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.674969 (E_RNA)
where:
Base-Base interactions energy: -145.385
where: short stacking energy: -53.866
Base-Backbone interact. energy: 0.742
local terms energy: -70.032001
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -114.637760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.637760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.637760 (E_RNA)
where:
Base-Base interactions energy: -45.343
where: short stacking energy: -44.111
Base-Backbone interact. energy: -0.229
local terms energy: -69.065805
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -20.328
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -173.527892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.527892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.527892 (E_RNA)
where:
Base-Base interactions energy: -97.751
where: short stacking energy: -62.337
Base-Backbone interact. energy: -0.123
local terms energy: -75.653173
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -114.897371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.897371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.897371 (E_RNA)
where:
Base-Base interactions energy: -52.962
where: short stacking energy: -39.460
Base-Backbone interact. energy: 0.534
local terms energy: -62.469595
where:
bonds (distance) C4'-P energy: -22.158
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -5.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -115.643245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.643245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.643245 (E_RNA)
where:
Base-Base interactions energy: -52.914
where: short stacking energy: -40.796
Base-Backbone interact. energy: -0.042
local terms energy: -62.687401
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -107.722727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.722727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.722727 (E_RNA)
where:
Base-Base interactions energy: -45.080
where: short stacking energy: -34.593
Base-Backbone interact. energy: -0.607
local terms energy: -62.036273
where:
bonds (distance) C4'-P energy: -21.845
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -1.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -291.901904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.901904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.901904 (E_RNA)
where:
Base-Base interactions energy: -196.621
where: short stacking energy: -96.227
Base-Backbone interact. energy: -2.383
local terms energy: -92.897295
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -17.986
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: -25.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -283.656012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.656012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.656012 (E_RNA)
where:
Base-Base interactions energy: -192.477
where: short stacking energy: -86.984
Base-Backbone interact. energy: -0.199
local terms energy: -90.980386
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -18.321
flat angles C4'-P-C4' energy: -22.654
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -21.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -225.658020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.658020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.658020 (E_RNA)
where:
Base-Base interactions energy: -143.161
where: short stacking energy: -74.391
Base-Backbone interact. energy: -0.214
local terms energy: -82.282468
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -15.115
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: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -206.107950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.107950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.107950 (E_RNA)
where:
Base-Base interactions energy: -121.863
where: short stacking energy: -60.694
Base-Backbone interact. energy: -0.209
local terms energy: -84.035522
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -14.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -213.687110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.687110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.687110 (E_RNA)
where:
Base-Base interactions energy: -142.789
where: short stacking energy: -66.754
Base-Backbone interact. energy: 2.442
local terms energy: -73.339965
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -20.270
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -18.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -175.439119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.439119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.439119 (E_RNA)
where:
Base-Base interactions energy: -110.215
where: short stacking energy: -64.374
Base-Backbone interact. energy: 1.591
local terms energy: -66.814853
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -10.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -106.766490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.766490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.766490 (E_RNA)
where:
Base-Base interactions energy: -42.869
where: short stacking energy: -40.652
Base-Backbone interact. energy: -0.354
local terms energy: -63.543733
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -6.917
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: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -112.983124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.983124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.983124 (E_RNA)
where:
Base-Base interactions energy: -54.716
where: short stacking energy: -44.978
Base-Backbone interact. energy: -0.230
local terms energy: -58.036615
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -103.335152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.335152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.335152 (E_RNA)
where:
Base-Base interactions energy: -46.615
where: short stacking energy: -44.986
Base-Backbone interact. energy: 2.173
local terms energy: -58.893365
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -10.355
flat angles P-C4'-P energy: -8.128
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: 13
Temperature: 1.350000
Total energy: -100.268035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.268035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.268035 (E_RNA)
where:
Base-Base interactions energy: -34.660
where: short stacking energy: -34.660
Base-Backbone interact. energy: -0.046
local terms energy: -65.562211
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -21.071
flat angles P-C4'-P energy: -7.537
tors. eta vs tors. theta energy: -2.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -291.909648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.909648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.909648 (E_RNA)
where:
Base-Base interactions energy: -194.277
where: short stacking energy: -83.633
Base-Backbone interact. energy: -0.032
local terms energy: -97.600015
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -24.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -283.641040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.641040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.641040 (E_RNA)
where:
Base-Base interactions energy: -186.106
where: short stacking energy: -91.622
Base-Backbone interact. energy: -0.366
local terms energy: -97.169315
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -24.665
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: 3, replica: 8
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -224.542751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.542751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.542751 (E_RNA)
where:
Base-Base interactions energy: -140.470
where: short stacking energy: -71.732
Base-Backbone interact. energy: 2.101
local terms energy: -86.173702
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -15.730
tors. eta vs tors. theta energy: -16.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -206.529239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.529239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.529239 (E_RNA)
where:
Base-Base interactions energy: -127.137
where: short stacking energy: -65.847
Base-Backbone interact. energy: -0.581
local terms energy: -78.811143
where:
bonds (distance) C4'-P energy: -21.981
bonds (distance) P-C4' energy: -12.019
flat angles C4'-P-C4' energy: -22.626
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -15.562
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: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -227.590034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.590034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.590034 (E_RNA)
where:
Base-Base interactions energy: -139.322
where: short stacking energy: -66.523
Base-Backbone interact. energy: -0.594
local terms energy: -87.673611
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -23.344
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -18.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -182.395008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.395008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.395008 (E_RNA)
where:
Base-Base interactions energy: -103.912
where: short stacking energy: -67.706
Base-Backbone interact. energy: -0.119
local terms energy: -78.363646
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -10.537
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -19.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -97.795599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.795599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.795599 (E_RNA)
where:
Base-Base interactions energy: -43.109
where: short stacking energy: -32.263
Base-Backbone interact. energy: 0.301
local terms energy: -54.988319
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: 1.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -114.142835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.142835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.142835 (E_RNA)
where:
Base-Base interactions energy: -49.746
where: short stacking energy: -41.531
Base-Backbone interact. energy: -0.390
local terms energy: -64.006412
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -12.191
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -4.034
tors. eta vs tors. theta energy: -13.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -113.357752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.357752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.357752 (E_RNA)
where:
Base-Base interactions energy: -47.069
where: short stacking energy: -47.069
Base-Backbone interact. energy: -0.253
local terms energy: -66.036204
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -6.544
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: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -97.339387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.339387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.339387 (E_RNA)
where:
Base-Base interactions energy: -41.092
where: short stacking energy: -27.354
Base-Backbone interact. energy: 0.533
local terms energy: -56.780353
where:
bonds (distance) C4'-P energy: -8.965
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: 5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -293.971047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.971047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.971047 (E_RNA)
where:
Base-Base interactions energy: -191.005
where: short stacking energy: -97.063
Base-Backbone interact. energy: -2.789
local terms energy: -100.177193
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -21.142
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -29.872
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: 4
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -283.918940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.918940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.918940 (E_RNA)
where:
Base-Base interactions energy: -189.424
where: short stacking energy: -90.384
Base-Backbone interact. energy: -1.582
local terms energy: -92.913154
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -12.017
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: 3, replica: 8
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -248.154814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.154814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.154814 (E_RNA)
where:
Base-Base interactions energy: -163.836
where: short stacking energy: -68.096
Base-Backbone interact. energy: -0.581
local terms energy: -83.738216
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -15.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -237.463410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.463410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.463410 (E_RNA)
where:
Base-Base interactions energy: -157.783
where: short stacking energy: -81.470
Base-Backbone interact. energy: 0.032
local terms energy: -79.711592
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -18.761
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -202.466224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.466224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.466224 (E_RNA)
where:
Base-Base interactions energy: -128.364
where: short stacking energy: -58.520
Base-Backbone interact. energy: -0.030
local terms energy: -74.072468
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -9.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -171.616001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.616001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.616001 (E_RNA)
where:
Base-Base interactions energy: -103.633
where: short stacking energy: -62.210
Base-Backbone interact. energy: -0.082
local terms energy: -67.901218
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -104.014665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.014665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.014665 (E_RNA)
where:
Base-Base interactions energy: -51.695
where: short stacking energy: -34.243
Base-Backbone interact. energy: -0.301
local terms energy: -52.017986
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -5.392
tors. eta vs tors. theta energy: 1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -116.861318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.861318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.861318 (E_RNA)
where:
Base-Base interactions energy: -47.893
where: short stacking energy: -46.140
Base-Backbone interact. energy: -0.097
local terms energy: -68.871160
where:
bonds (distance) C4'-P energy: -14.127
bonds (distance) P-C4' energy: -19.300
flat angles C4'-P-C4' energy: -13.153
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -12.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -103.669520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.669520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.669520 (E_RNA)
where:
Base-Base interactions energy: -37.746
where: short stacking energy: -37.655
Base-Backbone interact. energy: -0.060
local terms energy: -65.863375
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -7.878
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: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -99.189209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.189209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.189209 (E_RNA)
where:
Base-Base interactions energy: -35.052
where: short stacking energy: -28.639
Base-Backbone interact. energy: -0.318
local terms energy: -63.819130
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -297.219633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.219633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.219633 (E_RNA)
where:
Base-Base interactions energy: -195.421
where: short stacking energy: -94.665
Base-Backbone interact. energy: -0.170
local terms energy: -101.629271
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -20.623
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -28.947
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: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -291.820817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.820817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.820817 (E_RNA)
where:
Base-Base interactions energy: -192.992
where: short stacking energy: -103.306
Base-Backbone interact. energy: -0.001
local terms energy: -98.828501
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -8.725
tors. eta vs tors. theta energy: -31.002
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: 8
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -273.690109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.690109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.690109 (E_RNA)
where:
Base-Base interactions energy: -184.687
where: short stacking energy: -84.878
Base-Backbone interact. energy: -0.009
local terms energy: -88.994105
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -19.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -230.143762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.143762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.143762 (E_RNA)
where:
Base-Base interactions energy: -155.227
where: short stacking energy: -71.216
Base-Backbone interact. energy: -0.225
local terms energy: -74.691686
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -11.261
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: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -194.634487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.634487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.634487 (E_RNA)
where:
Base-Base interactions energy: -130.232
where: short stacking energy: -63.311
Base-Backbone interact. energy: 0.798
local terms energy: -65.201121
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -8.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -166.435452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.435452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.435452 (E_RNA)
where:
Base-Base interactions energy: -94.038
where: short stacking energy: -53.344
Base-Backbone interact. energy: -0.810
local terms energy: -71.586887
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -131.671711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.671711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.671711 (E_RNA)
where:
Base-Base interactions energy: -68.374
where: short stacking energy: -45.377
Base-Backbone interact. energy: 0.056
local terms energy: -63.353033
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -19.268
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -4.081
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: 8, replica: 10
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -122.853872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.853872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.853872 (E_RNA)
where:
Base-Base interactions energy: -62.713
where: short stacking energy: -41.170
Base-Backbone interact. energy: 1.001
local terms energy: -61.141256
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -109.648470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.648470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.648470 (E_RNA)
where:
Base-Base interactions energy: -54.032
where: short stacking energy: -40.217
Base-Backbone interact. energy: 0.379
local terms energy: -55.995503
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -21.157
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -4.413
tors. eta vs tors. theta energy: -2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -101.834009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.834009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.834009 (E_RNA)
where:
Base-Base interactions energy: -41.640
where: short stacking energy: -33.652
Base-Backbone interact. energy: -0.186
local terms energy: -60.007973
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -5.665
tors. eta vs tors. theta energy: -3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -295.815518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.815518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.815518 (E_RNA)
where:
Base-Base interactions energy: -193.466
where: short stacking energy: -96.442
Base-Backbone interact. energy: -0.098
local terms energy: -102.252338
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -14.546
tors. eta vs tors. theta energy: -29.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -270.915348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.915348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.915348 (E_RNA)
where:
Base-Base interactions energy: -178.973
where: short stacking energy: -87.039
Base-Backbone interact. energy: -0.001
local terms energy: -91.941056
where:
bonds (distance) C4'-P energy: -20.387
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -19.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -283.757570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.757570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.757570 (E_RNA)
where:
Base-Base interactions energy: -186.917
where: short stacking energy: -85.328
Base-Backbone interact. energy: 1.317
local terms energy: -98.157678
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -19.243
flat angles P-C4'-P energy: -16.633
tors. eta vs tors. theta energy: -24.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -230.929359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.929359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.929359 (E_RNA)
where:
Base-Base interactions energy: -139.748
where: short stacking energy: -74.788
Base-Backbone interact. energy: -0.823
local terms energy: -90.358587
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -19.747
flat angles C4'-P-C4' energy: -19.551
flat angles P-C4'-P energy: -12.019
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: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -192.758685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.758685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.758685 (E_RNA)
where:
Base-Base interactions energy: -115.180
where: short stacking energy: -55.995
Base-Backbone interact. energy: 0.047
local terms energy: -77.626394
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -119.064355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.064355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.064355 (E_RNA)
where:
Base-Base interactions energy: -45.609
where: short stacking energy: -38.267
Base-Backbone interact. energy: -0.252
local terms energy: -73.203573
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -175.030674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.030674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.030674 (E_RNA)
where:
Base-Base interactions energy: -105.866
where: short stacking energy: -57.376
Base-Backbone interact. energy: -0.581
local terms energy: -68.582881
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -5.366
tors. eta vs tors. theta energy: -7.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -110.995024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.995024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.995024 (E_RNA)
where:
Base-Base interactions energy: -52.388
where: short stacking energy: -29.516
Base-Backbone interact. energy: -1.523
local terms energy: -57.083845
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -13.167
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: 0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -102.450172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.450172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.450172 (E_RNA)
where:
Base-Base interactions energy: -40.210
where: short stacking energy: -35.309
Base-Backbone interact. energy: -0.062
local terms energy: -62.178314
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -14.214
flat angles C4'-P-C4' energy: -19.473
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -97.479860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.479860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.479860 (E_RNA)
where:
Base-Base interactions energy: -34.559
where: short stacking energy: -34.559
Base-Backbone interact. energy: -0.240
local terms energy: -62.680491
where:
bonds (distance) C4'-P energy: -14.212
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -4.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -292.059027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.059027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.059027 (E_RNA)
where:
Base-Base interactions energy: -193.893
where: short stacking energy: -83.590
Base-Backbone interact. energy: -0.074
local terms energy: -98.091885
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -26.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -268.708308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.708308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.708308 (E_RNA)
where:
Base-Base interactions energy: -175.726
where: short stacking energy: -85.209
Base-Backbone interact. energy: -0.044
local terms energy: -92.938665
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -275.806290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.806290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.806290 (E_RNA)
where:
Base-Base interactions energy: -176.960
where: short stacking energy: -78.964
Base-Backbone interact. energy: -0.050
local terms energy: -98.796974
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -23.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -219.046320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.046320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.046320 (E_RNA)
where:
Base-Base interactions energy: -136.958
where: short stacking energy: -65.321
Base-Backbone interact. energy: -1.173
local terms energy: -80.914836
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -178.851862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.851862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.851862 (E_RNA)
where:
Base-Base interactions energy: -96.002
where: short stacking energy: -49.114
Base-Backbone interact. energy: -1.232
local terms energy: -81.617536
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -13.650
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: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -143.240102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.240102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.240102 (E_RNA)
where:
Base-Base interactions energy: -69.877
where: short stacking energy: -61.717
Base-Backbone interact. energy: -0.152
local terms energy: -73.211480
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -19.255
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -14.381
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: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -187.099742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.099742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.099742 (E_RNA)
where:
Base-Base interactions energy: -103.801
where: short stacking energy: -49.417
Base-Backbone interact. energy: -0.708
local terms energy: -82.590848
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -12.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -111.752424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.752424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.752424 (E_RNA)
where:
Base-Base interactions energy: -53.966
where: short stacking energy: -33.653
Base-Backbone interact. energy: -0.193
local terms energy: -57.593989
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -6.927
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -97.934965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.934965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.934965 (E_RNA)
where:
Base-Base interactions energy: -32.774
where: short stacking energy: -30.657
Base-Backbone interact. energy: 0.648
local terms energy: -65.809001
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -17.926
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -100.672186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.672186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.672186 (E_RNA)
where:
Base-Base interactions energy: -43.724
where: short stacking energy: -26.928
Base-Backbone interact. energy: -0.956
local terms energy: -55.992471
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -4.917
tors. eta vs tors. theta energy: -3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -297.868925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.868925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.868925 (E_RNA)
where:
Base-Base interactions energy: -203.662
where: short stacking energy: -86.627
Base-Backbone interact. energy: -0.060
local terms energy: -94.147264
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -20.120
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -20.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -279.531101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.531101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.531101 (E_RNA)
where:
Base-Base interactions energy: -183.064
where: short stacking energy: -94.625
Base-Backbone interact. energy: -2.120
local terms energy: -94.347319
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -19.723
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -25.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -284.374536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.374536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.374536 (E_RNA)
where:
Base-Base interactions energy: -184.421
where: short stacking energy: -94.754
Base-Backbone interact. energy: -0.005
local terms energy: -99.948573
where:
bonds (distance) C4'-P energy: -19.920
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -19.134
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -27.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -225.092979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.092979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.092979 (E_RNA)
where:
Base-Base interactions energy: -140.220
where: short stacking energy: -72.340
Base-Backbone interact. energy: -0.157
local terms energy: -84.716056
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -19.908
flat angles P-C4'-P energy: -8.774
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -224.992448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.992448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.992448 (E_RNA)
where:
Base-Base interactions energy: -150.305
where: short stacking energy: -75.799
Base-Backbone interact. energy: -0.464
local terms energy: -74.223057
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -13.386
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: 6, replica: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -174.954321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.954321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.954321 (E_RNA)
where:
Base-Base interactions energy: -100.100
where: short stacking energy: -63.042
Base-Backbone interact. energy: -0.199
local terms energy: -74.654348
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -22.650
flat angles P-C4'-P energy: -8.789
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -124.284446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.284446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.284446 (E_RNA)
where:
Base-Base interactions energy: -54.473
where: short stacking energy: -52.150
Base-Backbone interact. energy: -0.105
local terms energy: -69.705652
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -111.939498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.939498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.939498 (E_RNA)
where:
Base-Base interactions energy: -43.111
where: short stacking energy: -43.111
Base-Backbone interact. energy: 1.749
local terms energy: -70.577941
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -11.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -112.539546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.539546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.539546 (E_RNA)
where:
Base-Base interactions energy: -43.524
where: short stacking energy: -39.597
Base-Backbone interact. energy: -0.538
local terms energy: -68.477779
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -96.139095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.139095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.139095 (E_RNA)
where:
Base-Base interactions energy: -47.124
where: short stacking energy: -34.396
Base-Backbone interact. energy: 0.534
local terms energy: -49.548892
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -12.736
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: 1.765
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: 4
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -298.080739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.080739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.080739 (E_RNA)
where:
Base-Base interactions energy: -203.006
where: short stacking energy: -86.152
Base-Backbone interact. energy: -0.062
local terms energy: -95.011927
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -19.711
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: 2, replica: 8
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -282.535818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.535818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.535818 (E_RNA)
where:
Base-Base interactions energy: -185.042
where: short stacking energy: -93.623
Base-Backbone interact. energy: 2.525
local terms energy: -100.018279
where:
bonds (distance) C4'-P energy: -18.439
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -12.856
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: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -290.442114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.442114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.442114 (E_RNA)
where:
Base-Base interactions energy: -194.442
where: short stacking energy: -90.444
Base-Backbone interact. energy: -0.361
local terms energy: -95.639513
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -22.272
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -24.940
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: 1
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -229.723704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.723704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.723704 (E_RNA)
where:
Base-Base interactions energy: -150.433
where: short stacking energy: -78.340
Base-Backbone interact. energy: 0.095
local terms energy: -79.385454
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -9.470
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: 3
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -233.103279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.103279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.103279 (E_RNA)
where:
Base-Base interactions energy: -153.708
where: short stacking energy: -72.204
Base-Backbone interact. energy: -0.144
local terms energy: -79.251083
where:
bonds (distance) C4'-P energy: -12.053
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -11.612
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -21.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -179.750120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.750120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.750120 (E_RNA)
where:
Base-Base interactions energy: -103.058
where: short stacking energy: -62.589
Base-Backbone interact. energy: -0.175
local terms energy: -76.516991
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -18.122
flat angles P-C4'-P energy: -14.481
tors. eta vs tors. theta energy: -14.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -118.767593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.767593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.767593 (E_RNA)
where:
Base-Base interactions energy: -44.868
where: short stacking energy: -30.571
Base-Backbone interact. energy: -0.384
local terms energy: -73.516554
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -20.980
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -3.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -105.129625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.129625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.129625 (E_RNA)
where:
Base-Base interactions energy: -39.980
where: short stacking energy: -39.914
Base-Backbone interact. energy: -0.150
local terms energy: -64.999762
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -7.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -96.828105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.828105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.828105 (E_RNA)
where:
Base-Base interactions energy: -32.262
where: short stacking energy: -20.421
Base-Backbone interact. energy: -0.023
local terms energy: -64.542981
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -0.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -91.703596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.703596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.703596 (E_RNA)
where:
Base-Base interactions energy: -32.993
where: short stacking energy: -30.158
Base-Backbone interact. energy: -0.116
local terms energy: -58.594762
where:
bonds (distance) C4'-P energy: -10.725
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -298.822639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.822639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.822639 (E_RNA)
where:
Base-Base interactions energy: -203.588
where: short stacking energy: -92.369
Base-Backbone interact. energy: -0.748
local terms energy: -94.486851
where:
bonds (distance) C4'-P energy: -21.017
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -25.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -290.790147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.790147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.790147 (E_RNA)
where:
Base-Base interactions energy: -193.478
where: short stacking energy: -95.034
Base-Backbone interact. energy: 0.260
local terms energy: -97.572080
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -15.648
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: 3, replica: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -272.280971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.280971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.280971 (E_RNA)
where:
Base-Base interactions energy: -176.829
where: short stacking energy: -86.216
Base-Backbone interact. energy: -0.334
local terms energy: -95.118037
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -23.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -230.882645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.882645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.882645 (E_RNA)
where:
Base-Base interactions energy: -147.387
where: short stacking energy: -67.216
Base-Backbone interact. energy: -0.126
local terms energy: -83.370013
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -20.526
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -252.508466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.508466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.508466 (E_RNA)
where:
Base-Base interactions energy: -172.162
where: short stacking energy: -77.639
Base-Backbone interact. energy: -0.131
local terms energy: -80.215785
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -7.182
tors. eta vs tors. theta energy: -18.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -183.908509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.908509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.908509 (E_RNA)
where:
Base-Base interactions energy: -111.861
where: short stacking energy: -70.342
Base-Backbone interact. energy: -0.096
local terms energy: -71.951790
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -10.386
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -19.265
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: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -140.696075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.696075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.696075 (E_RNA)
where:
Base-Base interactions energy: -53.253
where: short stacking energy: -45.945
Base-Backbone interact. energy: -0.313
local terms energy: -87.129692
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -20.897
flat angles P-C4'-P energy: -15.873
tors. eta vs tors. theta energy: -10.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -116.085545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.085545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.085545 (E_RNA)
where:
Base-Base interactions energy: -44.835
where: short stacking energy: -31.663
Base-Backbone interact. energy: -0.369
local terms energy: -70.881027
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -7.336
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: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -102.129775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.129775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.129775 (E_RNA)
where:
Base-Base interactions energy: -29.759
where: short stacking energy: -28.569
Base-Backbone interact. energy: 0.086
local terms energy: -72.456285
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -4.984
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: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -103.927113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.927113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.927113 (E_RNA)
where:
Base-Base interactions energy: -36.719
where: short stacking energy: -32.645
Base-Backbone interact. energy: 0.829
local terms energy: -68.037613
where:
bonds (distance) C4'-P energy: -16.210
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -20.060
flat angles P-C4'-P energy: -8.991
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: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -307.069310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.069310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.069310 (E_RNA)
where:
Base-Base interactions energy: -212.554
where: short stacking energy: -93.062
Base-Backbone interact. energy: -0.214
local terms energy: -94.302126
where:
bonds (distance) C4'-P energy: -22.818
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -11.311
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: 2, replica: 8
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -287.713954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.713954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.713954 (E_RNA)
where:
Base-Base interactions energy: -193.112
where: short stacking energy: -96.729
Base-Backbone interact. energy: -0.113
local terms energy: -94.489136
where:
bonds (distance) C4'-P energy: -16.171
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -25.341
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: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -277.205502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.205502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.205502 (E_RNA)
where:
Base-Base interactions energy: -183.164
where: short stacking energy: -82.794
Base-Backbone interact. energy: -0.130
local terms energy: -93.911226
where:
bonds (distance) C4'-P energy: -18.293
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -17.267
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -26.030
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: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -218.683270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.683270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.683270 (E_RNA)
where:
Base-Base interactions energy: -138.465
where: short stacking energy: -69.564
Base-Backbone interact. energy: 0.315
local terms energy: -80.533513
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -242.169949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.169949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.169949 (E_RNA)
where:
Base-Base interactions energy: -161.299
where: short stacking energy: -74.698
Base-Backbone interact. energy: -0.643
local terms energy: -80.228669
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -19.491
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: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -175.978875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.978875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.978875 (E_RNA)
where:
Base-Base interactions energy: -96.377
where: short stacking energy: -49.778
Base-Backbone interact. energy: -0.765
local terms energy: -78.836171
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -109.331707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.331707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.331707 (E_RNA)
where:
Base-Base interactions energy: -45.326
where: short stacking energy: -42.877
Base-Backbone interact. energy: -0.630
local terms energy: -63.375910
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -10.372
flat angles P-C4'-P energy: -7.760
tors. eta vs tors. theta energy: -10.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -120.993582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.993582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.993582 (E_RNA)
where:
Base-Base interactions energy: -55.237
where: short stacking energy: -41.775
Base-Backbone interact. energy: -0.306
local terms energy: -65.450842
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -5.140
tors. eta vs tors. theta energy: -11.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -104.003675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.003675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.003675 (E_RNA)
where:
Base-Base interactions energy: -44.371
where: short stacking energy: -29.693
Base-Backbone interact. energy: -2.265
local terms energy: -57.367584
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: 0.404
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: 10, replica: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -91.524949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.524949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.524949 (E_RNA)
where:
Base-Base interactions energy: -26.783
where: short stacking energy: -26.550
Base-Backbone interact. energy: 0.095
local terms energy: -64.836162
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -22.716
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -12.532
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: 1, replica: 4
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -305.209874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.209874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.209874 (E_RNA)
where:
Base-Base interactions energy: -207.563
where: short stacking energy: -93.166
Base-Backbone interact. energy: -0.036
local terms energy: -97.610947
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -19.987
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -26.008
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: 8
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -283.165912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.165912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.165912 (E_RNA)
where:
Base-Base interactions energy: -189.027
where: short stacking energy: -89.887
Base-Backbone interact. energy: 0.101
local terms energy: -94.239412
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -20.599
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -277.796714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.796714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.796714 (E_RNA)
where:
Base-Base interactions energy: -184.632
where: short stacking energy: -88.122
Base-Backbone interact. energy: -0.092
local terms energy: -93.071984
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -21.213
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -25.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -237.607274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.607274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.607274 (E_RNA)
where:
Base-Base interactions energy: -155.863
where: short stacking energy: -73.106
Base-Backbone interact. energy: -0.376
local terms energy: -81.368872
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -21.781
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -6.883
tors. eta vs tors. theta energy: -18.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -188.139633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.139633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.139633 (E_RNA)
where:
Base-Base interactions energy: -110.216
where: short stacking energy: -50.577
Base-Backbone interact. energy: -0.184
local terms energy: -77.739145
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -10.974
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: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -173.246611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.246611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.246611 (E_RNA)
where:
Base-Base interactions energy: -102.888
where: short stacking energy: -57.641
Base-Backbone interact. energy: -0.323
local terms energy: -70.034932
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -9.403
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: 7, replica: 10
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -111.731954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.731954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.731954 (E_RNA)
where:
Base-Base interactions energy: -41.689
where: short stacking energy: -34.150
Base-Backbone interact. energy: -0.148
local terms energy: -69.895306
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -101.074169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.074169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.074169 (E_RNA)
where:
Base-Base interactions energy: -38.758
where: short stacking energy: -29.367
Base-Backbone interact. energy: -0.789
local terms energy: -61.527022
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -10.209
tors. eta vs tors. theta energy: -3.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -109.453193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.453193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.453193 (E_RNA)
where:
Base-Base interactions energy: -32.702
where: short stacking energy: -32.702
Base-Backbone interact. energy: -0.548
local terms energy: -76.203249
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -16.625
tors. eta vs tors. theta energy: -7.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -94.886619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.886619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.886619 (E_RNA)
where:
Base-Base interactions energy: -43.693
where: short stacking energy: -32.427
Base-Backbone interact. energy: -0.615
local terms energy: -50.578135
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: 1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -285.354848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.354848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.354848 (E_RNA)
where:
Base-Base interactions energy: -183.968
where: short stacking energy: -85.581
Base-Backbone interact. energy: -0.316
local terms energy: -101.071043
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -23.427
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: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -305.639867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.639867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.639867 (E_RNA)
where:
Base-Base interactions energy: -208.485
where: short stacking energy: -90.589
Base-Backbone interact. energy: -0.437
local terms energy: -96.717446
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -16.370
tors. eta vs tors. theta energy: -24.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -277.014286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.014286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.014286 (E_RNA)
where:
Base-Base interactions energy: -195.023
where: short stacking energy: -85.718
Base-Backbone interact. energy: -0.147
local terms energy: -81.844117
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -17.651
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -14.207
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: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -247.428230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.428230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.428230 (E_RNA)
where:
Base-Base interactions energy: -168.593
where: short stacking energy: -71.443
Base-Backbone interact. energy: -0.351
local terms energy: -78.484127
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -18.101
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -18.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -189.529180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.529180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.529180 (E_RNA)
where:
Base-Base interactions energy: -107.361
where: short stacking energy: -61.845
Base-Backbone interact. energy: -0.440
local terms energy: -81.728217
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -22.445
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -14.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -179.971345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.971345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.971345 (E_RNA)
where:
Base-Base interactions energy: -103.287
where: short stacking energy: -60.549
Base-Backbone interact. energy: -1.139
local terms energy: -75.545177
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -15.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -117.565706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.565706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.565706 (E_RNA)
where:
Base-Base interactions energy: -38.280
where: short stacking energy: -38.280
Base-Backbone interact. energy: -0.292
local terms energy: -78.993885
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -12.312
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -97.835842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.835842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.835842 (E_RNA)
where:
Base-Base interactions energy: -42.274
where: short stacking energy: -40.479
Base-Backbone interact. energy: -0.292
local terms energy: -55.270531
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -95.036411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.036411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.036411 (E_RNA)
where:
Base-Base interactions energy: -35.407
where: short stacking energy: -29.301
Base-Backbone interact. energy: -0.421
local terms energy: -59.208058
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: 2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -98.216409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.216409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.216409 (E_RNA)
where:
Base-Base interactions energy: -36.415
where: short stacking energy: -33.908
Base-Backbone interact. energy: -0.642
local terms energy: -61.160100
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -19.250
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -10.842
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -291.589088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.589088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.589088 (E_RNA)
where:
Base-Base interactions energy: -201.495
where: short stacking energy: -92.426
Base-Backbone interact. energy: -0.112
local terms energy: -89.982281
where:
bonds (distance) C4'-P energy: -20.391
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -12.921
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -22.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -281.292206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.292206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.292206 (E_RNA)
where:
Base-Base interactions energy: -182.704
where: short stacking energy: -84.577
Base-Backbone interact. energy: -0.010
local terms energy: -98.578227
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -303.589959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.589959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.589959 (E_RNA)
where:
Base-Base interactions energy: -208.354
where: short stacking energy: -91.199
Base-Backbone interact. energy: -0.292
local terms energy: -94.943464
where:
bonds (distance) C4'-P energy: -21.067
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -23.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -240.400508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.400508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.400508 (E_RNA)
where:
Base-Base interactions energy: -151.408
where: short stacking energy: -66.317
Base-Backbone interact. energy: -0.022
local terms energy: -88.970552
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -20.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -207.994531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.994531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.994531 (E_RNA)
where:
Base-Base interactions energy: -131.157
where: short stacking energy: -52.794
Base-Backbone interact. energy: -0.239
local terms energy: -76.598781
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -187.718586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.718586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.718586 (E_RNA)
where:
Base-Base interactions energy: -115.287
where: short stacking energy: -64.810
Base-Backbone interact. energy: 0.218
local terms energy: -72.649404
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -10.039
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -110.733182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.733182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.733182 (E_RNA)
where:
Base-Base interactions energy: -49.823
where: short stacking energy: -40.239
Base-Backbone interact. energy: -0.429
local terms energy: -60.481054
where:
bonds (distance) C4'-P energy: -11.971
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -3.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -109.304774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.304774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.304774 (E_RNA)
where:
Base-Base interactions energy: -40.175
where: short stacking energy: -37.016
Base-Backbone interact. energy: -0.076
local terms energy: -69.053897
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -15.258
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -102.743012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.743012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.743012 (E_RNA)
where:
Base-Base interactions energy: -34.714
where: short stacking energy: -31.160
Base-Backbone interact. energy: 0.232
local terms energy: -68.260885
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -7.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -95.484336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.484336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.484336 (E_RNA)
where:
Base-Base interactions energy: -42.155
where: short stacking energy: -38.515
Base-Backbone interact. energy: 0.352
local terms energy: -53.680613
where:
bonds (distance) C4'-P energy: -7.652
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -14.508
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -6.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -291.692195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.692195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.692195 (E_RNA)
where:
Base-Base interactions energy: -198.003
where: short stacking energy: -88.045
Base-Backbone interact. energy: -0.135
local terms energy: -93.554912
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -23.437
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -23.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -281.746158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.746158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.746158 (E_RNA)
where:
Base-Base interactions energy: -195.486
where: short stacking energy: -90.612
Base-Backbone interact. energy: -0.119
local terms energy: -86.142071
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -19.807
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -9.643
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: 3, replica: 4
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -283.557488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.557488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.557488 (E_RNA)
where:
Base-Base interactions energy: -187.910
where: short stacking energy: -92.238
Base-Backbone interact. energy: -1.616
local terms energy: -94.031767
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -30.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -217.521761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.521761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.521761 (E_RNA)
where:
Base-Base interactions energy: -136.871
where: short stacking energy: -65.020
Base-Backbone interact. energy: -0.147
local terms energy: -80.503460
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -225.276726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.276726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.276726 (E_RNA)
where:
Base-Base interactions energy: -149.882
where: short stacking energy: -63.410
Base-Backbone interact. energy: -0.040
local terms energy: -75.354971
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -16.058
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: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -175.159225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.159225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.159225 (E_RNA)
where:
Base-Base interactions energy: -96.397
where: short stacking energy: -58.757
Base-Backbone interact. energy: -0.216
local terms energy: -78.546448
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -11.553
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: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -127.715564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.715564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.715564 (E_RNA)
where:
Base-Base interactions energy: -58.368
where: short stacking energy: -37.509
Base-Backbone interact. energy: 0.011
local terms energy: -69.358638
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -7.724
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: 8, replica: 9
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -137.870121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.870121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.870121 (E_RNA)
where:
Base-Base interactions energy: -84.101
where: short stacking energy: -48.989
Base-Backbone interact. energy: 0.500
local terms energy: -54.269576
where:
bonds (distance) C4'-P energy: -8.076
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -2.850
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: 10
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -106.933879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.933879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.933879 (E_RNA)
where:
Base-Base interactions energy: -43.542
where: short stacking energy: -33.494
Base-Backbone interact. energy: -1.498
local terms energy: -61.893257
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -0.554
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: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -96.945630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.945630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.945630 (E_RNA)
where:
Base-Base interactions energy: -40.777
where: short stacking energy: -37.468
Base-Backbone interact. energy: -0.051
local terms energy: -56.117066
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -289.971519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.971519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.971519 (E_RNA)
where:
Base-Base interactions energy: -200.238
where: short stacking energy: -75.610
Base-Backbone interact. energy: -0.226
local terms energy: -89.508140
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -21.526
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -12.625
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: 2, replica: 8
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -280.145604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.145604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.145604 (E_RNA)
where:
Base-Base interactions energy: -186.577
where: short stacking energy: -82.681
Base-Backbone interact. energy: -0.160
local terms energy: -93.409112
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -19.780
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -20.854
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: 4
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -282.344076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.344076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.344076 (E_RNA)
where:
Base-Base interactions energy: -185.382
where: short stacking energy: -84.898
Base-Backbone interact. energy: -0.123
local terms energy: -96.839002
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -21.645
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -26.286
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: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -234.614971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.614971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.614971 (E_RNA)
where:
Base-Base interactions energy: -149.808
where: short stacking energy: -76.180
Base-Backbone interact. energy: -0.159
local terms energy: -84.647212
where:
bonds (distance) C4'-P energy: -15.958
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -20.933
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -216.729073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.729073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.729073 (E_RNA)
where:
Base-Base interactions energy: -133.331
where: short stacking energy: -67.394
Base-Backbone interact. energy: 2.400
local terms energy: -85.798727
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -21.487
flat angles C4'-P-C4' energy: -16.412
flat angles P-C4'-P energy: -14.016
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: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -204.121757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.121757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.121757 (E_RNA)
where:
Base-Base interactions energy: -131.284
where: short stacking energy: -61.158
Base-Backbone interact. energy: -0.328
local terms energy: -72.509703
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -10.145
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: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -116.343068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.343068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.343068 (E_RNA)
where:
Base-Base interactions energy: -50.356
where: short stacking energy: -50.356
Base-Backbone interact. energy: -0.171
local terms energy: -65.815943
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -130.431871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.431871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.431871 (E_RNA)
where:
Base-Base interactions energy: -59.880
where: short stacking energy: -30.160
Base-Backbone interact. energy: -0.004
local terms energy: -70.548731
where:
bonds (distance) C4'-P energy: -19.380
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: 0.208
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: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -92.926247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.926247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.926247 (E_RNA)
where:
Base-Base interactions energy: -33.044
where: short stacking energy: -27.961
Base-Backbone interact. energy: 0.041
local terms energy: -59.923425
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -16.291
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: 2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -88.509572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.509572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.509572 (E_RNA)
where:
Base-Base interactions energy: -30.568
where: short stacking energy: -23.910
Base-Backbone interact. energy: 0.455
local terms energy: -58.396099
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -13.708
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: 1, replica: 8
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -293.522361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.522361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.522361 (E_RNA)
where:
Base-Base interactions energy: -194.572
where: short stacking energy: -86.776
Base-Backbone interact. energy: -0.015
local terms energy: -98.935820
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -21.883
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -20.203
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -296.290591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.290591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.290591 (E_RNA)
where:
Base-Base interactions energy: -200.465
where: short stacking energy: -83.298
Base-Backbone interact. energy: -1.086
local terms energy: -94.739565
where:
bonds (distance) C4'-P energy: -18.371
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -290.653762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.653762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.653762 (E_RNA)
where:
Base-Base interactions energy: -195.710
where: short stacking energy: -87.182
Base-Backbone interact. energy: -0.103
local terms energy: -94.841683
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -21.489
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -24.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -221.720314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.720314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.720314 (E_RNA)
where:
Base-Base interactions energy: -144.685
where: short stacking energy: -63.890
Base-Backbone interact. energy: -0.818
local terms energy: -76.217734
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -14.155
tors. eta vs tors. theta energy: -12.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -229.117786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.117786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.117786 (E_RNA)
where:
Base-Base interactions energy: -141.482
where: short stacking energy: -75.643
Base-Backbone interact. energy: -0.699
local terms energy: -86.937077
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -21.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -192.105943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.105943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.105943 (E_RNA)
where:
Base-Base interactions energy: -119.848
where: short stacking energy: -54.540
Base-Backbone interact. energy: -0.601
local terms energy: -71.656685
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -15.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -118.270384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.270384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.270384 (E_RNA)
where:
Base-Base interactions energy: -52.104
where: short stacking energy: -52.104
Base-Backbone interact. energy: -0.192
local terms energy: -65.974155
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -7.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -164.092934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.092934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.092934 (E_RNA)
where:
Base-Base interactions energy: -103.796
where: short stacking energy: -50.645
Base-Backbone interact. energy: -0.729
local terms energy: -59.567957
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -3.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -97.400623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.400623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.400623 (E_RNA)
where:
Base-Base interactions energy: -38.485
where: short stacking energy: -38.485
Base-Backbone interact. energy: -0.232
local terms energy: -58.683360
where:
bonds (distance) C4'-P energy: -9.275
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -9.884
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: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -94.985282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.985282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.985282 (E_RNA)
where:
Base-Base interactions energy: -34.931
where: short stacking energy: -26.857
Base-Backbone interact. energy: -0.238
local terms energy: -59.815936
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -13.848
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -0.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -299.109467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.109467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.109467 (E_RNA)
where:
Base-Base interactions energy: -202.328
where: short stacking energy: -92.625
Base-Backbone interact. energy: -0.261
local terms energy: -96.520505
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -12.462
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: 4
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -306.052002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.052002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.052002 (E_RNA)
where:
Base-Base interactions energy: -197.712
where: short stacking energy: -100.255
Base-Backbone interact. energy: -0.567
local terms energy: -107.772879
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -16.250
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: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -275.157105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.157105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.157105 (E_RNA)
where:
Base-Base interactions energy: -186.581
where: short stacking energy: -80.108
Base-Backbone interact. energy: -0.221
local terms energy: -88.355000
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -14.954
tors. eta vs tors. theta energy: -24.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -217.691499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.691499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.691499 (E_RNA)
where:
Base-Base interactions energy: -139.955
where: short stacking energy: -62.378
Base-Backbone interact. energy: -0.494
local terms energy: -77.242672
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -11.291
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: 5, replica: 1
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -219.647998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.647998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.647998 (E_RNA)
where:
Base-Base interactions energy: -134.131
where: short stacking energy: -64.352
Base-Backbone interact. energy: -0.525
local terms energy: -84.992128
where:
bonds (distance) C4'-P energy: -19.129
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -10.880
tors. eta vs tors. theta energy: -17.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -118.522769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.522769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.522769 (E_RNA)
where:
Base-Base interactions energy: -48.357
where: short stacking energy: -42.373
Base-Backbone interact. energy: -0.029
local terms energy: -70.136573
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -20.054
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -7.174
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: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -193.722523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.722523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.722523 (E_RNA)
where:
Base-Base interactions energy: -115.618
where: short stacking energy: -52.172
Base-Backbone interact. energy: -0.348
local terms energy: -77.757126
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -7.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -195.719242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.719242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.719242 (E_RNA)
where:
Base-Base interactions energy: -129.337
where: short stacking energy: -65.673
Base-Backbone interact. energy: -0.145
local terms energy: -66.237619
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -8.904
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -11.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -91.505863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.505863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.505863 (E_RNA)
where:
Base-Base interactions energy: -39.110
where: short stacking energy: -33.415
Base-Backbone interact. energy: -0.018
local terms energy: -52.377719
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -7.869
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -105.841592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.841592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.841592 (E_RNA)
where:
Base-Base interactions energy: -43.752
where: short stacking energy: -42.159
Base-Backbone interact. energy: -0.351
local terms energy: -61.739069
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -0.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -295.577035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.577035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.577035 (E_RNA)
where:
Base-Base interactions energy: -203.775
where: short stacking energy: -97.716
Base-Backbone interact. energy: -0.074
local terms energy: -91.727654
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -25.358
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: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -293.266501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.266501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.266501 (E_RNA)
where:
Base-Base interactions energy: -193.665
where: short stacking energy: -88.837
Base-Backbone interact. energy: -0.002
local terms energy: -99.599834
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -17.754
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -25.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -290.361588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.361588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.361588 (E_RNA)
where:
Base-Base interactions energy: -195.126
where: short stacking energy: -77.530
Base-Backbone interact. energy: -0.195
local terms energy: -95.040563
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -22.691
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -259.448160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.448160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.448160 (E_RNA)
where:
Base-Base interactions energy: -174.247
where: short stacking energy: -79.726
Base-Backbone interact. energy: -0.361
local terms energy: -84.840861
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -212.580233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.580233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.580233 (E_RNA)
where:
Base-Base interactions energy: -135.349
where: short stacking energy: -63.100
Base-Backbone interact. energy: 0.839
local terms energy: -78.069966
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -20.321
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -15.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -120.542284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.542284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.542284 (E_RNA)
where:
Base-Base interactions energy: -53.310
where: short stacking energy: -40.081
Base-Backbone interact. energy: -0.319
local terms energy: -66.913040
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -181.736532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.736532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.736532 (E_RNA)
where:
Base-Base interactions energy: -107.831
where: short stacking energy: -61.504
Base-Backbone interact. energy: -0.117
local terms energy: -73.788598
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -13.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -152.481487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.481487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.481487 (E_RNA)
where:
Base-Base interactions energy: -88.203
where: short stacking energy: -52.513
Base-Backbone interact. energy: -0.876
local terms energy: -63.402756
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -103.847540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.847540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.847540 (E_RNA)
where:
Base-Base interactions energy: -41.467
where: short stacking energy: -41.131
Base-Backbone interact. energy: 0.854
local terms energy: -63.234378
where:
bonds (distance) C4'-P energy: -13.371
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -15.753
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -6.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -103.998333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.998333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.998333 (E_RNA)
where:
Base-Base interactions energy: -34.458
where: short stacking energy: -32.027
Base-Backbone interact. energy: 1.906
local terms energy: -71.447286
where:
bonds (distance) C4'-P energy: -19.042
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -10.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -286.972280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.972280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.972280 (E_RNA)
where:
Base-Base interactions energy: -198.054
where: short stacking energy: -86.452
Base-Backbone interact. energy: -0.118
local terms energy: -88.800069
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -3.222
tors. eta vs tors. theta energy: -26.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -293.828026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.828026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.828026 (E_RNA)
where:
Base-Base interactions energy: -198.541
where: short stacking energy: -87.450
Base-Backbone interact. energy: -0.572
local terms energy: -94.715578
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -15.070
tors. eta vs tors. theta energy: -25.662
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: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -283.628558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.628558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.628558 (E_RNA)
where:
Base-Base interactions energy: -196.026
where: short stacking energy: -91.857
Base-Backbone interact. energy: -0.359
local terms energy: -87.243568
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -27.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -229.320903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.320903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.320903 (E_RNA)
where:
Base-Base interactions energy: -148.967
where: short stacking energy: -69.132
Base-Backbone interact. energy: -0.279
local terms energy: -80.075354
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -13.111
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -250.790635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.790635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.790635 (E_RNA)
where:
Base-Base interactions energy: -164.998
where: short stacking energy: -77.640
Base-Backbone interact. energy: -0.703
local terms energy: -85.088902
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -21.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -211.614737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.614737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.614737 (E_RNA)
where:
Base-Base interactions energy: -137.995
where: short stacking energy: -56.398
Base-Backbone interact. energy: -0.723
local terms energy: -72.896090
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -19.761
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -5.231
tors. eta vs tors. theta energy: -10.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -133.592232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.592232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.592232 (E_RNA)
where:
Base-Base interactions energy: -59.016
where: short stacking energy: -46.380
Base-Backbone interact. energy: -0.480
local terms energy: -74.096497
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -12.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -115.204673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.204673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.204673 (E_RNA)
where:
Base-Base interactions energy: -52.744
where: short stacking energy: -44.645
Base-Backbone interact. energy: 0.794
local terms energy: -63.255431
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -6.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -165.577199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.577199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.577199 (E_RNA)
where:
Base-Base interactions energy: -88.230
where: short stacking energy: -37.216
Base-Backbone interact. energy: -0.532
local terms energy: -76.814856
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -101.884834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.884834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.884834 (E_RNA)
where:
Base-Base interactions energy: -37.585
where: short stacking energy: -33.895
Base-Backbone interact. energy: -1.088
local terms energy: -63.211623
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -307.014856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.014856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.014856 (E_RNA)
where:
Base-Base interactions energy: -206.494
where: short stacking energy: -90.526
Base-Backbone interact. energy: -0.029
local terms energy: -100.491340
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -27.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -289.968589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.968589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.968589 (E_RNA)
where:
Base-Base interactions energy: -188.913
where: short stacking energy: -85.689
Base-Backbone interact. energy: -0.171
local terms energy: -100.883811
where:
bonds (distance) C4'-P energy: -20.473
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -24.660
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: 4
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -289.925539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.925539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.925539 (E_RNA)
where:
Base-Base interactions energy: -196.783
where: short stacking energy: -93.716
Base-Backbone interact. energy: 0.169
local terms energy: -93.311701
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -24.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -221.850711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.850711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.850711 (E_RNA)
where:
Base-Base interactions energy: -143.562
where: short stacking energy: -71.679
Base-Backbone interact. energy: -0.143
local terms energy: -78.145470
where:
bonds (distance) C4'-P energy: -13.168
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -10.079
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: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -238.496834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.496834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.496834 (E_RNA)
where:
Base-Base interactions energy: -164.295
where: short stacking energy: -70.999
Base-Backbone interact. energy: -0.017
local terms energy: -74.185200
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -12.080
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: 6, replica: 7
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -193.125806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.125806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.125806 (E_RNA)
where:
Base-Base interactions energy: -117.629
where: short stacking energy: -54.909
Base-Backbone interact. energy: 0.676
local terms energy: -76.173054
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -120.358888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.358888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.358888 (E_RNA)
where:
Base-Base interactions energy: -53.387
where: short stacking energy: -40.660
Base-Backbone interact. energy: -0.022
local terms energy: -66.949605
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -1.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -112.890461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.890461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.890461 (E_RNA)
where:
Base-Base interactions energy: -47.331
where: short stacking energy: -31.509
Base-Backbone interact. energy: 0.317
local terms energy: -65.876497
where:
bonds (distance) C4'-P energy: -13.965
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -150.108642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.108642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.108642 (E_RNA)
where:
Base-Base interactions energy: -84.081
where: short stacking energy: -37.384
Base-Backbone interact. energy: -0.318
local terms energy: -65.709063
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -12.752
tors. eta vs tors. theta energy: -2.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -96.338061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.338061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.338061 (E_RNA)
where:
Base-Base interactions energy: -37.052
where: short stacking energy: -27.237
Base-Backbone interact. energy: -0.107
local terms energy: -59.179041
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -302.489338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.489338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.489338 (E_RNA)
where:
Base-Base interactions energy: -202.678
where: short stacking energy: -90.704
Base-Backbone interact. energy: -0.628
local terms energy: -99.183588
where:
bonds (distance) C4'-P energy: -21.092
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -15.566
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: 2, replica: 4
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -293.417152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.417152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.417152 (E_RNA)
where:
Base-Base interactions energy: -194.314
where: short stacking energy: -97.073
Base-Backbone interact. energy: -0.220
local terms energy: -98.883051
where:
bonds (distance) C4'-P energy: -18.718
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -21.687
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -28.477
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: 8
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -282.845955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.845955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.845955 (E_RNA)
where:
Base-Base interactions energy: -189.984
where: short stacking energy: -83.512
Base-Backbone interact. energy: -0.712
local terms energy: -92.149852
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -22.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -263.907743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.907743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.907743 (E_RNA)
where:
Base-Base interactions energy: -180.753
where: short stacking energy: -78.316
Base-Backbone interact. energy: -0.109
local terms energy: -83.046151
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -214.438192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.438192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.438192 (E_RNA)
where:
Base-Base interactions energy: -137.434
where: short stacking energy: -59.499
Base-Backbone interact. energy: -0.202
local terms energy: -76.802071
where:
bonds (distance) C4'-P energy: -16.409
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -13.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -129.263304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.263304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.263304 (E_RNA)
where:
Base-Base interactions energy: -59.552
where: short stacking energy: -36.624
Base-Backbone interact. energy: -0.202
local terms energy: -69.508473
where:
bonds (distance) C4'-P energy: -18.811
bonds (distance) P-C4' energy: -23.368
flat angles C4'-P-C4' energy: -9.723
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -185.803291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.803291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.803291 (E_RNA)
where:
Base-Base interactions energy: -112.064
where: short stacking energy: -52.750
Base-Backbone interact. energy: -0.000
local terms energy: -73.739582
where:
bonds (distance) C4'-P energy: -21.626
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -6.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -162.770919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.770919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.770919 (E_RNA)
where:
Base-Base interactions energy: -108.555
where: short stacking energy: -54.262
Base-Backbone interact. energy: -0.427
local terms energy: -53.788862
where:
bonds (distance) C4'-P energy: -10.348
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -12.224
flat angles P-C4'-P energy: -5.240
tors. eta vs tors. theta energy: -6.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -147.943337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.943337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.943337 (E_RNA)
where:
Base-Base interactions energy: -68.754
where: short stacking energy: -39.418
Base-Backbone interact. energy: -1.037
local terms energy: -78.152945
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -14.647
tors. eta vs tors. theta energy: -5.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -112.967300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.967300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.967300 (E_RNA)
where:
Base-Base interactions energy: -62.008
where: short stacking energy: -31.312
Base-Backbone interact. energy: -0.126
local terms energy: -50.834012
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -12.220
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -306.380691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.380691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.380691 (E_RNA)
where:
Base-Base interactions energy: -201.933
where: short stacking energy: -101.646
Base-Backbone interact. energy: 0.857
local terms energy: -105.305062
where:
bonds (distance) C4'-P energy: -20.355
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -23.347
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -30.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -278.509659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.509659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.509659 (E_RNA)
where:
Base-Base interactions energy: -179.593
where: short stacking energy: -80.898
Base-Backbone interact. energy: -0.411
local terms energy: -98.505669
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -24.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -299.956298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.956298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.956298 (E_RNA)
where:
Base-Base interactions energy: -197.271
where: short stacking energy: -85.368
Base-Backbone interact. energy: 0.068
local terms energy: -102.752884
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -23.433
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -26.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -252.843367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.843367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.843367 (E_RNA)
where:
Base-Base interactions energy: -155.226
where: short stacking energy: -74.781
Base-Backbone interact. energy: -0.108
local terms energy: -97.509724
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -20.852
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -25.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -213.663804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.663804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.663804 (E_RNA)
where:
Base-Base interactions energy: -138.974
where: short stacking energy: -65.427
Base-Backbone interact. energy: -0.165
local terms energy: -74.524655
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -13.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -134.739052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.739052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.739052 (E_RNA)
where:
Base-Base interactions energy: -57.468
where: short stacking energy: -54.152
Base-Backbone interact. energy: -0.128
local terms energy: -77.143114
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -10.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -173.657488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.657488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.657488 (E_RNA)
where:
Base-Base interactions energy: -96.476
where: short stacking energy: -52.555
Base-Backbone interact. energy: -0.333
local terms energy: -76.848330
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -22.706
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -6.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -152.252755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.252755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.252755 (E_RNA)
where:
Base-Base interactions energy: -81.115
where: short stacking energy: -43.910
Base-Backbone interact. energy: 0.590
local terms energy: -71.728411
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -19.065
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -5.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -102.246226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.246226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.246226 (E_RNA)
where:
Base-Base interactions energy: -53.027
where: short stacking energy: -36.679
Base-Backbone interact. energy: -0.074
local terms energy: -49.145880
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -13.009
flat angles C4'-P-C4' energy: -9.931
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -7.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -115.691147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.691147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.691147 (E_RNA)
where:
Base-Base interactions energy: -73.058
where: short stacking energy: -41.654
Base-Backbone interact. energy: 0.020
local terms energy: -42.653004
where:
bonds (distance) C4'-P energy: -15.043
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -14.116
flat angles P-C4'-P energy: 0.694
tors. eta vs tors. theta energy: -1.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -309.711335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.711335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.711335 (E_RNA)
where:
Base-Base interactions energy: -212.435
where: short stacking energy: -94.137
Base-Backbone interact. energy: -0.074
local terms energy: -97.202329
where:
bonds (distance) C4'-P energy: -19.373
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -22.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -286.539976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.539976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.539976 (E_RNA)
where:
Base-Base interactions energy: -190.816
where: short stacking energy: -89.990
Base-Backbone interact. energy: -0.062
local terms energy: -95.661920
where:
bonds (distance) C4'-P energy: -19.667
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -24.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -275.129826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.129826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.129826 (E_RNA)
where:
Base-Base interactions energy: -185.497
where: short stacking energy: -93.742
Base-Backbone interact. energy: 0.245
local terms energy: -89.878003
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -20.738
flat angles P-C4'-P energy: -10.306
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: 4, replica: 3
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -256.894223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.894223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.894223 (E_RNA)
where:
Base-Base interactions energy: -165.533
where: short stacking energy: -80.472
Base-Backbone interact. energy: -0.102
local terms energy: -91.259868
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -16.184
flat angles P-C4'-P energy: -13.955
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: 5, replica: 1
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -201.347040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.347040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.347040 (E_RNA)
where:
Base-Base interactions energy: -127.472
where: short stacking energy: -50.990
Base-Backbone interact. energy: -1.019
local terms energy: -72.856314
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -7.939
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: 6, replica: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -169.531163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.531163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.531163 (E_RNA)
where:
Base-Base interactions energy: -98.373
where: short stacking energy: -52.849
Base-Backbone interact. energy: -0.427
local terms energy: -70.731446
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -8.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -114.453577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.453577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.453577 (E_RNA)
where:
Base-Base interactions energy: -51.449
where: short stacking energy: -46.006
Base-Backbone interact. energy: 0.350
local terms energy: -63.354095
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -11.300
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -7.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -111.629667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.629667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.629667 (E_RNA)
where:
Base-Base interactions energy: -39.697
where: short stacking energy: -29.105
Base-Backbone interact. energy: 0.390
local terms energy: -72.322486
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -193.368106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.368106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.368106 (E_RNA)
where:
Base-Base interactions energy: -129.703
where: short stacking energy: -48.472
Base-Backbone interact. energy: -0.096
local terms energy: -63.569414
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -10.985
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: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -95.639669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.639669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.639669 (E_RNA)
where:
Base-Base interactions energy: -30.349
where: short stacking energy: -30.349
Base-Backbone interact. energy: -0.278
local terms energy: -65.012774
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -3.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -282.438588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.438588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.438588 (E_RNA)
where:
Base-Base interactions energy: -192.618
where: short stacking energy: -87.865
Base-Backbone interact. energy: -0.762
local terms energy: -89.058497
where:
bonds (distance) C4'-P energy: -18.818
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -19.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -300.136728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.136728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.136728 (E_RNA)
where:
Base-Base interactions energy: -206.936
where: short stacking energy: -84.796
Base-Backbone interact. energy: -0.707
local terms energy: -92.493773
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -22.003
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -20.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -278.259379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.259379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.259379 (E_RNA)
where:
Base-Base interactions energy: -188.188
where: short stacking energy: -91.986
Base-Backbone interact. energy: -0.002
local terms energy: -90.069977
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -24.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -254.134223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.134223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.134223 (E_RNA)
where:
Base-Base interactions energy: -167.970
where: short stacking energy: -75.461
Base-Backbone interact. energy: 1.993
local terms energy: -88.157130
where:
bonds (distance) C4'-P energy: -18.827
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -11.610
tors. eta vs tors. theta energy: -22.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -199.974422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.974422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.974422 (E_RNA)
where:
Base-Base interactions energy: -117.656
where: short stacking energy: -61.179
Base-Backbone interact. energy: 0.178
local terms energy: -82.496624
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -22.074
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -14.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -173.987073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.987073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.987073 (E_RNA)
where:
Base-Base interactions energy: -108.535
where: short stacking energy: -46.404
Base-Backbone interact. energy: -0.603
local terms energy: -64.848816
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -4.745
tors. eta vs tors. theta energy: -9.295
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: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -115.435616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.435616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.435616 (E_RNA)
where:
Base-Base interactions energy: -42.004
where: short stacking energy: -42.004
Base-Backbone interact. energy: -0.187
local terms energy: -73.245090
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -10.668
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: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -127.743328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.743328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.743328 (E_RNA)
where:
Base-Base interactions energy: -73.417
where: short stacking energy: -51.946
Base-Backbone interact. energy: 0.134
local terms energy: -54.460477
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -3.539
tors. eta vs tors. theta energy: -7.038
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: 9, replica: 7
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -248.491564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.491564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.491564 (E_RNA)
where:
Base-Base interactions energy: -165.139
where: short stacking energy: -79.086
Base-Backbone interact. energy: -0.464
local terms energy: -82.888688
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -21.823
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: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -92.195815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.195815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.195815 (E_RNA)
where:
Base-Base interactions energy: -31.008
where: short stacking energy: -29.756
Base-Backbone interact. energy: -0.122
local terms energy: -61.065884
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -0.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -285.749739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.749739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.749739 (E_RNA)
where:
Base-Base interactions energy: -195.214
where: short stacking energy: -91.780
Base-Backbone interact. energy: -0.769
local terms energy: -89.766599
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -14.102
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: 2, replica: 4
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -301.548007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.548007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.548007 (E_RNA)
where:
Base-Base interactions energy: -206.914
where: short stacking energy: -87.195
Base-Backbone interact. energy: -0.126
local terms energy: -94.508099
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -16.169
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: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -269.086057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.086057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.086057 (E_RNA)
where:
Base-Base interactions energy: -175.254
where: short stacking energy: -86.853
Base-Backbone interact. energy: 0.511
local terms energy: -94.343399
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -16.577
tors. eta vs tors. theta energy: -25.104
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: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -257.708910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.708910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.708910 (E_RNA)
where:
Base-Base interactions energy: -168.766
where: short stacking energy: -69.613
Base-Backbone interact. energy: -1.329
local terms energy: -87.613931
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -17.438
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -201.247774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.247774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.247774 (E_RNA)
where:
Base-Base interactions energy: -127.950
where: short stacking energy: -69.989
Base-Backbone interact. energy: -0.236
local terms energy: -73.062188
where:
bonds (distance) C4'-P energy: -13.201
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -20.529
flat angles P-C4'-P energy: -13.660
tors. eta vs tors. theta energy: -10.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -182.692169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.692169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.692169 (E_RNA)
where:
Base-Base interactions energy: -111.498
where: short stacking energy: -50.648
Base-Backbone interact. energy: 0.415
local terms energy: -71.609694
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -7.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -110.449314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.449314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.449314 (E_RNA)
where:
Base-Base interactions energy: -47.881
where: short stacking energy: -26.764
Base-Backbone interact. energy: -0.353
local terms energy: -62.215380
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: 2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -255.299802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.299802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.299802 (E_RNA)
where:
Base-Base interactions energy: -178.869
where: short stacking energy: -86.005
Base-Backbone interact. energy: -0.615
local terms energy: -75.816422
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -13.169
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -15.013
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -91.066824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.066824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.066824 (E_RNA)
where:
Base-Base interactions energy: -37.273
where: short stacking energy: -29.788
Base-Backbone interact. energy: -0.311
local terms energy: -53.482717
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: 0.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -98.329138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.329138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.329138 (E_RNA)
where:
Base-Base interactions energy: -46.742
where: short stacking energy: -31.622
Base-Backbone interact. energy: 0.405
local terms energy: -51.991388
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -9.485
tors. eta vs tors. theta energy: 1.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -292.187396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.187396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.187396 (E_RNA)
where:
Base-Base interactions energy: -193.797
where: short stacking energy: -90.737
Base-Backbone interact. energy: -0.194
local terms energy: -98.196552
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -19.460
flat angles C4'-P-C4' energy: -20.413
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -26.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -283.204137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.204137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.204137 (E_RNA)
where:
Base-Base interactions energy: -183.768
where: short stacking energy: -91.242
Base-Backbone interact. energy: -0.018
local terms energy: -99.417852
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -17.028
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -30.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -256.171070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.171070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.171070 (E_RNA)
where:
Base-Base interactions energy: -172.086
where: short stacking energy: -73.010
Base-Backbone interact. energy: -0.244
local terms energy: -83.840326
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -16.115
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -17.302
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: 38
Temperature: 1.050000
Total energy: -293.391129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.391129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.391129 (E_RNA)
where:
Base-Base interactions energy: -199.524
where: short stacking energy: -81.267
Base-Backbone interact. energy: -0.095
local terms energy: -93.771572
where:
bonds (distance) C4'-P energy: -18.522
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -21.245
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: 5
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -183.308853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.308853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.308853 (E_RNA)
where:
Base-Base interactions energy: -113.935
where: short stacking energy: -58.406
Base-Backbone interact. energy: -0.324
local terms energy: -69.049501
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -19.044
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -10.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -207.337254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.337254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.337254 (E_RNA)
where:
Base-Base interactions energy: -118.034
where: short stacking energy: -64.617
Base-Backbone interact. energy: -0.032
local terms energy: -89.271459
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -21.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -257.803015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.803015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.803015 (E_RNA)
where:
Base-Base interactions energy: -183.521
where: short stacking energy: -80.143
Base-Backbone interact. energy: 0.223
local terms energy: -74.504849
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -10.872
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -9.117
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: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -106.502311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.502311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.502311 (E_RNA)
where:
Base-Base interactions energy: -48.038
where: short stacking energy: -32.564
Base-Backbone interact. energy: -0.860
local terms energy: -57.604003
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -9.636
tors. eta vs tors. theta energy: 1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -93.500852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.500852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.500852 (E_RNA)
where:
Base-Base interactions energy: -31.239
where: short stacking energy: -22.084
Base-Backbone interact. energy: -0.731
local terms energy: -61.530058
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: 0.613
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: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -100.065366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.065366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.065366 (E_RNA)
where:
Base-Base interactions energy: -41.529
where: short stacking energy: -41.529
Base-Backbone interact. energy: -0.219
local terms energy: -58.317382
where:
bonds (distance) C4'-P energy: -6.286
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -17.603
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -8.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -307.827139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.827139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.827139 (E_RNA)
where:
Base-Base interactions energy: -198.654
where: short stacking energy: -100.349
Base-Backbone interact. energy: -1.080
local terms energy: -108.093635
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -20.748
flat angles C4'-P-C4' energy: -23.850
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -28.026
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: 8
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -303.273933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.273933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.273933 (E_RNA)
where:
Base-Base interactions energy: -207.417
where: short stacking energy: -91.529
Base-Backbone interact. energy: -0.133
local terms energy: -95.724735
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -27.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -265.736811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.736811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.736811 (E_RNA)
where:
Base-Base interactions energy: -171.571
where: short stacking energy: -73.178
Base-Backbone interact. energy: -0.017
local terms energy: -94.148657
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -21.141
flat angles C4'-P-C4' energy: -21.142
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -16.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -282.344124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.344124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.344124 (E_RNA)
where:
Base-Base interactions energy: -187.484
where: short stacking energy: -86.692
Base-Backbone interact. energy: -0.001
local terms energy: -94.858185
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -22.047
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -23.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -178.735682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.735682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.735682 (E_RNA)
where:
Base-Base interactions energy: -104.198
where: short stacking energy: -54.406
Base-Backbone interact. energy: -0.317
local terms energy: -74.220612
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -9.525
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: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -266.115691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.115691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.115691 (E_RNA)
where:
Base-Base interactions energy: -178.146
where: short stacking energy: -81.752
Base-Backbone interact. energy: -1.023
local terms energy: -86.946868
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -24.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -196.607791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.607791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.607791 (E_RNA)
where:
Base-Base interactions energy: -120.270
where: short stacking energy: -74.286
Base-Backbone interact. energy: -0.412
local terms energy: -75.925495
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -20.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -102.687523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.687523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.687523 (E_RNA)
where:
Base-Base interactions energy: -40.205
where: short stacking energy: -39.934
Base-Backbone interact. energy: -0.021
local terms energy: -62.461883
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -1.238
tors. eta vs tors. theta energy: -6.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -103.276158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.276158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.276158 (E_RNA)
where:
Base-Base interactions energy: -47.907
where: short stacking energy: -32.741
Base-Backbone interact. energy: -0.794
local terms energy: -54.575378
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -9.806
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: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -105.425189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.425189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.425189 (E_RNA)
where:
Base-Base interactions energy: -37.974
where: short stacking energy: -35.689
Base-Backbone interact. energy: -0.010
local terms energy: -67.441430
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -8.778
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: 8
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -315.955529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.955529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.955529 (E_RNA)
where:
Base-Base interactions energy: -219.701
where: short stacking energy: -99.397
Base-Backbone interact. energy: -1.159
local terms energy: -95.095070
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -21.729
flat angles C4'-P-C4' energy: -21.203
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -22.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -298.098259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.098259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.098259 (E_RNA)
where:
Base-Base interactions energy: -191.207
where: short stacking energy: -95.164
Base-Backbone interact. energy: -0.001
local terms energy: -106.889626
where:
bonds (distance) C4'-P energy: -19.986
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -16.468
tors. eta vs tors. theta energy: -26.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -274.446852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.446852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.446852 (E_RNA)
where:
Base-Base interactions energy: -174.794
where: short stacking energy: -89.792
Base-Backbone interact. energy: -0.138
local terms energy: -99.514754
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -27.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -245.672357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.672357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.672357 (E_RNA)
where:
Base-Base interactions energy: -161.218
where: short stacking energy: -69.249
Base-Backbone interact. energy: -0.217
local terms energy: -84.236986
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -16.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -294.229970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.229970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.229970 (E_RNA)
where:
Base-Base interactions energy: -205.894
where: short stacking energy: -84.595
Base-Backbone interact. energy: -0.583
local terms energy: -87.753011
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -21.411
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: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -181.062935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.062935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.062935 (E_RNA)
where:
Base-Base interactions energy: -108.388
where: short stacking energy: -61.694
Base-Backbone interact. energy: -0.958
local terms energy: -71.716100
where:
bonds (distance) C4'-P energy: -18.292
bonds (distance) P-C4' energy: -18.976
flat angles C4'-P-C4' energy: -10.766
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -10.065
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: 1
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -205.956940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.956940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.956940 (E_RNA)
where:
Base-Base interactions energy: -117.327
where: short stacking energy: -73.557
Base-Backbone interact. energy: -0.240
local terms energy: -88.390259
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -17.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -106.616542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.616542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.616542 (E_RNA)
where:
Base-Base interactions energy: -47.243
where: short stacking energy: -46.364
Base-Backbone interact. energy: -0.281
local terms energy: -59.092590
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -7.422
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: 6
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -121.051580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.051580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.051580 (E_RNA)
where:
Base-Base interactions energy: -62.536
where: short stacking energy: -48.976
Base-Backbone interact. energy: -0.674
local terms energy: -57.841605
where:
bonds (distance) C4'-P energy: -9.035
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -7.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -93.962777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.962777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.962777 (E_RNA)
where:
Base-Base interactions energy: -30.916
where: short stacking energy: -30.916
Base-Backbone interact. energy: -0.149
local terms energy: -62.897774
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -17.810
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -0.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -311.647273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.647273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.647273 (E_RNA)
where:
Base-Base interactions energy: -209.440
where: short stacking energy: -84.443
Base-Backbone interact. energy: -0.003
local terms energy: -102.203751
where:
bonds (distance) C4'-P energy: -22.428
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -300.234406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.234406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.234406 (E_RNA)
where:
Base-Base interactions energy: -201.070
where: short stacking energy: -92.395
Base-Backbone interact. energy: -0.120
local terms energy: -99.044380
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -26.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -270.871289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.871289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.871289 (E_RNA)
where:
Base-Base interactions energy: -186.076
where: short stacking energy: -82.603
Base-Backbone interact. energy: 0.187
local terms energy: -84.982112
where:
bonds (distance) C4'-P energy: -19.741
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -24.266
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: 4, replica: 7
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -294.899979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.899979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.899979 (E_RNA)
where:
Base-Base interactions energy: -203.492
where: short stacking energy: -98.592
Base-Backbone interact. energy: -2.393
local terms energy: -89.015182
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -14.542
tors. eta vs tors. theta energy: -27.558
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: 41
Temperature: 1.100000
Total energy: -236.616353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.616353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.616353 (E_RNA)
where:
Base-Base interactions energy: -154.601
where: short stacking energy: -72.596
Base-Backbone interact. energy: -0.032
local terms energy: -81.983574
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -176.067708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.067708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.067708 (E_RNA)
where:
Base-Base interactions energy: -112.329
where: short stacking energy: -48.040
Base-Backbone interact. energy: -0.611
local terms energy: -63.128507
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -6.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -213.254276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.254276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.254276 (E_RNA)
where:
Base-Base interactions energy: -136.124
where: short stacking energy: -67.720
Base-Backbone interact. energy: -0.190
local terms energy: -76.940278
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -13.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -109.893444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.893444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.893444 (E_RNA)
where:
Base-Base interactions energy: -45.365
where: short stacking energy: -22.878
Base-Backbone interact. energy: -0.475
local terms energy: -64.053684
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -105.226978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.226978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.226978 (E_RNA)
where:
Base-Base interactions energy: -48.754
where: short stacking energy: -40.419
Base-Backbone interact. energy: -1.165
local terms energy: -55.307816
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -6.915
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -14.552
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: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -92.381093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.381093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.381093 (E_RNA)
where:
Base-Base interactions energy: -38.168
where: short stacking energy: -38.037
Base-Backbone interact. energy: -0.240
local terms energy: -53.973165
where:
bonds (distance) C4'-P energy: -15.663
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -0.869
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: 4
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -310.637255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.637255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.637255 (E_RNA)
where:
Base-Base interactions energy: -217.056
where: short stacking energy: -86.335
Base-Backbone interact. energy: -0.238
local terms energy: -93.342981
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -22.730
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -22.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -305.381697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.381697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.381697 (E_RNA)
where:
Base-Base interactions energy: -210.765
where: short stacking energy: -102.445
Base-Backbone interact. energy: -0.385
local terms energy: -94.231766
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -27.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -293.699415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.699415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.699415 (E_RNA)
where:
Base-Base interactions energy: -200.083
where: short stacking energy: -83.176
Base-Backbone interact. energy: 0.864
local terms energy: -94.480123
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -24.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -263.152021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.152021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.152021 (E_RNA)
where:
Base-Base interactions energy: -172.160
where: short stacking energy: -86.172
Base-Backbone interact. energy: -0.148
local terms energy: -90.843947
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -26.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -258.463568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.463568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.463568 (E_RNA)
where:
Base-Base interactions energy: -177.827
where: short stacking energy: -80.611
Base-Backbone interact. energy: 0.093
local terms energy: -80.729342
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -13.138
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: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -188.821944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.821944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.821944 (E_RNA)
where:
Base-Base interactions energy: -111.779
where: short stacking energy: -67.168
Base-Backbone interact. energy: 2.287
local terms energy: -79.329730
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -11.325
flat angles C4'-P-C4' energy: -20.530
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -18.545
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: 1
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -234.847707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.847707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.847707 (E_RNA)
where:
Base-Base interactions energy: -158.265
where: short stacking energy: -81.676
Base-Backbone interact. energy: -0.028
local terms energy: -76.554531
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -18.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -113.637973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.637973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.637973 (E_RNA)
where:
Base-Base interactions energy: -58.999
where: short stacking energy: -26.999
Base-Backbone interact. energy: 0.304
local terms energy: -54.942800
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: 0.864
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: 42
Temperature: 1.300000
Total energy: -99.064800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.064800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.064800 (E_RNA)
where:
Base-Base interactions energy: -40.054
where: short stacking energy: -34.662
Base-Backbone interact. energy: -0.196
local terms energy: -58.814682
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -12.936
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -6.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -104.799620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.799620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.799620 (E_RNA)
where:
Base-Base interactions energy: -42.827
where: short stacking energy: -38.525
Base-Backbone interact. energy: 0.758
local terms energy: -62.730965
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -21.628
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -4.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -315.920597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.920597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.920597 (E_RNA)
where:
Base-Base interactions energy: -215.331
where: short stacking energy: -96.508
Base-Backbone interact. energy: -0.012
local terms energy: -100.578254
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -23.373
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -24.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -303.997626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.997626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.997626 (E_RNA)
where:
Base-Base interactions energy: -209.352
where: short stacking energy: -93.860
Base-Backbone interact. energy: -0.028
local terms energy: -94.617427
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -24.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -274.015060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.015060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.015060 (E_RNA)
where:
Base-Base interactions energy: -173.282
where: short stacking energy: -77.871
Base-Backbone interact. energy: 0.973
local terms energy: -101.705604
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -21.038
flat angles C4'-P-C4' energy: -20.230
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -25.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -259.868855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.868855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.868855 (E_RNA)
where:
Base-Base interactions energy: -169.225
where: short stacking energy: -69.712
Base-Backbone interact. energy: -0.852
local terms energy: -89.791960
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -13.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -269.272247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.272247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.272247 (E_RNA)
where:
Base-Base interactions energy: -175.027
where: short stacking energy: -85.487
Base-Backbone interact. energy: -0.231
local terms energy: -94.014398
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -21.116
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -23.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -264.563780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.563780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.563780 (E_RNA)
where:
Base-Base interactions energy: -175.650
where: short stacking energy: -83.190
Base-Backbone interact. energy: 0.384
local terms energy: -89.297818
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -12.323
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: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -156.090471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.090471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.090471 (E_RNA)
where:
Base-Base interactions energy: -92.688
where: short stacking energy: -50.434
Base-Backbone interact. energy: 0.775
local terms energy: -64.177448
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -3.593
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: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -110.925302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.925302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.925302 (E_RNA)
where:
Base-Base interactions energy: -43.500
where: short stacking energy: -39.599
Base-Backbone interact. energy: -0.021
local terms energy: -67.404656
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -10.548
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -9.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -102.142714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.142714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.142714 (E_RNA)
where:
Base-Base interactions energy: -45.187
where: short stacking energy: -35.016
Base-Backbone interact. energy: -0.626
local terms energy: -56.330070
where:
bonds (distance) C4'-P energy: -19.521
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -7.146
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -5.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -95.091447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.091447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.091447 (E_RNA)
where:
Base-Base interactions energy: -43.683
where: short stacking energy: -37.184
Base-Backbone interact. energy: -0.614
local terms energy: -50.793653
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -17.880
flat angles C4'-P-C4' energy: -9.544
flat angles P-C4'-P energy: -5.244
tors. eta vs tors. theta energy: -7.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -308.534814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.534814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.534814 (E_RNA)
where:
Base-Base interactions energy: -211.292
where: short stacking energy: -96.394
Base-Backbone interact. energy: -1.158
local terms energy: -96.085327
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -20.494
flat angles P-C4'-P energy: -13.534
tors. eta vs tors. theta energy: -25.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -304.482817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.482817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.482817 (E_RNA)
where:
Base-Base interactions energy: -210.610
where: short stacking energy: -90.488
Base-Backbone interact. energy: -0.258
local terms energy: -93.614625
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -16.996
tors. eta vs tors. theta energy: -23.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -284.336106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.336106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.336106 (E_RNA)
where:
Base-Base interactions energy: -196.073
where: short stacking energy: -87.812
Base-Backbone interact. energy: -0.267
local terms energy: -87.996490
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -25.016
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: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -258.976091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.976091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.976091 (E_RNA)
where:
Base-Base interactions energy: -174.447
where: short stacking energy: -73.281
Base-Backbone interact. energy: -0.896
local terms energy: -83.633248
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -21.631
flat angles P-C4'-P energy: -15.863
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: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -267.060741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.060741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.060741 (E_RNA)
where:
Base-Base interactions energy: -181.174
where: short stacking energy: -77.533
Base-Backbone interact. energy: 1.168
local terms energy: -87.054251
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -23.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -258.292428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.292428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.292428 (E_RNA)
where:
Base-Base interactions energy: -173.531
where: short stacking energy: -84.300
Base-Backbone interact. energy: 0.169
local terms energy: -84.930305
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -16.855
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -11.986
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: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -162.739721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.739721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.739721 (E_RNA)
where:
Base-Base interactions energy: -94.342
where: short stacking energy: -54.421
Base-Backbone interact. energy: -1.441
local terms energy: -66.956873
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -6.725
tors. eta vs tors. theta energy: -12.449
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: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -105.279521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.279521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.279521 (E_RNA)
where:
Base-Base interactions energy: -42.888
where: short stacking energy: -42.424
Base-Backbone interact. energy: -0.095
local terms energy: -62.297286
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -19.297
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -12.014
tors. eta vs tors. theta energy: -2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -110.726393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.726393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.726393 (E_RNA)
where:
Base-Base interactions energy: -58.790
where: short stacking energy: -40.147
Base-Backbone interact. energy: 0.348
local terms energy: -52.283844
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -104.008400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.008400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.008400 (E_RNA)
where:
Base-Base interactions energy: -31.153
where: short stacking energy: -31.153
Base-Backbone interact. energy: -0.507
local terms energy: -72.348205
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -2.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -319.494555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.494555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.494555 (E_RNA)
where:
Base-Base interactions energy: -218.156
where: short stacking energy: -90.273
Base-Backbone interact. energy: -0.432
local terms energy: -100.906333
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -22.840
flat angles P-C4'-P energy: -14.542
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: 2, replica: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -284.365852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.365852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.365852 (E_RNA)
where:
Base-Base interactions energy: -185.788
where: short stacking energy: -92.694
Base-Backbone interact. energy: -0.453
local terms energy: -98.125415
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -12.897
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: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -313.648396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.648396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.648396 (E_RNA)
where:
Base-Base interactions energy: -208.689
where: short stacking energy: -90.671
Base-Backbone interact. energy: -0.027
local terms energy: -104.932273
where:
bonds (distance) C4'-P energy: -21.583
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -22.763
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -23.973
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: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -252.576574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.576574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.576574 (E_RNA)
where:
Base-Base interactions energy: -164.542
where: short stacking energy: -63.468
Base-Backbone interact. energy: -0.402
local terms energy: -87.632940
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -17.889
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -268.756834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.756834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.756834 (E_RNA)
where:
Base-Base interactions energy: -184.771
where: short stacking energy: -87.426
Base-Backbone interact. energy: -1.289
local terms energy: -82.697294
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -12.400
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: 6, replica: 2
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -261.126807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.126807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.126807 (E_RNA)
where:
Base-Base interactions energy: -182.487
where: short stacking energy: -77.333
Base-Backbone interact. energy: -0.050
local terms energy: -78.590101
where:
bonds (distance) C4'-P energy: -7.023
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -22.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -162.167290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.167290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.167290 (E_RNA)
where:
Base-Base interactions energy: -98.390
where: short stacking energy: -49.084
Base-Backbone interact. energy: -1.376
local terms energy: -62.401432
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -109.993413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.993413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.993413 (E_RNA)
where:
Base-Base interactions energy: -46.142
where: short stacking energy: -46.142
Base-Backbone interact. energy: -0.256
local terms energy: -63.595390
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -21.815
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -1.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -99.473927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.473927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.473927 (E_RNA)
where:
Base-Base interactions energy: -34.514
where: short stacking energy: -35.414
Base-Backbone interact. energy: 0.183
local terms energy: -65.143033
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -3.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -93.421187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.421187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.421187 (E_RNA)
where:
Base-Base interactions energy: -27.240
where: short stacking energy: -18.367
Base-Backbone interact. energy: -0.088
local terms energy: -66.093038
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -0.685
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: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -292.006241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.006241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.006241 (E_RNA)
where:
Base-Base interactions energy: -198.369
where: short stacking energy: -89.418
Base-Backbone interact. energy: -0.698
local terms energy: -92.938932
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -22.935
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -24.934
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: 8
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -308.485280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.485280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.485280 (E_RNA)
where:
Base-Base interactions energy: -206.998
where: short stacking energy: -94.930
Base-Backbone interact. energy: -0.003
local terms energy: -101.484092
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -16.023
tors. eta vs tors. theta energy: -29.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -298.545231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.545231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.545231 (E_RNA)
where:
Base-Base interactions energy: -196.271
where: short stacking energy: -93.452
Base-Backbone interact. energy: -0.637
local terms energy: -101.637020
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -21.759
flat angles P-C4'-P energy: -19.376
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: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -259.403233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.403233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.403233 (E_RNA)
where:
Base-Base interactions energy: -168.330
where: short stacking energy: -70.593
Base-Backbone interact. energy: -0.210
local terms energy: -90.863030
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -17.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -271.468681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.468681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.468681 (E_RNA)
where:
Base-Base interactions energy: -181.635
where: short stacking energy: -84.907
Base-Backbone interact. energy: -1.410
local terms energy: -88.423631
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -21.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -267.286429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.286429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.286429 (E_RNA)
where:
Base-Base interactions energy: -184.321
where: short stacking energy: -85.940
Base-Backbone interact. energy: -0.004
local terms energy: -82.961244
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -22.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -112.569452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.569452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.569452 (E_RNA)
where:
Base-Base interactions energy: -43.806
where: short stacking energy: -43.572
Base-Backbone interact. energy: -0.211
local terms energy: -68.552009
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -10.939
tors. eta vs tors. theta energy: -6.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -116.488848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.488848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.488848 (E_RNA)
where:
Base-Base interactions energy: -56.469
where: short stacking energy: -40.163
Base-Backbone interact. energy: -0.667
local terms energy: -59.352422
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -8.986
tors. eta vs tors. theta energy: -0.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -95.994018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.994018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.994018 (E_RNA)
where:
Base-Base interactions energy: -42.189
where: short stacking energy: -33.598
Base-Backbone interact. energy: -0.300
local terms energy: -53.505014
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: 0.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -124.166713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.166713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.166713 (E_RNA)
where:
Base-Base interactions energy: -53.677
where: short stacking energy: -40.241
Base-Backbone interact. energy: 0.556
local terms energy: -71.045877
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -6.156
tors. eta vs tors. theta energy: -12.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -302.080843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.080843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.080843 (E_RNA)
where:
Base-Base interactions energy: -204.875
where: short stacking energy: -88.718
Base-Backbone interact. energy: -0.223
local terms energy: -96.982425
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -25.800
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: 4
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -291.620913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.620913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.620913 (E_RNA)
where:
Base-Base interactions energy: -196.654
where: short stacking energy: -91.836
Base-Backbone interact. energy: -0.806
local terms energy: -94.160374
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -22.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -294.759056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.759056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.759056 (E_RNA)
where:
Base-Base interactions energy: -193.892
where: short stacking energy: -83.053
Base-Backbone interact. energy: -0.846
local terms energy: -100.020956
where:
bonds (distance) C4'-P energy: -21.983
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -20.391
flat angles P-C4'-P energy: -17.355
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: 4, replica: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -288.854744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.854744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.854744 (E_RNA)
where:
Base-Base interactions energy: -181.382
where: short stacking energy: -89.123
Base-Backbone interact. energy: -1.244
local terms energy: -106.229520
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -21.157
flat angles C4'-P-C4' energy: -20.925
flat angles P-C4'-P energy: -17.074
tors. eta vs tors. theta energy: -28.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -245.983437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.983437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.983437 (E_RNA)
where:
Base-Base interactions energy: -157.281
where: short stacking energy: -67.591
Base-Backbone interact. energy: -0.649
local terms energy: -88.053241
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -22.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -265.151782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.151782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.151782 (E_RNA)
where:
Base-Base interactions energy: -178.564
where: short stacking energy: -83.253
Base-Backbone interact. energy: -0.093
local terms energy: -86.495663
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -19.612
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -23.905
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: 47
Temperature: 1.200000
Total energy: -104.933030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.933030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.933030 (E_RNA)
where:
Base-Base interactions energy: -43.367
where: short stacking energy: -37.808
Base-Backbone interact. energy: -0.286
local terms energy: -61.280107
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -107.956627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.956627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.956627 (E_RNA)
where:
Base-Base interactions energy: -46.416
where: short stacking energy: -30.069
Base-Backbone interact. energy: -0.295
local terms energy: -61.245052
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -5.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -108.666513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.666513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.666513 (E_RNA)
where:
Base-Base interactions energy: -40.194
where: short stacking energy: -38.174
Base-Backbone interact. energy: -0.237
local terms energy: -68.235311
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -3.198
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: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -94.621713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.621713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.621713 (E_RNA)
where:
Base-Base interactions energy: -42.594
where: short stacking energy: -35.254
Base-Backbone interact. energy: -0.311
local terms energy: -51.716613
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -294.647727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.647727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.647727 (E_RNA)
where:
Base-Base interactions energy: -200.849
where: short stacking energy: -90.315
Base-Backbone interact. energy: -0.105
local terms energy: -93.692906
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -13.660
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -26.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -293.609189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.609189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.609189 (E_RNA)
where:
Base-Base interactions energy: -194.939
where: short stacking energy: -95.761
Base-Backbone interact. energy: -0.012
local terms energy: -98.657291
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -12.094
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: 3, replica: 8
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -294.263389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.263389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.263389 (E_RNA)
where:
Base-Base interactions energy: -199.208
where: short stacking energy: -88.144
Base-Backbone interact. energy: -0.195
local terms energy: -94.861058
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -24.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -281.677621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.677621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.677621 (E_RNA)
where:
Base-Base interactions energy: -180.518
where: short stacking energy: -88.984
Base-Backbone interact. energy: 0.575
local terms energy: -101.733978
where:
bonds (distance) C4'-P energy: -18.670
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -16.290
tors. eta vs tors. theta energy: -26.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -266.745725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.745725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.745725 (E_RNA)
where:
Base-Base interactions energy: -178.482
where: short stacking energy: -83.782
Base-Backbone interact. energy: -0.051
local terms energy: -88.212558
where:
bonds (distance) C4'-P energy: -19.763
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -11.797
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: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -240.917026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.917026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.917026 (E_RNA)
where:
Base-Base interactions energy: -164.308
where: short stacking energy: -82.682
Base-Backbone interact. energy: -0.027
local terms energy: -76.582317
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -22.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -103.483170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.483170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.483170 (E_RNA)
where:
Base-Base interactions energy: -50.781
where: short stacking energy: -44.107
Base-Backbone interact. energy: -0.165
local terms energy: -52.536824
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: 0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -102.581857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.581857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.581857 (E_RNA)
where:
Base-Base interactions energy: -40.320
where: short stacking energy: -24.254
Base-Backbone interact. energy: 1.877
local terms energy: -64.139577
where:
bonds (distance) C4'-P energy: -20.120
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -100.745162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.745162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.745162 (E_RNA)
where:
Base-Base interactions energy: -33.702
where: short stacking energy: -32.660
Base-Backbone interact. energy: -0.276
local terms energy: -66.766999
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -95.205771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.205771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.205771 (E_RNA)
where:
Base-Base interactions energy: -34.469
where: short stacking energy: -34.469
Base-Backbone interact. energy: -0.337
local terms energy: -60.399533
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -11.632
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -14.897
tors. eta vs tors. theta energy: -1.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -296.296936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.296936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.296936 (E_RNA)
where:
Base-Base interactions energy: -191.069
where: short stacking energy: -101.353
Base-Backbone interact. energy: -1.396
local terms energy: -103.832189
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -29.992
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: 2, replica: 8
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -290.974537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.974537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.974537 (E_RNA)
where:
Base-Base interactions energy: -199.612
where: short stacking energy: -80.171
Base-Backbone interact. energy: -0.762
local terms energy: -90.600150
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -21.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -283.394921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.394921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.394921 (E_RNA)
where:
Base-Base interactions energy: -185.506
where: short stacking energy: -80.339
Base-Backbone interact. energy: -0.111
local terms energy: -97.777975
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -21.011
flat angles P-C4'-P energy: -14.001
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: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -287.114054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.114054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.114054 (E_RNA)
where:
Base-Base interactions energy: -196.172
where: short stacking energy: -83.751
Base-Backbone interact. energy: -0.002
local terms energy: -90.939598
where:
bonds (distance) C4'-P energy: -20.587
bonds (distance) P-C4' energy: -13.974
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -11.983
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: 2
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -266.429203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.429203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.429203 (E_RNA)
where:
Base-Base interactions energy: -179.423
where: short stacking energy: -87.162
Base-Backbone interact. energy: 0.102
local terms energy: -87.107767
where:
bonds (distance) C4'-P energy: -19.477
bonds (distance) P-C4' energy: -21.613
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -10.814
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: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -243.276824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.276824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.276824 (E_RNA)
where:
Base-Base interactions energy: -173.498
where: short stacking energy: -82.426
Base-Backbone interact. energy: -0.611
local terms energy: -69.168339
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -14.572
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -2.450
tors. eta vs tors. theta energy: -24.345
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: 6
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -120.615817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.615817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.615817 (E_RNA)
where:
Base-Base interactions energy: -53.730
where: short stacking energy: -32.476
Base-Backbone interact. energy: -0.199
local terms energy: -66.686717
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -8.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -110.549169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.549169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.549169 (E_RNA)
where:
Base-Base interactions energy: -58.871
where: short stacking energy: -32.809
Base-Backbone interact. energy: -1.194
local terms energy: -50.484084
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -8.508
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -94.298398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.298398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.298398 (E_RNA)
where:
Base-Base interactions energy: -40.379
where: short stacking energy: -40.434
Base-Backbone interact. energy: -1.832
local terms energy: -52.087519
where:
bonds (distance) C4'-P energy: -18.912
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -4.575
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -7.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -104.949272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.949272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.949272 (E_RNA)
where:
Base-Base interactions energy: -40.818
where: short stacking energy: -31.252
Base-Backbone interact. energy: -1.416
local terms energy: -62.715098
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: 1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -286.550194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.550194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.550194 (E_RNA)
where:
Base-Base interactions energy: -194.331
where: short stacking energy: -89.705
Base-Backbone interact. energy: -0.255
local terms energy: -91.964229
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -23.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -304.552468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.552468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.552468 (E_RNA)
where:
Base-Base interactions energy: -202.339
where: short stacking energy: -108.631
Base-Backbone interact. energy: -2.183
local terms energy: -100.029861
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -31.491
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: 50
Temperature: 1.000000
Total energy: -286.302083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.302083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.302083 (E_RNA)
where:
Base-Base interactions energy: -197.318
where: short stacking energy: -92.279
Base-Backbone interact. energy: -0.106
local terms energy: -88.878645
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -20.508
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -23.938
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: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -282.109854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.109854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.109854 (E_RNA)
where:
Base-Base interactions energy: -187.121
where: short stacking energy: -87.475
Base-Backbone interact. energy: -0.003
local terms energy: -94.985974
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -24.800
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: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -250.988921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.988921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.988921 (E_RNA)
where:
Base-Base interactions energy: -161.377
where: short stacking energy: -80.200
Base-Backbone interact. energy: -0.104
local terms energy: -89.507254
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -25.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -272.440475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.440475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.440475 (E_RNA)
where:
Base-Base interactions energy: -179.433
where: short stacking energy: -94.527
Base-Backbone interact. energy: -0.001
local terms energy: -93.006244
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -28.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -137.142258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.142258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.142258 (E_RNA)
where:
Base-Base interactions energy: -70.705
where: short stacking energy: -46.283
Base-Backbone interact. energy: -0.076
local terms energy: -66.361225
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -12.122
tors. eta vs tors. theta energy: -6.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -116.252019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.252019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.252019 (E_RNA)
where:
Base-Base interactions energy: -49.774
where: short stacking energy: -49.774
Base-Backbone interact. energy: 1.620
local terms energy: -68.098079
where:
bonds (distance) C4'-P energy: -20.633
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -9.367
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: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -130.288353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.288353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.288353 (E_RNA)
where:
Base-Base interactions energy: -54.016
where: short stacking energy: -48.260
Base-Backbone interact. energy: -0.298
local terms energy: -75.974599
where:
bonds (distance) C4'-P energy: -18.043
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -18.831
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -6.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -91.239141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.239141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.239141 (E_RNA)
where:
Base-Base interactions energy: -34.400
where: short stacking energy: -32.648
Base-Backbone interact. energy: -0.242
local terms energy: -56.597317
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -1.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -291.980113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.980113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.980113 (E_RNA)
where:
Base-Base interactions energy: -186.015
where: short stacking energy: -94.975
Base-Backbone interact. energy: -0.379
local terms energy: -105.585674
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -28.987
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: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -290.549435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.549435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.549435 (E_RNA)
where:
Base-Base interactions energy: -192.657
where: short stacking energy: -86.035
Base-Backbone interact. energy: -0.668
local terms energy: -97.224771
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -17.422
flat angles C4'-P-C4' energy: -19.713
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -27.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -287.054406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.054406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.054406 (E_RNA)
where:
Base-Base interactions energy: -187.817
where: short stacking energy: -93.085
Base-Backbone interact. energy: -1.024
local terms energy: -98.212819
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -21.585
flat angles P-C4'-P energy: -16.142
tors. eta vs tors. theta energy: -30.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -257.885761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.885761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.885761 (E_RNA)
where:
Base-Base interactions energy: -171.993
where: short stacking energy: -81.094
Base-Backbone interact. energy: -0.198
local terms energy: -85.695061
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -19.448
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -13.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -266.925712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.925712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.925712 (E_RNA)
where:
Base-Base interactions energy: -174.869
where: short stacking energy: -80.108
Base-Backbone interact. energy: -0.182
local terms energy: -91.874656
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -24.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -265.827030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.827030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.827030 (E_RNA)
where:
Base-Base interactions energy: -176.776
where: short stacking energy: -81.169
Base-Backbone interact. energy: -0.076
local terms energy: -88.974801
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -19.551
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -22.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -99.420253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.420253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.420253 (E_RNA)
where:
Base-Base interactions energy: -39.897
where: short stacking energy: -36.869
Base-Backbone interact. energy: -0.803
local terms energy: -58.720688
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -6.722
tors. eta vs tors. theta energy: 0.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -109.522181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.522181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.522181 (E_RNA)
where:
Base-Base interactions energy: -46.973
where: short stacking energy: -39.735
Base-Backbone interact. energy: -0.331
local terms energy: -62.218477
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: 0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -88.176577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.176577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.176577 (E_RNA)
where:
Base-Base interactions energy: -26.473
where: short stacking energy: -20.570
Base-Backbone interact. energy: 0.325
local terms energy: -62.028789
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -22.410
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: 3.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -85.954556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.954556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.954556 (E_RNA)
where:
Base-Base interactions energy: -31.542
where: short stacking energy: -29.185
Base-Backbone interact. energy: -0.355
local terms energy: -54.057137
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: 5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -288.369038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.369038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.369038 (E_RNA)
where:
Base-Base interactions energy: -192.666
where: short stacking energy: -92.775
Base-Backbone interact. energy: -1.162
local terms energy: -94.541072
where:
bonds (distance) C4'-P energy: -19.266
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -22.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -292.301337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.301337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.301337 (E_RNA)
where:
Base-Base interactions energy: -197.685
where: short stacking energy: -89.143
Base-Backbone interact. energy: -0.133
local terms energy: -94.482974
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -20.980
flat angles P-C4'-P energy: -13.360
tors. eta vs tors. theta energy: -21.463
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: 52
Temperature: 1.000000
Total energy: -296.390942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.390942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.390942 (E_RNA)
where:
Base-Base interactions energy: -199.307
where: short stacking energy: -80.895
Base-Backbone interact. energy: -0.508
local terms energy: -96.575519
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -24.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -259.396443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.396443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.396443 (E_RNA)
where:
Base-Base interactions energy: -171.433
where: short stacking energy: -84.057
Base-Backbone interact. energy: -0.465
local terms energy: -87.498826
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -15.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -265.766874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.766874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.766874 (E_RNA)
where:
Base-Base interactions energy: -177.328
where: short stacking energy: -77.586
Base-Backbone interact. energy: -0.110
local terms energy: -88.329130
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -18.332
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -14.971
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: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -263.609482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.609482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.609482 (E_RNA)
where:
Base-Base interactions energy: -181.890
where: short stacking energy: -88.497
Base-Backbone interact. energy: -0.073
local terms energy: -81.645881
where:
bonds (distance) C4'-P energy: -17.917
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -5.476
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: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -125.583619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.583619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.583619 (E_RNA)
where:
Base-Base interactions energy: -53.367
where: short stacking energy: -38.679
Base-Backbone interact. energy: -0.261
local terms energy: -71.956133
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -12.189
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -107.763616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.763616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.763616 (E_RNA)
where:
Base-Base interactions energy: -38.401
where: short stacking energy: -30.134
Base-Backbone interact. energy: -0.374
local terms energy: -68.988234
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -7.008
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: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -106.813685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.813685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.813685 (E_RNA)
where:
Base-Base interactions energy: -40.054
where: short stacking energy: -40.054
Base-Backbone interact. energy: -0.511
local terms energy: -66.248798
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -19.445
flat angles P-C4'-P energy: -9.476
tors. eta vs tors. theta energy: -4.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -88.502137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.502137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.502137 (E_RNA)
where:
Base-Base interactions energy: -30.226
where: short stacking energy: -29.349
Base-Backbone interact. energy: -0.280
local terms energy: -57.996682
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: 2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -300.517399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.517399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.517399 (E_RNA)
where:
Base-Base interactions energy: -191.913
where: short stacking energy: -96.655
Base-Backbone interact. energy: -1.455
local terms energy: -107.149329
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -23.518
flat angles P-C4'-P energy: -16.056
tors. eta vs tors. theta energy: -27.706
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: 1
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -301.956774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.956774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.956774 (E_RNA)
where:
Base-Base interactions energy: -206.050
where: short stacking energy: -81.886
Base-Backbone interact. energy: -0.220
local terms energy: -95.686510
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -18.988
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -22.972
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: 7
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -297.413869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.413869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.413869 (E_RNA)
where:
Base-Base interactions energy: -196.230
where: short stacking energy: -83.474
Base-Backbone interact. energy: -1.590
local terms energy: -99.593986
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -22.440
flat angles P-C4'-P energy: -14.350
tors. eta vs tors. theta energy: -24.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -280.399404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.399404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.399404 (E_RNA)
where:
Base-Base interactions energy: -185.802
where: short stacking energy: -90.944
Base-Backbone interact. energy: -0.194
local terms energy: -94.403332
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -28.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -253.468535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.468535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.468535 (E_RNA)
where:
Base-Base interactions energy: -169.683
where: short stacking energy: -66.692
Base-Backbone interact. energy: -1.176
local terms energy: -82.609557
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -255.616030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.616030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.616030 (E_RNA)
where:
Base-Base interactions energy: -174.151
where: short stacking energy: -78.353
Base-Backbone interact. energy: -0.183
local terms energy: -81.281097
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -116.310639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.310639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.310639 (E_RNA)
where:
Base-Base interactions energy: -49.803
where: short stacking energy: -34.205
Base-Backbone interact. energy: -1.431
local terms energy: -65.076886
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -13.484
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -9.795
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: 8, replica: 10
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -104.729236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.729236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.729236 (E_RNA)
where:
Base-Base interactions energy: -32.903
where: short stacking energy: -32.025
Base-Backbone interact. energy: -0.084
local terms energy: -71.742439
where:
bonds (distance) C4'-P energy: -19.529
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -14.146
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -9.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -105.862199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.862199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.862199 (E_RNA)
where:
Base-Base interactions energy: -42.036
where: short stacking energy: -38.692
Base-Backbone interact. energy: -0.260
local terms energy: -63.566540
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -2.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -95.829251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.829251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.829251 (E_RNA)
where:
Base-Base interactions energy: -32.514
where: short stacking energy: -32.311
Base-Backbone interact. energy: -0.428
local terms energy: -62.887474
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -15.165
tors. eta vs tors. theta energy: -4.588
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: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -300.352303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.352303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.352303 (E_RNA)
where:
Base-Base interactions energy: -206.512
where: short stacking energy: -83.777
Base-Backbone interact. energy: -0.138
local terms energy: -93.702467
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -24.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -287.986509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.986509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.986509 (E_RNA)
where:
Base-Base interactions energy: -185.778
where: short stacking energy: -89.733
Base-Backbone interact. energy: -0.052
local terms energy: -102.156823
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -26.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -293.672078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.672078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.672078 (E_RNA)
where:
Base-Base interactions energy: -190.742
where: short stacking energy: -88.951
Base-Backbone interact. energy: -0.004
local terms energy: -102.926096
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -16.528
tors. eta vs tors. theta energy: -27.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -270.464991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.464991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.464991 (E_RNA)
where:
Base-Base interactions energy: -173.872
where: short stacking energy: -80.685
Base-Backbone interact. energy: -0.235
local terms energy: -96.358133
where:
bonds (distance) C4'-P energy: -19.721
bonds (distance) P-C4' energy: -20.131
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -12.060
tors. eta vs tors. theta energy: -24.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -268.339850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.339850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.339850 (E_RNA)
where:
Base-Base interactions energy: -169.716
where: short stacking energy: -82.254
Base-Backbone interact. energy: -0.310
local terms energy: -98.313428
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -20.909
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -26.365
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: 3
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -233.657862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.657862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.657862 (E_RNA)
where:
Base-Base interactions energy: -160.347
where: short stacking energy: -74.438
Base-Backbone interact. energy: -0.007
local terms energy: -73.303577
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -7.501
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: 7, replica: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -107.516522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.516522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.516522 (E_RNA)
where:
Base-Base interactions energy: -39.659
where: short stacking energy: -35.970
Base-Backbone interact. energy: -0.085
local terms energy: -67.771882
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -125.673388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.673388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.673388 (E_RNA)
where:
Base-Base interactions energy: -55.875
where: short stacking energy: -36.606
Base-Backbone interact. energy: 0.889
local terms energy: -70.686857
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -4.803
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: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -118.765751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.765751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.765751 (E_RNA)
where:
Base-Base interactions energy: -45.378
where: short stacking energy: -45.032
Base-Backbone interact. energy: -0.250
local terms energy: -73.138377
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -111.020262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.020262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.020262 (E_RNA)
where:
Base-Base interactions energy: -47.579
where: short stacking energy: -47.579
Base-Backbone interact. energy: -0.018
local terms energy: -63.423042
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -21.478
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -8.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -297.994274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.994274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.994274 (E_RNA)
where:
Base-Base interactions energy: -205.335
where: short stacking energy: -81.601
Base-Backbone interact. energy: -0.241
local terms energy: -92.417938
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -22.433
flat angles C4'-P-C4' energy: -22.878
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -300.076169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.076169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.076169 (E_RNA)
where:
Base-Base interactions energy: -198.822
where: short stacking energy: -85.361
Base-Backbone interact. energy: -3.549
local terms energy: -97.705164
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -25.562
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: 8
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -290.217979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.217979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.217979 (E_RNA)
where:
Base-Base interactions energy: -192.754
where: short stacking energy: -94.114
Base-Backbone interact. energy: -0.056
local terms energy: -97.408277
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -30.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -275.485286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.485286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.485286 (E_RNA)
where:
Base-Base interactions energy: -190.003
where: short stacking energy: -91.278
Base-Backbone interact. energy: -0.002
local terms energy: -85.479913
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -19.326
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -24.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -270.155481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.155481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.155481 (E_RNA)
where:
Base-Base interactions energy: -174.906
where: short stacking energy: -88.350
Base-Backbone interact. energy: -0.602
local terms energy: -94.648254
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -15.646
tors. eta vs tors. theta energy: -24.676
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: 3
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -220.361860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.361860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.361860 (E_RNA)
where:
Base-Base interactions energy: -133.302
where: short stacking energy: -58.469
Base-Backbone interact. energy: -0.422
local terms energy: -86.637933
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -20.234
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -16.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -111.049180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.049180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.049180 (E_RNA)
where:
Base-Base interactions energy: -52.561
where: short stacking energy: -42.946
Base-Backbone interact. energy: -1.125
local terms energy: -57.363039
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -18.295
flat angles C4'-P-C4' energy: -14.579
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -0.348
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: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -103.086813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.086813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.086813 (E_RNA)
where:
Base-Base interactions energy: -52.001
where: short stacking energy: -39.531
Base-Backbone interact. energy: -0.035
local terms energy: -51.049946
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -1.945
tors. eta vs tors. theta energy: -3.003
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: 5
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -103.540806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.540806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.540806 (E_RNA)
where:
Base-Base interactions energy: -38.281
where: short stacking energy: -38.243
Base-Backbone interact. energy: -0.227
local terms energy: -65.033063
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -3.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -89.397071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.397071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.397071 (E_RNA)
where:
Base-Base interactions energy: -24.026
where: short stacking energy: -22.408
Base-Backbone interact. energy: -0.404
local terms energy: -64.967406
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: 0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -287.375821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.375821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.375821 (E_RNA)
where:
Base-Base interactions energy: -197.578
where: short stacking energy: -91.261
Base-Backbone interact. energy: -0.017
local terms energy: -89.780659
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -23.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -292.099856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.099856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.099856 (E_RNA)
where:
Base-Base interactions energy: -198.950
where: short stacking energy: -82.396
Base-Backbone interact. energy: -1.353
local terms energy: -91.797282
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -13.861
tors. eta vs tors. theta energy: -20.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -287.852013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.852013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.852013 (E_RNA)
where:
Base-Base interactions energy: -187.964
where: short stacking energy: -91.321
Base-Backbone interact. energy: -1.431
local terms energy: -98.457462
where:
bonds (distance) C4'-P energy: -21.484
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -27.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -293.349509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.349509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.349509 (E_RNA)
where:
Base-Base interactions energy: -201.129
where: short stacking energy: -93.187
Base-Backbone interact. energy: -0.128
local terms energy: -92.092957
where:
bonds (distance) C4'-P energy: -18.524
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -25.345
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: 4
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -265.508857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.508857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.508857 (E_RNA)
where:
Base-Base interactions energy: -182.017
where: short stacking energy: -70.683
Base-Backbone interact. energy: 0.018
local terms energy: -83.510394
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -209.042598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.042598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.042598 (E_RNA)
where:
Base-Base interactions energy: -134.945
where: short stacking energy: -66.251
Base-Backbone interact. energy: -0.049
local terms energy: -74.048398
where:
bonds (distance) C4'-P energy: -16.832
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -7.858
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: 7, replica: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -117.996621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.996621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.996621 (E_RNA)
where:
Base-Base interactions energy: -45.632
where: short stacking energy: -36.948
Base-Backbone interact. energy: -0.198
local terms energy: -72.167410
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -21.199
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -7.170
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -94.032251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.032251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.032251 (E_RNA)
where:
Base-Base interactions energy: -37.854
where: short stacking energy: -26.822
Base-Backbone interact. energy: -0.271
local terms energy: -55.907282
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -1.925
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: 5
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -110.189975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.189975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.189975 (E_RNA)
where:
Base-Base interactions energy: -43.084
where: short stacking energy: -31.002
Base-Backbone interact. energy: -0.241
local terms energy: -66.864574
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -1.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -91.606512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.606512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.606512 (E_RNA)
where:
Base-Base interactions energy: -37.764
where: short stacking energy: -37.755
Base-Backbone interact. energy: -0.662
local terms energy: -53.180798
where:
bonds (distance) C4'-P energy: -19.768
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -19.746
flat angles P-C4'-P energy: -3.791
tors. eta vs tors. theta energy: 4.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -287.575644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.575644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.575644 (E_RNA)
where:
Base-Base interactions energy: -187.001
where: short stacking energy: -91.675
Base-Backbone interact. energy: -0.046
local terms energy: -100.528042
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -15.481
tors. eta vs tors. theta energy: -27.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -287.379308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.379308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.379308 (E_RNA)
where:
Base-Base interactions energy: -187.235
where: short stacking energy: -92.731
Base-Backbone interact. energy: -1.624
local terms energy: -98.520793
where:
bonds (distance) C4'-P energy: -17.946
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: -27.529
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: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -282.622428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.622428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.622428 (E_RNA)
where:
Base-Base interactions energy: -188.212
where: short stacking energy: -94.187
Base-Backbone interact. energy: -0.116
local terms energy: -94.294474
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -19.655
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -26.663
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: 4, replica: 4
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -282.764386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.764386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.764386 (E_RNA)
where:
Base-Base interactions energy: -192.724
where: short stacking energy: -90.556
Base-Backbone interact. energy: -0.307
local terms energy: -89.732839
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -10.998
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: 5, replica: 2
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -279.728649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.728649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.728649 (E_RNA)
where:
Base-Base interactions energy: -188.848
where: short stacking energy: -91.013
Base-Backbone interact. energy: -0.064
local terms energy: -90.815977
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -22.361
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: 6, replica: 3
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -196.954415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.954415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.954415 (E_RNA)
where:
Base-Base interactions energy: -128.834
where: short stacking energy: -60.811
Base-Backbone interact. energy: -0.115
local terms energy: -68.006304
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -151.988202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.988202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.988202 (E_RNA)
where:
Base-Base interactions energy: -72.712
where: short stacking energy: -40.331
Base-Backbone interact. energy: -0.110
local terms energy: -79.166991
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -8.186
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: 5
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -104.678040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.678040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.678040 (E_RNA)
where:
Base-Base interactions energy: -43.423
where: short stacking energy: -34.029
Base-Backbone interact. energy: -0.419
local terms energy: -60.836462
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -16.705
flat angles P-C4'-P energy: -9.077
tors. eta vs tors. theta energy: -0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -120.993223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.993223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.993223 (E_RNA)
where:
Base-Base interactions energy: -46.209
where: short stacking energy: -34.364
Base-Backbone interact. energy: -0.208
local terms energy: -74.576397
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -5.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -121.074918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.074918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.074918 (E_RNA)
where:
Base-Base interactions energy: -58.333
where: short stacking energy: -31.223
Base-Backbone interact. energy: -0.432
local terms energy: -62.310329
where:
bonds (distance) C4'-P energy: -12.054
bonds (distance) P-C4' energy: -21.274
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -282.703473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.703473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.703473 (E_RNA)
where:
Base-Base interactions energy: -186.299
where: short stacking energy: -85.306
Base-Backbone interact. energy: -0.075
local terms energy: -96.329450
where:
bonds (distance) C4'-P energy: -20.206
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -25.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -287.007613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.007613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.007613 (E_RNA)
where:
Base-Base interactions energy: -189.546
where: short stacking energy: -93.741
Base-Backbone interact. energy: -1.091
local terms energy: -96.370059
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -21.130
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -25.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -281.444999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.444999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.444999 (E_RNA)
where:
Base-Base interactions energy: -191.288
where: short stacking energy: -74.158
Base-Backbone interact. energy: -0.195
local terms energy: -89.962559
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -22.159
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -282.351450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.351450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.351450 (E_RNA)
where:
Base-Base interactions energy: -187.553
where: short stacking energy: -88.972
Base-Backbone interact. energy: -0.189
local terms energy: -94.609483
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -25.978
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: 2
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -272.192309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.192309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.192309 (E_RNA)
where:
Base-Base interactions energy: -183.012
where: short stacking energy: -88.164
Base-Backbone interact. energy: -0.125
local terms energy: -89.055330
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -14.472
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -27.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -199.703495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.703495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.703495 (E_RNA)
where:
Base-Base interactions energy: -128.234
where: short stacking energy: -65.082
Base-Backbone interact. energy: -0.111
local terms energy: -71.358083
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -6.064
tors. eta vs tors. theta energy: -15.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -138.851275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.851275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.851275 (E_RNA)
where:
Base-Base interactions energy: -73.147
where: short stacking energy: -42.629
Base-Backbone interact. energy: -0.143
local terms energy: -65.561620
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -7.402
tors. eta vs tors. theta energy: -9.052
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: 5
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -115.675950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.675950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.675950 (E_RNA)
where:
Base-Base interactions energy: -41.396
where: short stacking energy: -41.396
Base-Backbone interact. energy: -0.001
local terms energy: -74.278676
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -121.422974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.422974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.422974 (E_RNA)
where:
Base-Base interactions energy: -66.755
where: short stacking energy: -35.241
Base-Backbone interact. energy: -1.157
local terms energy: -53.510472
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -2.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -104.536257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.536257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.536257 (E_RNA)
where:
Base-Base interactions energy: -51.442
where: short stacking energy: -43.381
Base-Backbone interact. energy: 1.454
local terms energy: -54.547438
where:
bonds (distance) C4'-P energy: -10.129
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -6.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -299.489392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.489392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.489392 (E_RNA)
where:
Base-Base interactions energy: -203.151
where: short stacking energy: -90.615
Base-Backbone interact. energy: -0.754
local terms energy: -95.584730
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -20.568
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -22.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -292.576266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.576266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.576266 (E_RNA)
where:
Base-Base interactions energy: -203.469
where: short stacking energy: -86.016
Base-Backbone interact. energy: -0.898
local terms energy: -88.209085
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -19.787
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -287.796381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.796381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.796381 (E_RNA)
where:
Base-Base interactions energy: -190.338
where: short stacking energy: -86.715
Base-Backbone interact. energy: -0.603
local terms energy: -96.856241
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -26.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -283.250213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.250213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.250213 (E_RNA)
where:
Base-Base interactions energy: -185.609
where: short stacking energy: -90.316
Base-Backbone interact. energy: -0.006
local terms energy: -97.634962
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -26.081
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: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -285.071042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.071042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.071042 (E_RNA)
where:
Base-Base interactions energy: -191.922
where: short stacking energy: -88.222
Base-Backbone interact. energy: -0.039
local terms energy: -93.110745
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -25.432
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: 3
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -184.046997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.046997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.046997 (E_RNA)
where:
Base-Base interactions energy: -105.823
where: short stacking energy: -55.852
Base-Backbone interact. energy: -0.139
local terms energy: -78.085026
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -10.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -136.054010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.054010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.054010 (E_RNA)
where:
Base-Base interactions energy: -76.093
where: short stacking energy: -31.851
Base-Backbone interact. energy: -0.708
local terms energy: -59.253307
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -6.631
tors. eta vs tors. theta energy: -2.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -115.172667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.172667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.172667 (E_RNA)
where:
Base-Base interactions energy: -47.160
where: short stacking energy: -38.817
Base-Backbone interact. energy: -0.194
local terms energy: -67.818217
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -11.629
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -11.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -116.172166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.172166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.172166 (E_RNA)
where:
Base-Base interactions energy: -63.805
where: short stacking energy: -28.649
Base-Backbone interact. energy: -0.781
local terms energy: -51.586272
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -16.264
flat angles C4'-P-C4' energy: -12.531
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -97.219026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.219026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.219026 (E_RNA)
where:
Base-Base interactions energy: -37.094
where: short stacking energy: -37.094
Base-Backbone interact. energy: 1.708
local terms energy: -61.833664
where:
bonds (distance) C4'-P energy: -10.409
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -14.529
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -6.232
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: 8
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -299.785830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.785830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.785830 (E_RNA)
where:
Base-Base interactions energy: -197.166
where: short stacking energy: -80.726
Base-Backbone interact. energy: -0.455
local terms energy: -102.163895
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -23.473
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -20.522
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: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -300.588970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.588970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.588970 (E_RNA)
where:
Base-Base interactions energy: -207.470
where: short stacking energy: -89.939
Base-Backbone interact. energy: -0.546
local terms energy: -92.572940
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -22.190
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -14.977
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: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -282.263768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.263768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.263768 (E_RNA)
where:
Base-Base interactions energy: -190.927
where: short stacking energy: -86.050
Base-Backbone interact. energy: -0.540
local terms energy: -90.796839
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -19.154
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -22.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -278.639229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.639229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.639229 (E_RNA)
where:
Base-Base interactions energy: -189.420
where: short stacking energy: -90.595
Base-Backbone interact. energy: -0.011
local terms energy: -89.208424
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -20.027
flat angles P-C4'-P energy: -11.368
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: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -270.878981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.878981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.878981 (E_RNA)
where:
Base-Base interactions energy: -188.323
where: short stacking energy: -91.468
Base-Backbone interact. energy: -0.606
local terms energy: -81.949849
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -10.612
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: 6, replica: 3
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -197.164885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.164885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.164885 (E_RNA)
where:
Base-Base interactions energy: -111.955
where: short stacking energy: -66.462
Base-Backbone interact. energy: -0.152
local terms energy: -85.057491
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -17.966
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -108.011980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.011980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.011980 (E_RNA)
where:
Base-Base interactions energy: -39.987
where: short stacking energy: -36.591
Base-Backbone interact. energy: -0.068
local terms energy: -67.956833
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -8.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -95.901392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.901392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.901392 (E_RNA)
where:
Base-Base interactions energy: -36.688
where: short stacking energy: -25.581
Base-Backbone interact. energy: -0.387
local terms energy: -58.826061
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -6.401
tors. eta vs tors. theta energy: 5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -121.427725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.427725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.427725 (E_RNA)
where:
Base-Base interactions energy: -58.110
where: short stacking energy: -33.299
Base-Backbone interact. energy: -0.288
local terms energy: -63.029219
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: 0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -88.466541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.466541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.466541 (E_RNA)
where:
Base-Base interactions energy: -37.690
where: short stacking energy: -29.895
Base-Backbone interact. energy: 2.231
local terms energy: -53.007482
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -8.333
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -0.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -293.267601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.267601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.267601 (E_RNA)
where:
Base-Base interactions energy: -198.473
where: short stacking energy: -85.013
Base-Backbone interact. energy: -0.128
local terms energy: -94.666943
where:
bonds (distance) C4'-P energy: -19.034
bonds (distance) P-C4' energy: -20.024
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -15.059
tors. eta vs tors. theta energy: -22.493
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: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -303.040197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.040197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.040197 (E_RNA)
where:
Base-Base interactions energy: -209.078
where: short stacking energy: -92.858
Base-Backbone interact. energy: -0.030
local terms energy: -93.932854
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -17.909
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -17.510
tors. eta vs tors. theta energy: -24.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -289.810839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.810839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.810839 (E_RNA)
where:
Base-Base interactions energy: -203.614
where: short stacking energy: -90.731
Base-Backbone interact. energy: -0.008
local terms energy: -86.188915
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -23.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -295.023408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.023408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.023408 (E_RNA)
where:
Base-Base interactions energy: -205.489
where: short stacking energy: -91.507
Base-Backbone interact. energy: -0.090
local terms energy: -89.444385
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -21.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -274.703133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.703133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.703133 (E_RNA)
where:
Base-Base interactions energy: -197.284
where: short stacking energy: -82.631
Base-Backbone interact. energy: -0.114
local terms energy: -77.304852
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -7.129
flat angles C4'-P-C4' energy: -19.378
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -20.182
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: 61
Temperature: 1.150000
Total energy: -214.254669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.254669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.254669 (E_RNA)
where:
Base-Base interactions energy: -133.576
where: short stacking energy: -73.302
Base-Backbone interact. energy: -0.478
local terms energy: -80.200480
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -19.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -119.494720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.494720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.494720 (E_RNA)
where:
Base-Base interactions energy: -47.026
where: short stacking energy: -44.198
Base-Backbone interact. energy: -0.503
local terms energy: -71.965242
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -9.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -156.575323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.575323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.575323 (E_RNA)
where:
Base-Base interactions energy: -97.759
where: short stacking energy: -52.439
Base-Backbone interact. energy: 0.184
local terms energy: -58.999519
where:
bonds (distance) C4'-P energy: -10.828
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -6.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -95.932110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.932110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.932110 (E_RNA)
where:
Base-Base interactions energy: -33.287
where: short stacking energy: -18.414
Base-Backbone interact. energy: -0.411
local terms energy: -62.233860
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: 4.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -98.407783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.407783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.407783 (E_RNA)
where:
Base-Base interactions energy: -41.162
where: short stacking energy: -35.696
Base-Backbone interact. energy: -0.937
local terms energy: -56.308100
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -8.336
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -4.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -306.077752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.077752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.077752 (E_RNA)
where:
Base-Base interactions energy: -209.032
where: short stacking energy: -92.196
Base-Backbone interact. energy: -0.005
local terms energy: -97.040021
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -27.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -289.099320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.099320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.099320 (E_RNA)
where:
Base-Base interactions energy: -198.605
where: short stacking energy: -79.537
Base-Backbone interact. energy: -0.728
local terms energy: -89.765600
where:
bonds (distance) C4'-P energy: -20.457
bonds (distance) P-C4' energy: -20.361
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -10.631
tors. eta vs tors. theta energy: -19.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -294.726350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.726350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.726350 (E_RNA)
where:
Base-Base interactions energy: -201.155
where: short stacking energy: -98.006
Base-Backbone interact. energy: -0.172
local terms energy: -93.398834
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -11.318
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: 4, replica: 7
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -287.234718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.234718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.234718 (E_RNA)
where:
Base-Base interactions energy: -197.847
where: short stacking energy: -84.453
Base-Backbone interact. energy: -0.475
local terms energy: -88.913151
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: -23.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -266.844542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.844542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.844542 (E_RNA)
where:
Base-Base interactions energy: -182.092
where: short stacking energy: -83.902
Base-Backbone interact. energy: -0.303
local terms energy: -84.450159
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -23.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -200.041659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.041659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.041659 (E_RNA)
where:
Base-Base interactions energy: -117.737
where: short stacking energy: -53.594
Base-Backbone interact. energy: -1.333
local terms energy: -80.971443
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -178.115718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.115718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.115718 (E_RNA)
where:
Base-Base interactions energy: -117.024
where: short stacking energy: -46.401
Base-Backbone interact. energy: -0.205
local terms energy: -60.886616
where:
bonds (distance) C4'-P energy: -14.718
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -5.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -102.310306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.310306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.310306 (E_RNA)
where:
Base-Base interactions energy: -35.361
where: short stacking energy: -28.199
Base-Backbone interact. energy: -0.912
local terms energy: -66.036857
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -22.284
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -5.051
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: 9, replica: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -104.797039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.797039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.797039 (E_RNA)
where:
Base-Base interactions energy: -48.491
where: short stacking energy: -42.574
Base-Backbone interact. energy: 0.183
local terms energy: -56.489139
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -11.971
flat angles P-C4'-P energy: -5.975
tors. eta vs tors. theta energy: -5.738
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: 9
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -107.119656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.119656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.119656 (E_RNA)
where:
Base-Base interactions energy: -41.845
where: short stacking energy: -31.313
Base-Backbone interact. energy: -0.607
local terms energy: -64.667706
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -2.173
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: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -301.245554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.245554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.245554 (E_RNA)
where:
Base-Base interactions energy: -197.295
where: short stacking energy: -95.438
Base-Backbone interact. energy: -0.795
local terms energy: -103.155541
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -23.520
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -26.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -301.583625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.583625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.583625 (E_RNA)
where:
Base-Base interactions energy: -199.038
where: short stacking energy: -96.663
Base-Backbone interact. energy: -0.005
local terms energy: -102.540986
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -15.052
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: 3, replica: 8
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -274.864124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.864124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.864124 (E_RNA)
where:
Base-Base interactions energy: -183.349
where: short stacking energy: -80.678
Base-Backbone interact. energy: -0.313
local terms energy: -91.202049
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -20.257
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -291.699917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.699917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.699917 (E_RNA)
where:
Base-Base interactions energy: -195.201
where: short stacking energy: -89.951
Base-Backbone interact. energy: -1.063
local terms energy: -95.435599
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -16.895
tors. eta vs tors. theta energy: -24.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -269.932787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.932787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.932787 (E_RNA)
where:
Base-Base interactions energy: -176.909
where: short stacking energy: -86.463
Base-Backbone interact. energy: 0.893
local terms energy: -93.916908
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -24.490
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: 6, replica: 3
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -191.847416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.847416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.847416 (E_RNA)
where:
Base-Base interactions energy: -117.100
where: short stacking energy: -58.675
Base-Backbone interact. energy: -0.292
local terms energy: -74.454997
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -12.092
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: 5
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -167.723253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.723253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.723253 (E_RNA)
where:
Base-Base interactions energy: -101.392
where: short stacking energy: -57.854
Base-Backbone interact. energy: 1.437
local terms energy: -67.767911
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -6.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -139.819056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.819056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.819056 (E_RNA)
where:
Base-Base interactions energy: -71.943
where: short stacking energy: -39.998
Base-Backbone interact. energy: 1.189
local terms energy: -69.064998
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -5.393
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: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -94.035119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.035119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.035119 (E_RNA)
where:
Base-Base interactions energy: -26.624
where: short stacking energy: -26.277
Base-Backbone interact. energy: -0.201
local terms energy: -67.210863
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -4.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -94.519093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.519093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.519093 (E_RNA)
where:
Base-Base interactions energy: -33.698
where: short stacking energy: -30.125
Base-Backbone interact. energy: -0.375
local terms energy: -60.446297
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: 0.068
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: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -302.288196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.288196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.288196 (E_RNA)
where:
Base-Base interactions energy: -193.935
where: short stacking energy: -98.423
Base-Backbone interact. energy: -0.152
local terms energy: -108.200948
where:
bonds (distance) C4'-P energy: -19.092
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -17.087
tors. eta vs tors. theta energy: -30.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -291.263044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.263044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.263044 (E_RNA)
where:
Base-Base interactions energy: -195.497
where: short stacking energy: -76.796
Base-Backbone interact. energy: -0.255
local terms energy: -95.510902
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -22.320
flat angles P-C4'-P energy: -16.622
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: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -295.975830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.975830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.975830 (E_RNA)
where:
Base-Base interactions energy: -200.284
where: short stacking energy: -87.995
Base-Backbone interact. energy: -0.287
local terms energy: -95.404706
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -24.729
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: 8
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -287.119416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.119416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.119416 (E_RNA)
where:
Base-Base interactions energy: -185.543
where: short stacking energy: -86.558
Base-Backbone interact. energy: -0.212
local terms energy: -101.364526
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -20.350
flat angles C4'-P-C4' energy: -21.587
flat angles P-C4'-P energy: -14.142
tors. eta vs tors. theta energy: -27.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -271.096089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.096089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.096089 (E_RNA)
where:
Base-Base interactions energy: -177.202
where: short stacking energy: -85.276
Base-Backbone interact. energy: -0.512
local terms energy: -93.381877
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -20.867
flat angles P-C4'-P energy: -12.349
tors. eta vs tors. theta energy: -24.356
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: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -240.583919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.583919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.583919 (E_RNA)
where:
Base-Base interactions energy: -154.428
where: short stacking energy: -72.421
Base-Backbone interact. energy: -0.019
local terms energy: -86.137015
where:
bonds (distance) C4'-P energy: -17.510
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -23.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -155.547112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.547112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.547112 (E_RNA)
where:
Base-Base interactions energy: -86.978
where: short stacking energy: -44.329
Base-Backbone interact. energy: -0.586
local terms energy: -67.983407
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -9.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -172.110650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.110650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.110650 (E_RNA)
where:
Base-Base interactions energy: -97.073
where: short stacking energy: -51.502
Base-Backbone interact. energy: -1.626
local terms energy: -73.412225
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -11.631
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: 9, replica: 9
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -111.835087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.835087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.835087 (E_RNA)
where:
Base-Base interactions energy: -60.808
where: short stacking energy: -46.326
Base-Backbone interact. energy: -0.392
local terms energy: -50.635093
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -6.936
tors. eta vs tors. theta energy: -3.900
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: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -102.194116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.194116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.194116 (E_RNA)
where:
Base-Base interactions energy: -45.239
where: short stacking energy: -43.394
Base-Backbone interact. energy: -0.178
local terms energy: -56.777559
where:
bonds (distance) C4'-P energy: -8.387
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -3.104
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: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -305.737949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.737949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.737949 (E_RNA)
where:
Base-Base interactions energy: -219.363
where: short stacking energy: -92.000
Base-Backbone interact. energy: -0.029
local terms energy: -86.346422
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -12.984
flat angles C4'-P-C4' energy: -22.014
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -22.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -299.012429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.012429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.012429 (E_RNA)
where:
Base-Base interactions energy: -198.441
where: short stacking energy: -95.382
Base-Backbone interact. energy: 0.841
local terms energy: -101.412411
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -21.592
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -26.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -283.804015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.804015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.804015 (E_RNA)
where:
Base-Base interactions energy: -192.473
where: short stacking energy: -90.011
Base-Backbone interact. energy: -0.160
local terms energy: -91.171549
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -24.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -268.179036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.179036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.179036 (E_RNA)
where:
Base-Base interactions energy: -180.948
where: short stacking energy: -81.521
Base-Backbone interact. energy: -0.183
local terms energy: -87.048108
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -16.499
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -25.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -266.930893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.930893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.930893 (E_RNA)
where:
Base-Base interactions energy: -177.148
where: short stacking energy: -80.733
Base-Backbone interact. energy: -0.073
local terms energy: -89.710224
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -16.191
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -23.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -233.947031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.947031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.947031 (E_RNA)
where:
Base-Base interactions energy: -155.645
where: short stacking energy: -66.729
Base-Backbone interact. energy: 0.631
local terms energy: -78.932792
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -14.430
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: 7, replica: 10
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -190.571919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.571919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.571919 (E_RNA)
where:
Base-Base interactions energy: -119.738
where: short stacking energy: -61.545
Base-Backbone interact. energy: 0.216
local terms energy: -71.049903
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -5.838
tors. eta vs tors. theta energy: -13.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -176.121011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.121011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.121011 (E_RNA)
where:
Base-Base interactions energy: -107.078
where: short stacking energy: -47.402
Base-Backbone interact. energy: 0.968
local terms energy: -70.010748
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -21.564
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -6.146
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: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -100.790556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.790556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.790556 (E_RNA)
where:
Base-Base interactions energy: -43.976
where: short stacking energy: -39.620
Base-Backbone interact. energy: -0.057
local terms energy: -56.757691
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -0.875
tors. eta vs tors. theta energy: -6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -91.228767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.228767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.228767 (E_RNA)
where:
Base-Base interactions energy: -29.879
where: short stacking energy: -24.228
Base-Backbone interact. energy: -0.074
local terms energy: -61.274929
where:
bonds (distance) C4'-P energy: -20.350
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -313.738429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.738429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.738429 (E_RNA)
where:
Base-Base interactions energy: -210.904
where: short stacking energy: -96.822
Base-Backbone interact. energy: -0.864
local terms energy: -101.970665
where:
bonds (distance) C4'-P energy: -20.570
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -26.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -305.832155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.832155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.832155 (E_RNA)
where:
Base-Base interactions energy: -202.807
where: short stacking energy: -94.976
Base-Backbone interact. energy: -0.013
local terms energy: -103.011632
where:
bonds (distance) C4'-P energy: -21.523
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -26.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -297.291281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.291281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.291281 (E_RNA)
where:
Base-Base interactions energy: -200.450
where: short stacking energy: -89.441
Base-Backbone interact. energy: -0.231
local terms energy: -96.609863
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -23.861
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: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -259.253170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.253170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.253170 (E_RNA)
where:
Base-Base interactions energy: -171.007
where: short stacking energy: -72.337
Base-Backbone interact. energy: -0.395
local terms energy: -87.851756
where:
bonds (distance) C4'-P energy: -18.002
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -14.361
tors. eta vs tors. theta energy: -20.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -272.168940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.168940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.168940 (E_RNA)
where:
Base-Base interactions energy: -183.455
where: short stacking energy: -88.692
Base-Backbone interact. energy: 0.488
local terms energy: -89.201513
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -16.873
tors. eta vs tors. theta energy: -23.727
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: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -257.359775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.359775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.359775 (E_RNA)
where:
Base-Base interactions energy: -171.214
where: short stacking energy: -83.163
Base-Backbone interact. energy: -0.100
local terms energy: -86.045027
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -10.466
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -15.538
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: 7, replica: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -193.966609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.966609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.966609 (E_RNA)
where:
Base-Base interactions energy: -118.675
where: short stacking energy: -65.016
Base-Backbone interact. energy: -0.026
local terms energy: -75.265691
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -1.668
tors. eta vs tors. theta energy: -18.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -230.937969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.937969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.937969 (E_RNA)
where:
Base-Base interactions energy: -152.447
where: short stacking energy: -63.990
Base-Backbone interact. energy: -0.266
local terms energy: -78.225131
where:
bonds (distance) C4'-P energy: -19.503
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -11.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -89.812152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.812152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.812152 (E_RNA)
where:
Base-Base interactions energy: -42.162
where: short stacking energy: -30.419
Base-Backbone interact. energy: -0.278
local terms energy: -47.372861
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: 2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -92.792648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.792648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.792648 (E_RNA)
where:
Base-Base interactions energy: -42.497
where: short stacking energy: -42.497
Base-Backbone interact. energy: -0.271
local terms energy: -50.024708
where:
bonds (distance) C4'-P energy: -12.168
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -7.663
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -2.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -303.929247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.929247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.929247 (E_RNA)
where:
Base-Base interactions energy: -202.113
where: short stacking energy: -93.373
Base-Backbone interact. energy: -0.005
local terms energy: -101.811296
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -23.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -316.458868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.458868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.458868 (E_RNA)
where:
Base-Base interactions energy: -224.909
where: short stacking energy: -102.096
Base-Backbone interact. energy: -0.005
local terms energy: -91.545616
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -25.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -290.995511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.995511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.995511 (E_RNA)
where:
Base-Base interactions energy: -200.139
where: short stacking energy: -91.151
Base-Backbone interact. energy: -0.821
local terms energy: -90.034716
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -28.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -278.820737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.820737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.820737 (E_RNA)
where:
Base-Base interactions energy: -191.781
where: short stacking energy: -86.209
Base-Backbone interact. energy: -0.103
local terms energy: -86.936744
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -23.671
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: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -265.509981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.509981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.509981 (E_RNA)
where:
Base-Base interactions energy: -168.697
where: short stacking energy: -74.679
Base-Backbone interact. energy: -0.114
local terms energy: -96.698913
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -22.102
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -25.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -258.926527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.926527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.926527 (E_RNA)
where:
Base-Base interactions energy: -167.364
where: short stacking energy: -77.083
Base-Backbone interact. energy: 1.396
local terms energy: -92.957847
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -20.181
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -23.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -193.995719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.995719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.995719 (E_RNA)
where:
Base-Base interactions energy: -125.074
where: short stacking energy: -46.822
Base-Backbone interact. energy: -0.282
local terms energy: -68.640116
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -21.919
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -5.974
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: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -209.039496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.039496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.039496 (E_RNA)
where:
Base-Base interactions energy: -139.900
where: short stacking energy: -59.821
Base-Backbone interact. energy: -0.340
local terms energy: -68.799730
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -11.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -104.848555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.848555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.848555 (E_RNA)
where:
Base-Base interactions energy: -37.796
where: short stacking energy: -35.174
Base-Backbone interact. energy: -0.094
local terms energy: -66.959030
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: 0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -95.961774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.961774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.961774 (E_RNA)
where:
Base-Base interactions energy: -41.589
where: short stacking energy: -39.565
Base-Backbone interact. energy: -0.205
local terms energy: -54.167693
where:
bonds (distance) C4'-P energy: -10.457
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -4.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -311.630570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.630570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.630570 (E_RNA)
where:
Base-Base interactions energy: -211.437
where: short stacking energy: -87.822
Base-Backbone interact. energy: -0.879
local terms energy: -99.314147
where:
bonds (distance) C4'-P energy: -20.110
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -20.767
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -25.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -303.337643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.337643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.337643 (E_RNA)
where:
Base-Base interactions energy: -206.352
where: short stacking energy: -84.512
Base-Backbone interact. energy: -0.181
local terms energy: -96.804082
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -15.963
tors. eta vs tors. theta energy: -21.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -277.190205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.190205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.190205 (E_RNA)
where:
Base-Base interactions energy: -186.413
where: short stacking energy: -87.052
Base-Backbone interact. energy: -0.684
local terms energy: -90.092470
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -22.432
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: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -291.849108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.849108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.849108 (E_RNA)
where:
Base-Base interactions energy: -196.984
where: short stacking energy: -84.547
Base-Backbone interact. energy: -0.007
local terms energy: -94.858494
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -24.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -253.221087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.221087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.221087 (E_RNA)
where:
Base-Base interactions energy: -171.164
where: short stacking energy: -80.942
Base-Backbone interact. energy: -0.018
local terms energy: -82.039212
where:
bonds (distance) C4'-P energy: -9.462
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -10.890
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: 6, replica: 8
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -252.045506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.045506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.045506 (E_RNA)
where:
Base-Base interactions energy: -164.410
where: short stacking energy: -70.422
Base-Backbone interact. energy: -1.892
local terms energy: -85.742807
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -15.053
tors. eta vs tors. theta energy: -18.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -180.135785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.135785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.135785 (E_RNA)
where:
Base-Base interactions energy: -110.871
where: short stacking energy: -53.882
Base-Backbone interact. energy: -0.708
local terms energy: -68.557441
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -5.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -183.634221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.634221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.634221 (E_RNA)
where:
Base-Base interactions energy: -117.786
where: short stacking energy: -53.547
Base-Backbone interact. energy: -0.282
local terms energy: -65.565699
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -8.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -118.490934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.490934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.490934 (E_RNA)
where:
Base-Base interactions energy: -49.614
where: short stacking energy: -34.073
Base-Backbone interact. energy: 0.743
local terms energy: -69.620423
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -14.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -94.324034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.324034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.324034 (E_RNA)
where:
Base-Base interactions energy: -34.035
where: short stacking energy: -34.035
Base-Backbone interact. energy: -0.242
local terms energy: -60.047413
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -303.401473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.401473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.401473 (E_RNA)
where:
Base-Base interactions energy: -203.538
where: short stacking energy: -92.525
Base-Backbone interact. energy: -0.676
local terms energy: -99.187459
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -26.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -298.109426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.109426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.109426 (E_RNA)
where:
Base-Base interactions energy: -202.590
where: short stacking energy: -86.884
Base-Backbone interact. energy: -0.093
local terms energy: -95.425912
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -25.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -274.568578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.568578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.568578 (E_RNA)
where:
Base-Base interactions energy: -172.981
where: short stacking energy: -84.839
Base-Backbone interact. energy: -0.029
local terms energy: -101.558527
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -22.190
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -24.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -262.144776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.144776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.144776 (E_RNA)
where:
Base-Base interactions energy: -171.776
where: short stacking energy: -87.449
Base-Backbone interact. energy: -0.040
local terms energy: -90.329092
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -15.249
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: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -279.970791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.970791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.970791 (E_RNA)
where:
Base-Base interactions energy: -199.148
where: short stacking energy: -91.245
Base-Backbone interact. energy: -0.105
local terms energy: -80.717466
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.239
flat angles C4'-P-C4' energy: -19.256
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -21.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -255.255083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.255083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.255083 (E_RNA)
where:
Base-Base interactions energy: -168.691
where: short stacking energy: -81.263
Base-Backbone interact. energy: -0.077
local terms energy: -86.486165
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -18.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -189.823577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.823577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.823577 (E_RNA)
where:
Base-Base interactions energy: -110.815
where: short stacking energy: -55.031
Base-Backbone interact. energy: -0.451
local terms energy: -78.556840
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -7.153
tors. eta vs tors. theta energy: -11.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -180.817843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.817843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.817843 (E_RNA)
where:
Base-Base interactions energy: -105.842
where: short stacking energy: -48.854
Base-Backbone interact. energy: -0.122
local terms energy: -74.853717
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -8.769
tors. eta vs tors. theta energy: -9.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -92.566548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.566548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.566548 (E_RNA)
where:
Base-Base interactions energy: -36.161
where: short stacking energy: -34.298
Base-Backbone interact. energy: -0.415
local terms energy: -55.989897
where:
bonds (distance) C4'-P energy: -7.512
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -12.845
tors. eta vs tors. theta energy: -3.211
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: 6
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -88.907867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.907867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.907867 (E_RNA)
where:
Base-Base interactions energy: -25.759
where: short stacking energy: -21.464
Base-Backbone interact. energy: -0.059
local terms energy: -63.090094
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -311.215771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.215771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.215771 (E_RNA)
where:
Base-Base interactions energy: -206.787
where: short stacking energy: -94.158
Base-Backbone interact. energy: -2.457
local terms energy: -101.971673
where:
bonds (distance) C4'-P energy: -18.640
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -18.058
tors. eta vs tors. theta energy: -26.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -306.753785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.753785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.753785 (E_RNA)
where:
Base-Base interactions energy: -214.198
where: short stacking energy: -96.502
Base-Backbone interact. energy: -0.011
local terms energy: -92.545093
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -13.968
tors. eta vs tors. theta energy: -21.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -279.527893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.527893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.527893 (E_RNA)
where:
Base-Base interactions energy: -173.905
where: short stacking energy: -79.177
Base-Backbone interact. energy: -0.045
local terms energy: -105.577965
where:
bonds (distance) C4'-P energy: -20.507
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -23.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -259.563852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.563852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.563852 (E_RNA)
where:
Base-Base interactions energy: -182.490
where: short stacking energy: -90.596
Base-Backbone interact. energy: -0.090
local terms energy: -76.984082
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -13.318
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -25.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -272.725037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.725037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.725037 (E_RNA)
where:
Base-Base interactions energy: -184.824
where: short stacking energy: -87.509
Base-Backbone interact. energy: -1.154
local terms energy: -86.747509
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -13.062
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: 8
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -255.624677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.624677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.624677 (E_RNA)
where:
Base-Base interactions energy: -163.523
where: short stacking energy: -71.345
Base-Backbone interact. energy: -0.082
local terms energy: -92.019734
where:
bonds (distance) C4'-P energy: -20.337
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -15.493
tors. eta vs tors. theta energy: -22.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -180.774504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.774504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.774504 (E_RNA)
where:
Base-Base interactions energy: -110.848
where: short stacking energy: -66.352
Base-Backbone interact. energy: 1.483
local terms energy: -71.409076
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -220.012604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.012604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.012604 (E_RNA)
where:
Base-Base interactions energy: -138.695
where: short stacking energy: -68.280
Base-Backbone interact. energy: -0.184
local terms energy: -81.133544
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -19.038
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: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -95.292859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.292859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.292859 (E_RNA)
where:
Base-Base interactions energy: -42.057
where: short stacking energy: -37.530
Base-Backbone interact. energy: 0.903
local terms energy: -54.138587
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -10.631
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -9.989
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: 10, replica: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -86.838785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.838785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.838785 (E_RNA)
where:
Base-Base interactions energy: -30.057
where: short stacking energy: -30.057
Base-Backbone interact. energy: -0.428
local terms energy: -56.353008
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -4.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -307.562683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.562683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.562683 (E_RNA)
where:
Base-Base interactions energy: -210.987
where: short stacking energy: -93.173
Base-Backbone interact. energy: -2.475
local terms energy: -94.100930
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -24.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -309.675782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.675782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.675782 (E_RNA)
where:
Base-Base interactions energy: -211.568
where: short stacking energy: -94.950
Base-Backbone interact. energy: -0.170
local terms energy: -97.938516
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -25.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -282.763308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.763308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.763308 (E_RNA)
where:
Base-Base interactions energy: -188.449
where: short stacking energy: -88.270
Base-Backbone interact. energy: -0.906
local terms energy: -93.408433
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -22.131
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -22.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -271.404048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.404048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.404048 (E_RNA)
where:
Base-Base interactions energy: -169.366
where: short stacking energy: -84.727
Base-Backbone interact. energy: -0.502
local terms energy: -101.535626
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -16.040
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: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -251.210453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.210453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.210453 (E_RNA)
where:
Base-Base interactions energy: -160.436
where: short stacking energy: -74.516
Base-Backbone interact. energy: -0.798
local terms energy: -89.975907
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -241.485391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.485391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.485391 (E_RNA)
where:
Base-Base interactions energy: -162.744
where: short stacking energy: -80.239
Base-Backbone interact. energy: -0.277
local terms energy: -78.464625
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -7.593
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: 10
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -208.240106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.240106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.240106 (E_RNA)
where:
Base-Base interactions energy: -129.991
where: short stacking energy: -64.281
Base-Backbone interact. energy: -0.026
local terms energy: -78.222849
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -21.460
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -11.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -209.180033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.180033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.180033 (E_RNA)
where:
Base-Base interactions energy: -128.489
where: short stacking energy: -55.436
Base-Backbone interact. energy: -0.219
local terms energy: -80.472360
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -101.517327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.517327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.517327 (E_RNA)
where:
Base-Base interactions energy: -31.283
where: short stacking energy: -31.107
Base-Backbone interact. energy: -0.394
local terms energy: -69.839631
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -6.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -91.678042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.678042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.678042 (E_RNA)
where:
Base-Base interactions energy: -35.094
where: short stacking energy: -30.774
Base-Backbone interact. energy: -0.121
local terms energy: -56.463096
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -8.676
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -2.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -314.076135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.076135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.076135 (E_RNA)
where:
Base-Base interactions energy: -219.781
where: short stacking energy: -97.987
Base-Backbone interact. energy: 0.376
local terms energy: -94.670693
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -23.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -288.775600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.775600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.775600 (E_RNA)
where:
Base-Base interactions energy: -193.143
where: short stacking energy: -94.018
Base-Backbone interact. energy: -0.000
local terms energy: -95.632702
where:
bonds (distance) C4'-P energy: -20.331
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -27.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -280.602030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.602030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.602030 (E_RNA)
where:
Base-Base interactions energy: -182.255
where: short stacking energy: -83.575
Base-Backbone interact. energy: -0.432
local terms energy: -97.915495
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -12.088
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: 4, replica: 1
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -288.626718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.626718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.626718 (E_RNA)
where:
Base-Base interactions energy: -208.297
where: short stacking energy: -84.299
Base-Backbone interact. energy: -0.080
local terms energy: -80.249725
where:
bonds (distance) C4'-P energy: -7.913
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -20.565
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -22.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -269.417589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.417589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.417589 (E_RNA)
where:
Base-Base interactions energy: -167.630
where: short stacking energy: -84.008
Base-Backbone interact. energy: -0.337
local terms energy: -101.450015
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -21.021
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -24.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -250.093705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.093705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.093705 (E_RNA)
where:
Base-Base interactions energy: -162.635
where: short stacking energy: -81.615
Base-Backbone interact. energy: -0.007
local terms energy: -87.451112
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -21.471
flat angles P-C4'-P energy: -9.308
tors. eta vs tors. theta energy: -21.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -203.002440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.002440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.002440 (E_RNA)
where:
Base-Base interactions energy: -128.284
where: short stacking energy: -70.057
Base-Backbone interact. energy: 0.379
local terms energy: -75.097119
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -15.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -158.928386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.928386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.928386 (E_RNA)
where:
Base-Base interactions energy: -91.700
where: short stacking energy: -56.598
Base-Backbone interact. energy: -0.193
local terms energy: -67.036104
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -16.813
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -8.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -101.047518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.047518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.047518 (E_RNA)
where:
Base-Base interactions energy: -39.548
where: short stacking energy: -33.662
Base-Backbone interact. energy: -0.220
local terms energy: -61.279766
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -9.195
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: 72
Temperature: 1.350000
Total energy: -104.437190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.437190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.437190 (E_RNA)
where:
Base-Base interactions energy: -48.095
where: short stacking energy: -47.995
Base-Backbone interact. energy: -0.271
local terms energy: -56.071772
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -8.056
flat angles C4'-P-C4' energy: -11.622
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -9.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -315.063647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.063647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.063647 (E_RNA)
where:
Base-Base interactions energy: -224.416
where: short stacking energy: -92.487
Base-Backbone interact. energy: -0.436
local terms energy: -90.210754
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -13.600
flat angles C4'-P-C4' energy: -22.206
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -21.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -295.243025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.243025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.243025 (E_RNA)
where:
Base-Base interactions energy: -189.731
where: short stacking energy: -82.596
Base-Backbone interact. energy: -1.387
local terms energy: -104.124401
where:
bonds (distance) C4'-P energy: -22.479
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -21.238
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -28.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -298.248035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.248035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.248035 (E_RNA)
where:
Base-Base interactions energy: -202.953
where: short stacking energy: -90.655
Base-Backbone interact. energy: -0.110
local terms energy: -95.184522
where:
bonds (distance) C4'-P energy: -19.413
bonds (distance) P-C4' energy: -18.335
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -23.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -289.051663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.051663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.051663 (E_RNA)
where:
Base-Base interactions energy: -198.173
where: short stacking energy: -86.522
Base-Backbone interact. energy: -0.148
local terms energy: -90.730315
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -14.655
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -247.503794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.503794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.503794 (E_RNA)
where:
Base-Base interactions energy: -162.639
where: short stacking energy: -72.182
Base-Backbone interact. energy: -0.554
local terms energy: -84.311583
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -20.230
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -240.140710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.140710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.140710 (E_RNA)
where:
Base-Base interactions energy: -155.740
where: short stacking energy: -68.590
Base-Backbone interact. energy: -0.831
local terms energy: -83.570253
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -24.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -191.629535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.629535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.629535 (E_RNA)
where:
Base-Base interactions energy: -123.715
where: short stacking energy: -55.780
Base-Backbone interact. energy: 0.394
local terms energy: -68.308620
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -5.222
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: 9
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -104.272082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.272082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.272082 (E_RNA)
where:
Base-Base interactions energy: -47.302
where: short stacking energy: -43.579
Base-Backbone interact. energy: 0.776
local terms energy: -57.746422
where:
bonds (distance) C4'-P energy: -10.222
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -6.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -124.840498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.840498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.840498 (E_RNA)
where:
Base-Base interactions energy: -71.344
where: short stacking energy: -34.559
Base-Backbone interact. energy: -0.395
local terms energy: -53.101860
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -9.834
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -6.055
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: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -92.719362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.719362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.719362 (E_RNA)
where:
Base-Base interactions energy: -27.466
where: short stacking energy: -27.466
Base-Backbone interact. energy: -0.145
local terms energy: -65.108330
where:
bonds (distance) C4'-P energy: -18.416
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -14.043
tors. eta vs tors. theta energy: -3.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -303.521054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.521054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.521054 (E_RNA)
where:
Base-Base interactions energy: -198.116
where: short stacking energy: -84.694
Base-Backbone interact. energy: -0.933
local terms energy: -104.471911
where:
bonds (distance) C4'-P energy: -17.685
bonds (distance) P-C4' energy: -24.058
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -26.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -296.984798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.984798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.984798 (E_RNA)
where:
Base-Base interactions energy: -200.825
where: short stacking energy: -98.440
Base-Backbone interact. energy: -0.331
local terms energy: -95.828729
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -26.397
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: 74
Temperature: 1.000000
Total energy: -289.051114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.051114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.051114 (E_RNA)
where:
Base-Base interactions energy: -196.890
where: short stacking energy: -85.021
Base-Backbone interact. energy: -0.634
local terms energy: -91.526951
where:
bonds (distance) C4'-P energy: -18.897
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -22.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -292.138767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.138767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.138767 (E_RNA)
where:
Base-Base interactions energy: -201.784
where: short stacking energy: -82.012
Base-Backbone interact. energy: -0.185
local terms energy: -90.169399
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -26.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -256.272786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.272786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.272786 (E_RNA)
where:
Base-Base interactions energy: -164.777
where: short stacking energy: -82.932
Base-Backbone interact. energy: 2.131
local terms energy: -93.625801
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -18.232
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -24.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -257.275459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.275459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.275459 (E_RNA)
where:
Base-Base interactions energy: -168.793
where: short stacking energy: -80.494
Base-Backbone interact. energy: -0.009
local terms energy: -88.473440
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -24.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -201.964297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.964297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.964297 (E_RNA)
where:
Base-Base interactions energy: -119.453
where: short stacking energy: -61.958
Base-Backbone interact. energy: -0.321
local terms energy: -82.190813
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -12.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -103.905214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.905214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.905214 (E_RNA)
where:
Base-Base interactions energy: -39.624
where: short stacking energy: -40.206
Base-Backbone interact. energy: -0.091
local terms energy: -64.190665
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: -7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -99.924690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.924690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.924690 (E_RNA)
where:
Base-Base interactions energy: -51.627
where: short stacking energy: -41.456
Base-Backbone interact. energy: -0.122
local terms energy: -48.176432
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -4.358
tors. eta vs tors. theta energy: -3.864
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: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -107.745284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.745284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.745284 (E_RNA)
where:
Base-Base interactions energy: -47.670
where: short stacking energy: -30.721
Base-Backbone interact. energy: -0.191
local terms energy: -59.884263
where:
bonds (distance) C4'-P energy: -12.116
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -4.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -303.186834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.186834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.186834 (E_RNA)
where:
Base-Base interactions energy: -206.749
where: short stacking energy: -98.924
Base-Backbone interact. energy: 0.178
local terms energy: -96.616066
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -12.043
tors. eta vs tors. theta energy: -27.368
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: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -299.398791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.398791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.398791 (E_RNA)
where:
Base-Base interactions energy: -197.317
where: short stacking energy: -89.267
Base-Backbone interact. energy: -0.563
local terms energy: -101.518128
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -22.549
flat angles C4'-P-C4' energy: -20.983
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -23.162
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: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -298.582954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.582954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.582954 (E_RNA)
where:
Base-Base interactions energy: -203.757
where: short stacking energy: -86.128
Base-Backbone interact. energy: -0.443
local terms energy: -94.383470
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -20.255
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -17.164
tors. eta vs tors. theta energy: -21.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -289.290748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.290748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.290748 (E_RNA)
where:
Base-Base interactions energy: -206.292
where: short stacking energy: -85.054
Base-Backbone interact. energy: -0.124
local terms energy: -82.874988
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -13.764
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -25.253
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: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -252.540868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.540868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.540868 (E_RNA)
where:
Base-Base interactions energy: -160.124
where: short stacking energy: -79.523
Base-Backbone interact. energy: -0.018
local terms energy: -92.398636
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -21.431
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -22.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -257.756098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.756098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.756098 (E_RNA)
where:
Base-Base interactions energy: -166.029
where: short stacking energy: -80.445
Base-Backbone interact. energy: 0.595
local terms energy: -92.322127
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -20.901
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -22.369
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: 10
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -212.558598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.558598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.558598 (E_RNA)
where:
Base-Base interactions energy: -131.311
where: short stacking energy: -69.205
Base-Backbone interact. energy: -0.153
local terms energy: -81.095276
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -94.016110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.016110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.016110 (E_RNA)
where:
Base-Base interactions energy: -32.723
where: short stacking energy: -31.595
Base-Backbone interact. energy: -0.304
local terms energy: -60.989191
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -11.488
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: 2.278
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: 9, replica: 9
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -95.426963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.426963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.426963 (E_RNA)
where:
Base-Base interactions energy: -38.147
where: short stacking energy: -30.073
Base-Backbone interact. energy: -0.213
local terms energy: -57.066731
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -0.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -85.946001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.946001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.946001 (E_RNA)
where:
Base-Base interactions energy: -31.029
where: short stacking energy: -30.691
Base-Backbone interact. energy: -0.262
local terms energy: -54.655520
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: 0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -295.627996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.627996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.627996 (E_RNA)
where:
Base-Base interactions energy: -204.358
where: short stacking energy: -87.762
Base-Backbone interact. energy: -1.398
local terms energy: -89.871655
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -17.601
flat angles P-C4'-P energy: -14.671
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -284.269460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.269460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.269460 (E_RNA)
where:
Base-Base interactions energy: -180.080
where: short stacking energy: -83.382
Base-Backbone interact. energy: -0.126
local terms energy: -104.062832
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -20.942
flat angles C4'-P-C4' energy: -23.311
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -26.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -304.319434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.319434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.319434 (E_RNA)
where:
Base-Base interactions energy: -205.820
where: short stacking energy: -95.144
Base-Backbone interact. energy: -0.040
local terms energy: -98.459210
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -16.670
tors. eta vs tors. theta energy: -22.259
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: 1
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -283.714020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.714020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.714020 (E_RNA)
where:
Base-Base interactions energy: -191.744
where: short stacking energy: -91.760
Base-Backbone interact. energy: -1.310
local terms energy: -90.659859
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -25.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -283.381812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.381812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.381812 (E_RNA)
where:
Base-Base interactions energy: -184.802
where: short stacking energy: -86.162
Base-Backbone interact. energy: -0.253
local terms energy: -98.326940
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -22.597
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -27.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -256.812013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.812013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.812013 (E_RNA)
where:
Base-Base interactions energy: -173.628
where: short stacking energy: -85.922
Base-Backbone interact. energy: -0.551
local terms energy: -82.633460
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -9.557
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: -28.443
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: 10
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -236.167594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.167594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.167594 (E_RNA)
where:
Base-Base interactions energy: -161.099
where: short stacking energy: -72.300
Base-Backbone interact. energy: -1.507
local terms energy: -73.561220
where:
bonds (distance) C4'-P energy: -8.922
bonds (distance) P-C4' energy: -17.429
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -5.376
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: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -118.045901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.045901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.045901 (E_RNA)
where:
Base-Base interactions energy: -44.088
where: short stacking energy: -39.286
Base-Backbone interact. energy: -0.187
local terms energy: -73.771038
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -118.910451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.910451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.910451 (E_RNA)
where:
Base-Base interactions energy: -45.265
where: short stacking energy: -39.859
Base-Backbone interact. energy: -0.149
local terms energy: -73.496883
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -6.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -85.386452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.386452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.386452 (E_RNA)
where:
Base-Base interactions energy: -27.918
where: short stacking energy: -26.996
Base-Backbone interact. energy: -0.123
local terms energy: -57.345378
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -18.883
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: 0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -314.058528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.058528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.058528 (E_RNA)
where:
Base-Base interactions energy: -216.951
where: short stacking energy: -85.308
Base-Backbone interact. energy: -0.068
local terms energy: -97.039188
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -12.970
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: 2, replica: 2
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -289.354141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.354141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.354141 (E_RNA)
where:
Base-Base interactions energy: -188.003
where: short stacking energy: -83.731
Base-Backbone interact. energy: -0.302
local terms energy: -101.049404
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -19.229
tors. eta vs tors. theta energy: -22.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -277.771693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.771693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.771693 (E_RNA)
where:
Base-Base interactions energy: -185.562
where: short stacking energy: -87.810
Base-Backbone interact. energy: -0.397
local terms energy: -91.813509
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -24.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -279.091159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.091159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.091159 (E_RNA)
where:
Base-Base interactions energy: -179.040
where: short stacking energy: -89.781
Base-Backbone interact. energy: -1.070
local terms energy: -98.980722
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -11.919
tors. eta vs tors. theta energy: -26.950
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: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -265.891250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.891250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.891250 (E_RNA)
where:
Base-Base interactions energy: -166.901
where: short stacking energy: -75.057
Base-Backbone interact. energy: -0.150
local terms energy: -98.840803
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -21.825
flat angles C4'-P-C4' energy: -21.702
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -257.902397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.902397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.902397 (E_RNA)
where:
Base-Base interactions energy: -166.151
where: short stacking energy: -80.872
Base-Backbone interact. energy: -0.226
local terms energy: -91.525923
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -22.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -252.937116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.937116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.937116 (E_RNA)
where:
Base-Base interactions energy: -166.522
where: short stacking energy: -79.655
Base-Backbone interact. energy: -0.094
local terms energy: -86.321516
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -21.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -129.893561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.893561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.893561 (E_RNA)
where:
Base-Base interactions energy: -55.048
where: short stacking energy: -50.706
Base-Backbone interact. energy: 0.690
local terms energy: -75.535143
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -22.292
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -7.943
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: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -99.489198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.489198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.489198 (E_RNA)
where:
Base-Base interactions energy: -39.649
where: short stacking energy: -32.379
Base-Backbone interact. energy: -0.518
local terms energy: -59.321962
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -0.647
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: 6
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -102.745322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.745322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.745322 (E_RNA)
where:
Base-Base interactions energy: -40.437
where: short stacking energy: -38.126
Base-Backbone interact. energy: -0.385
local terms energy: -61.923662
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -4.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -307.514276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.514276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.514276 (E_RNA)
where:
Base-Base interactions energy: -208.333
where: short stacking energy: -101.160
Base-Backbone interact. energy: -0.018
local terms energy: -99.163210
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -18.286
tors. eta vs tors. theta energy: -23.435
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: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -285.600375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.600375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.600375 (E_RNA)
where:
Base-Base interactions energy: -182.510
where: short stacking energy: -87.719
Base-Backbone interact. energy: -0.005
local terms energy: -103.085110
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -16.489
tors. eta vs tors. theta energy: -25.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -279.465256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.465256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.465256 (E_RNA)
where:
Base-Base interactions energy: -183.403
where: short stacking energy: -84.010
Base-Backbone interact. energy: -0.162
local terms energy: -95.899999
where:
bonds (distance) C4'-P energy: -20.066
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -24.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -275.772278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.772278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.772278 (E_RNA)
where:
Base-Base interactions energy: -180.936
where: short stacking energy: -83.950
Base-Backbone interact. energy: 0.614
local terms energy: -95.450593
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -27.480
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: 10
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -270.468027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.468027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.468027 (E_RNA)
where:
Base-Base interactions energy: -171.812
where: short stacking energy: -89.174
Base-Backbone interact. energy: -0.052
local terms energy: -98.603623
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -22.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -265.574053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.574053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.574053 (E_RNA)
where:
Base-Base interactions energy: -176.441
where: short stacking energy: -78.569
Base-Backbone interact. energy: -0.352
local terms energy: -88.781381
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -19.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -223.555723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.555723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.555723 (E_RNA)
where:
Base-Base interactions energy: -151.552
where: short stacking energy: -70.873
Base-Backbone interact. energy: -0.346
local terms energy: -71.656898
where:
bonds (distance) C4'-P energy: -19.634
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -16.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -145.672513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.672513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.672513 (E_RNA)
where:
Base-Base interactions energy: -78.572
where: short stacking energy: -50.296
Base-Backbone interact. energy: -0.479
local terms energy: -66.621301
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -11.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -100.001343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.001343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.001343 (E_RNA)
where:
Base-Base interactions energy: -38.882
where: short stacking energy: -24.154
Base-Backbone interact. energy: -2.101
local terms energy: -59.018456
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: 3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -94.578155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.578155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.578155 (E_RNA)
where:
Base-Base interactions energy: -32.633
where: short stacking energy: -32.544
Base-Backbone interact. energy: -1.086
local terms energy: -60.859393
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: 0.937
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: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -310.489767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.489767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.489767 (E_RNA)
where:
Base-Base interactions energy: -214.305
where: short stacking energy: -84.059
Base-Backbone interact. energy: -0.077
local terms energy: -96.107313
where:
bonds (distance) C4'-P energy: -21.344
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -14.115
tors. eta vs tors. theta energy: -20.981
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: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -299.268264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.268264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.268264 (E_RNA)
where:
Base-Base interactions energy: -205.018
where: short stacking energy: -84.535
Base-Backbone interact. energy: -0.724
local terms energy: -93.526023
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -24.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -285.393243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.393243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.393243 (E_RNA)
where:
Base-Base interactions energy: -183.643
where: short stacking energy: -94.600
Base-Backbone interact. energy: -0.630
local terms energy: -101.120289
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -22.120
flat angles P-C4'-P energy: -7.997
tors. eta vs tors. theta energy: -29.160
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: 4
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -267.953515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.953515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.953515 (E_RNA)
where:
Base-Base interactions energy: -177.771
where: short stacking energy: -79.730
Base-Backbone interact. energy: -0.021
local terms energy: -90.161751
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -20.750
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -265.730791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.730791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.730791 (E_RNA)
where:
Base-Base interactions energy: -175.102
where: short stacking energy: -68.864
Base-Backbone interact. energy: -0.145
local terms energy: -90.484543
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -13.999
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -239.651372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.651372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.651372 (E_RNA)
where:
Base-Base interactions energy: -155.146
where: short stacking energy: -68.631
Base-Backbone interact. energy: -0.009
local terms energy: -84.496164
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -21.911
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -21.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -265.385601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.385601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.385601 (E_RNA)
where:
Base-Base interactions energy: -190.699
where: short stacking energy: -80.847
Base-Backbone interact. energy: -0.006
local terms energy: -74.681172
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -19.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -99.280001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.280001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.280001 (E_RNA)
where:
Base-Base interactions energy: -38.808
where: short stacking energy: -34.656
Base-Backbone interact. energy: -0.064
local terms energy: -60.407300
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: 0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -96.439613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.439613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.439613 (E_RNA)
where:
Base-Base interactions energy: -36.883
where: short stacking energy: -27.101
Base-Backbone interact. energy: -0.295
local terms energy: -59.261691
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -0.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -90.108476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.108476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.108476 (E_RNA)
where:
Base-Base interactions energy: -25.486
where: short stacking energy: -21.000
Base-Backbone interact. energy: -0.113
local terms energy: -64.509367
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -20.796
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: 1.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -302.979518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.979518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.979518 (E_RNA)
where:
Base-Base interactions energy: -207.285
where: short stacking energy: -92.723
Base-Backbone interact. energy: -0.193
local terms energy: -95.501594
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -13.164
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: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -301.122890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.122890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.122890 (E_RNA)
where:
Base-Base interactions energy: -203.399
where: short stacking energy: -88.247
Base-Backbone interact. energy: -0.031
local terms energy: -97.692545
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -20.377
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -25.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -274.285550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.285550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.285550 (E_RNA)
where:
Base-Base interactions energy: -183.224
where: short stacking energy: -82.242
Base-Backbone interact. energy: -2.997
local terms energy: -88.064788
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -20.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -271.485963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.485963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.485963 (E_RNA)
where:
Base-Base interactions energy: -180.824
where: short stacking energy: -84.870
Base-Backbone interact. energy: -0.031
local terms energy: -90.631291
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -20.076
flat angles C4'-P-C4' energy: -21.640
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -25.424
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: 10
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -278.918096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.918096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.918096 (E_RNA)
where:
Base-Base interactions energy: -202.965
where: short stacking energy: -84.697
Base-Backbone interact. energy: -0.049
local terms energy: -75.904636
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -12.470
flat angles P-C4'-P energy: -9.342
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: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -248.206177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.206177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.206177 (E_RNA)
where:
Base-Base interactions energy: -159.746
where: short stacking energy: -67.075
Base-Backbone interact. energy: -0.135
local terms energy: -88.324838
where:
bonds (distance) C4'-P energy: -15.124
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -20.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -260.741941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.741941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.741941 (E_RNA)
where:
Base-Base interactions energy: -180.812
where: short stacking energy: -89.633
Base-Backbone interact. energy: -0.133
local terms energy: -79.796702
where:
bonds (distance) C4'-P energy: -12.870
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -111.221897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.221897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.221897 (E_RNA)
where:
Base-Base interactions energy: -38.629
where: short stacking energy: -38.629
Base-Backbone interact. energy: 0.044
local terms energy: -72.636826
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -98.959606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.959606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.959606 (E_RNA)
where:
Base-Base interactions energy: -39.913
where: short stacking energy: -26.759
Base-Backbone interact. energy: -0.154
local terms energy: -58.892712
where:
bonds (distance) C4'-P energy: -11.849
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -6.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -97.347652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.347652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.347652 (E_RNA)
where:
Base-Base interactions energy: -45.432
where: short stacking energy: -45.432
Base-Backbone interact. energy: -0.034
local terms energy: -51.882093
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -10.546
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -304.586337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.586337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.586337 (E_RNA)
where:
Base-Base interactions energy: -202.879
where: short stacking energy: -88.893
Base-Backbone interact. energy: -4.154
local terms energy: -97.552820
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -21.020
flat angles C4'-P-C4' energy: -22.052
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -24.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -307.615418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.615418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.615418 (E_RNA)
where:
Base-Base interactions energy: -210.633
where: short stacking energy: -98.514
Base-Backbone interact. energy: -1.344
local terms energy: -95.638850
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -21.279
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -26.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -283.693838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.693838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.693838 (E_RNA)
where:
Base-Base interactions energy: -184.812
where: short stacking energy: -93.302
Base-Backbone interact. energy: -0.351
local terms energy: -98.530047
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -21.020
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -26.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -293.237440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.237440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.237440 (E_RNA)
where:
Base-Base interactions energy: -208.168
where: short stacking energy: -90.281
Base-Backbone interact. energy: -0.242
local terms energy: -84.827002
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -22.156
flat angles P-C4'-P energy: -8.865
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: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -274.585060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.585060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.585060 (E_RNA)
where:
Base-Base interactions energy: -184.389
where: short stacking energy: -76.376
Base-Backbone interact. energy: -0.060
local terms energy: -90.135750
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -27.123
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: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -284.147098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.147098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.147098 (E_RNA)
where:
Base-Base interactions energy: -199.773
where: short stacking energy: -79.199
Base-Backbone interact. energy: 0.550
local terms energy: -84.923869
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -20.935
flat angles C4'-P-C4' energy: -15.183
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -21.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -231.694345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.694345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.694345 (E_RNA)
where:
Base-Base interactions energy: -141.715
where: short stacking energy: -65.336
Base-Backbone interact. energy: -0.168
local terms energy: -89.810936
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -14.286
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: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -106.988577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.988577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.988577 (E_RNA)
where:
Base-Base interactions energy: -48.442
where: short stacking energy: -40.383
Base-Backbone interact. energy: -0.173
local terms energy: -58.373427
where:
bonds (distance) C4'-P energy: -19.320
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -105.435969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.435969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.435969 (E_RNA)
where:
Base-Base interactions energy: -45.350
where: short stacking energy: -33.487
Base-Backbone interact. energy: -0.287
local terms energy: -59.799269
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -21.614
flat angles C4'-P-C4' energy: -11.789
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: 0.767
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: 10, replica: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -101.441403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.441403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.441403 (E_RNA)
where:
Base-Base interactions energy: -33.649
where: short stacking energy: -31.988
Base-Backbone interact. energy: 0.284
local terms energy: -68.076467
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -21.553
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -1.250
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: 7
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -309.762100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.762100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.762100 (E_RNA)
where:
Base-Base interactions energy: -208.819
where: short stacking energy: -84.641
Base-Backbone interact. energy: 0.717
local terms energy: -101.659762
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -26.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -291.088449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.088449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.088449 (E_RNA)
where:
Base-Base interactions energy: -203.956
where: short stacking energy: -87.281
Base-Backbone interact. energy: -0.560
local terms energy: -86.572450
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -19.951
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -20.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -289.047012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.047012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.047012 (E_RNA)
where:
Base-Base interactions energy: -187.019
where: short stacking energy: -86.765
Base-Backbone interact. energy: 3.039
local terms energy: -105.067115
where:
bonds (distance) C4'-P energy: -21.964
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -28.857
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: 4
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -268.979011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.979011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.979011 (E_RNA)
where:
Base-Base interactions energy: -174.676
where: short stacking energy: -75.538
Base-Backbone interact. energy: -0.971
local terms energy: -93.332262
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -27.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -272.974956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.974956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.974956 (E_RNA)
where:
Base-Base interactions energy: -189.275
where: short stacking energy: -84.108
Base-Backbone interact. energy: -0.167
local terms energy: -83.533569
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -13.367
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: 6, replica: 1
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -257.711951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.711951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.711951 (E_RNA)
where:
Base-Base interactions energy: -175.355
where: short stacking energy: -80.494
Base-Backbone interact. energy: -0.003
local terms energy: -82.354483
where:
bonds (distance) C4'-P energy: -11.826
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -25.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -237.398969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.398969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.398969 (E_RNA)
where:
Base-Base interactions energy: -150.765
where: short stacking energy: -60.212
Base-Backbone interact. energy: -0.175
local terms energy: -86.458734
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -16.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -120.007130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.007130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.007130 (E_RNA)
where:
Base-Base interactions energy: -56.651
where: short stacking energy: -44.020
Base-Backbone interact. energy: -0.983
local terms energy: -62.372709
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -17.970
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -2.155
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: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -103.586744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.586744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.586744 (E_RNA)
where:
Base-Base interactions energy: -38.847
where: short stacking energy: -36.652
Base-Backbone interact. energy: -0.341
local terms energy: -64.398795
where:
bonds (distance) C4'-P energy: -18.405
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -4.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -103.683004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.683004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.683004 (E_RNA)
where:
Base-Base interactions energy: -39.374
where: short stacking energy: -39.374
Base-Backbone interact. energy: 0.605
local terms energy: -64.913407
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -4.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -308.471555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.471555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.471555 (E_RNA)
where:
Base-Base interactions energy: -215.609
where: short stacking energy: -93.133
Base-Backbone interact. energy: -0.748
local terms energy: -92.114445
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -24.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -296.075753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.075753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.075753 (E_RNA)
where:
Base-Base interactions energy: -188.901
where: short stacking energy: -91.164
Base-Backbone interact. energy: -2.431
local terms energy: -104.743609
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -18.997
tors. eta vs tors. theta energy: -29.665
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: 3, replica: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -284.497695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.497695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.497695 (E_RNA)
where:
Base-Base interactions energy: -198.017
where: short stacking energy: -93.216
Base-Backbone interact. energy: -0.018
local terms energy: -86.462992
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -10.001
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: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -284.324634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.324634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.324634 (E_RNA)
where:
Base-Base interactions energy: -201.136
where: short stacking energy: -88.508
Base-Backbone interact. energy: -0.138
local terms energy: -83.051306
where:
bonds (distance) C4'-P energy: -11.827
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -20.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -272.867965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.867965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.867965 (E_RNA)
where:
Base-Base interactions energy: -191.574
where: short stacking energy: -81.089
Base-Backbone interact. energy: -0.217
local terms energy: -81.077392
where:
bonds (distance) C4'-P energy: -18.448
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -21.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -240.197344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.197344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.197344 (E_RNA)
where:
Base-Base interactions energy: -159.028
where: short stacking energy: -67.852
Base-Backbone interact. energy: 2.370
local terms energy: -83.539103
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -266.323900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.323900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.323900 (E_RNA)
where:
Base-Base interactions energy: -175.568
where: short stacking energy: -79.656
Base-Backbone interact. energy: -2.175
local terms energy: -88.581544
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -26.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -121.738147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.738147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.738147 (E_RNA)
where:
Base-Base interactions energy: -64.789
where: short stacking energy: -42.610
Base-Backbone interact. energy: -0.239
local terms energy: -56.709774
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -1.443
tors. eta vs tors. theta energy: -11.561
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: 83
Temperature: 1.300000
Total energy: -97.675027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.675027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.675027 (E_RNA)
where:
Base-Base interactions energy: -37.765
where: short stacking energy: -37.765
Base-Backbone interact. energy: -0.134
local terms energy: -59.775945
where:
bonds (distance) C4'-P energy: -20.330
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -3.982
tors. eta vs tors. theta energy: -3.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -90.220267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.220267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.220267 (E_RNA)
where:
Base-Base interactions energy: -35.650
where: short stacking energy: -20.958
Base-Backbone interact. energy: 0.084
local terms energy: -54.653740
where:
bonds (distance) C4'-P energy: -21.086
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -9.836
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: 4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -294.122441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.122441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.122441 (E_RNA)
where:
Base-Base interactions energy: -191.497
where: short stacking energy: -95.415
Base-Backbone interact. energy: -0.013
local terms energy: -102.612488
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -23.297
flat angles P-C4'-P energy: -13.626
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: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -304.920173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.920173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.920173 (E_RNA)
where:
Base-Base interactions energy: -210.369
where: short stacking energy: -93.414
Base-Backbone interact. energy: -0.448
local terms energy: -94.102718
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -27.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -291.534313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.534313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.534313 (E_RNA)
where:
Base-Base interactions energy: -200.498
where: short stacking energy: -95.899
Base-Backbone interact. energy: -0.234
local terms energy: -90.802929
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -26.598
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: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -282.317601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.317601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.317601 (E_RNA)
where:
Base-Base interactions energy: -191.034
where: short stacking energy: -89.735
Base-Backbone interact. energy: -0.216
local terms energy: -91.067457
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -26.597
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: 84
Temperature: 1.100000
Total energy: -269.452385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.452385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.452385 (E_RNA)
where:
Base-Base interactions energy: -181.600
where: short stacking energy: -87.425
Base-Backbone interact. energy: -0.072
local terms energy: -87.780229
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -23.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -255.386594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.386594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.386594 (E_RNA)
where:
Base-Base interactions energy: -162.976
where: short stacking energy: -70.406
Base-Backbone interact. energy: -0.162
local terms energy: -92.249345
where:
bonds (distance) C4'-P energy: -20.118
bonds (distance) P-C4' energy: -21.279
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -24.660
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: 1
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -258.932556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.932556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.932556 (E_RNA)
where:
Base-Base interactions energy: -175.380
where: short stacking energy: -82.947
Base-Backbone interact. energy: -0.280
local terms energy: -83.272995
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -26.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -116.366296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.366296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.366296 (E_RNA)
where:
Base-Base interactions energy: -64.035
where: short stacking energy: -53.507
Base-Backbone interact. energy: -0.155
local terms energy: -52.176120
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -109.518336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.518336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.518336 (E_RNA)
where:
Base-Base interactions energy: -44.236
where: short stacking energy: -30.553
Base-Backbone interact. energy: -0.079
local terms energy: -65.203951
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -3.862
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: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -97.744485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.744485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.744485 (E_RNA)
where:
Base-Base interactions energy: -34.050
where: short stacking energy: -31.425
Base-Backbone interact. energy: -0.180
local terms energy: -63.514473
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -298.650272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.650272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.650272 (E_RNA)
where:
Base-Base interactions energy: -202.352
where: short stacking energy: -93.044
Base-Backbone interact. energy: -0.001
local terms energy: -96.297188
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -16.364
tors. eta vs tors. theta energy: -26.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -300.783305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.783305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.783305 (E_RNA)
where:
Base-Base interactions energy: -205.442
where: short stacking energy: -88.591
Base-Backbone interact. energy: -0.178
local terms energy: -95.163300
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -21.270
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: -23.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -295.912807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.912807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.912807 (E_RNA)
where:
Base-Base interactions energy: -208.974
where: short stacking energy: -95.491
Base-Backbone interact. energy: -0.089
local terms energy: -86.850368
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -12.710
flat angles C4'-P-C4' energy: -16.839
flat angles P-C4'-P energy: -16.095
tors. eta vs tors. theta energy: -24.097
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: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -290.663546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.663546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.663546 (E_RNA)
where:
Base-Base interactions energy: -189.028
where: short stacking energy: -93.147
Base-Backbone interact. energy: -0.002
local terms energy: -101.632858
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -22.455
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -26.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -282.850442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.850442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.850442 (E_RNA)
where:
Base-Base interactions energy: -198.856
where: short stacking energy: -82.463
Base-Backbone interact. energy: -0.220
local terms energy: -83.773854
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -264.774672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.774672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.774672 (E_RNA)
where:
Base-Base interactions energy: -173.005
where: short stacking energy: -89.658
Base-Backbone interact. energy: -0.647
local terms energy: -91.123144
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -17.969
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -24.864
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: 85
Temperature: 1.200000
Total energy: -237.186449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.186449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.186449 (E_RNA)
where:
Base-Base interactions energy: -145.204
where: short stacking energy: -63.620
Base-Backbone interact. energy: -0.176
local terms energy: -91.806854
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -18.012
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: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -99.344034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.344034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.344034 (E_RNA)
where:
Base-Base interactions energy: -42.259
where: short stacking energy: -33.479
Base-Backbone interact. energy: -0.214
local terms energy: -56.870815
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: 2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -130.328333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.328333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.328333 (E_RNA)
where:
Base-Base interactions energy: -69.418
where: short stacking energy: -32.870
Base-Backbone interact. energy: -0.371
local terms energy: -60.539669
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: 0.964
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: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -85.195257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.195257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.195257 (E_RNA)
where:
Base-Base interactions energy: -24.089
where: short stacking energy: -15.281
Base-Backbone interact. energy: -0.016
local terms energy: -61.090318
where:
bonds (distance) C4'-P energy: -16.637
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -315.688315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.688315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.688315 (E_RNA)
where:
Base-Base interactions energy: -214.923
where: short stacking energy: -95.244
Base-Backbone interact. energy: -0.021
local terms energy: -100.744335
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -26.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -306.410529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.410529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.410529 (E_RNA)
where:
Base-Base interactions energy: -214.287
where: short stacking energy: -90.299
Base-Backbone interact. energy: -0.636
local terms energy: -91.487562
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -24.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -292.971048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.971048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.971048 (E_RNA)
where:
Base-Base interactions energy: -186.117
where: short stacking energy: -95.477
Base-Backbone interact. energy: -0.011
local terms energy: -106.843109
where:
bonds (distance) C4'-P energy: -22.719
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -16.012
tors. eta vs tors. theta energy: -28.214
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: 4, replica: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -282.696481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.696481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.696481 (E_RNA)
where:
Base-Base interactions energy: -181.665
where: short stacking energy: -90.217
Base-Backbone interact. energy: 0.166
local terms energy: -101.197056
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -21.701
flat angles C4'-P-C4' energy: -20.462
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -29.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -263.479904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.479904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.479904 (E_RNA)
where:
Base-Base interactions energy: -173.227
where: short stacking energy: -82.324
Base-Backbone interact. energy: -0.353
local terms energy: -89.899930
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -20.183
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -21.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -283.559447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.559447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.559447 (E_RNA)
where:
Base-Base interactions energy: -198.096
where: short stacking energy: -86.237
Base-Backbone interact. energy: -0.723
local terms energy: -84.739683
where:
bonds (distance) C4'-P energy: -21.572
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -191.417283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.417283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.417283 (E_RNA)
where:
Base-Base interactions energy: -108.023
where: short stacking energy: -58.623
Base-Backbone interact. energy: -0.027
local terms energy: -83.366960
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -18.515
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -112.786914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.786914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.786914 (E_RNA)
where:
Base-Base interactions energy: -41.186
where: short stacking energy: -41.186
Base-Backbone interact. energy: -0.149
local terms energy: -71.452496
where:
bonds (distance) C4'-P energy: -16.947
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -6.627
tors. eta vs tors. theta energy: -10.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -98.550822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.550822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.550822 (E_RNA)
where:
Base-Base interactions energy: -38.193
where: short stacking energy: -32.454
Base-Backbone interact. energy: 2.494
local terms energy: -62.851951
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -2.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -96.605323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.605323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.605323 (E_RNA)
where:
Base-Base interactions energy: -37.409
where: short stacking energy: -34.660
Base-Backbone interact. energy: -0.045
local terms energy: -59.150591
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -10.541
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -313.182022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.182022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.182022 (E_RNA)
where:
Base-Base interactions energy: -219.570
where: short stacking energy: -98.478
Base-Backbone interact. energy: -0.252
local terms energy: -93.360577
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -16.181
tors. eta vs tors. theta energy: -23.008
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: 10
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -305.881306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.881306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.881306 (E_RNA)
where:
Base-Base interactions energy: -196.202
where: short stacking energy: -89.486
Base-Backbone interact. energy: -2.323
local terms energy: -107.356682
where:
bonds (distance) C4'-P energy: -21.539
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -21.775
flat angles P-C4'-P energy: -17.406
tors. eta vs tors. theta energy: -24.478
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: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -291.378554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.378554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.378554 (E_RNA)
where:
Base-Base interactions energy: -196.791
where: short stacking energy: -99.410
Base-Backbone interact. energy: -0.031
local terms energy: -94.555925
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -22.756
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -27.673
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: 4, replica: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -283.501874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.501874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.501874 (E_RNA)
where:
Base-Base interactions energy: -190.550
where: short stacking energy: -99.881
Base-Backbone interact. energy: -0.004
local terms energy: -92.947987
where:
bonds (distance) C4'-P energy: -20.272
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -27.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -265.860288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.860288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.860288 (E_RNA)
where:
Base-Base interactions energy: -176.962
where: short stacking energy: -79.587
Base-Backbone interact. energy: 0.720
local terms energy: -89.618370
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -21.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -263.397741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.397741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.397741 (E_RNA)
where:
Base-Base interactions energy: -180.239
where: short stacking energy: -79.072
Base-Backbone interact. energy: -0.096
local terms energy: -83.062813
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -6.338
tors. eta vs tors. theta energy: -23.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -228.627303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.627303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.627303 (E_RNA)
where:
Base-Base interactions energy: -158.821
where: short stacking energy: -73.791
Base-Backbone interact. energy: -0.141
local terms energy: -69.666098
where:
bonds (distance) C4'-P energy: -10.767
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -7.257
tors. eta vs tors. theta energy: -20.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -104.999158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.999158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.999158 (E_RNA)
where:
Base-Base interactions energy: -38.456
where: short stacking energy: -34.310
Base-Backbone interact. energy: 1.473
local terms energy: -68.015629
where:
bonds (distance) C4'-P energy: -19.162
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -7.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -104.008100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.008100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.008100 (E_RNA)
where:
Base-Base interactions energy: -42.119
where: short stacking energy: -39.655
Base-Backbone interact. energy: -0.149
local terms energy: -61.740029
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -10.396
flat angles P-C4'-P energy: -6.463
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -91.413850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.413850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.413850 (E_RNA)
where:
Base-Base interactions energy: -40.630
where: short stacking energy: -31.830
Base-Backbone interact. energy: -0.109
local terms energy: -50.674887
where:
bonds (distance) C4'-P energy: -11.511
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -10.864
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -304.815579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.815579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.815579 (E_RNA)
where:
Base-Base interactions energy: -214.885
where: short stacking energy: -89.057
Base-Backbone interact. energy: -0.167
local terms energy: -89.763071
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -24.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -304.143139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.143139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.143139 (E_RNA)
where:
Base-Base interactions energy: -205.561
where: short stacking energy: -87.199
Base-Backbone interact. energy: -0.196
local terms energy: -98.385667
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -14.473
tors. eta vs tors. theta energy: -26.521
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: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -288.359513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.359513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.359513 (E_RNA)
where:
Base-Base interactions energy: -193.365
where: short stacking energy: -104.383
Base-Backbone interact. energy: -0.028
local terms energy: -94.967183
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -12.534
tors. eta vs tors. theta energy: -28.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -286.804129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.804129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.804129 (E_RNA)
where:
Base-Base interactions energy: -187.488
where: short stacking energy: -85.740
Base-Backbone interact. energy: -0.393
local terms energy: -98.922957
where:
bonds (distance) C4'-P energy: -19.547
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -28.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -278.593089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.593089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.593089 (E_RNA)
where:
Base-Base interactions energy: -185.549
where: short stacking energy: -84.668
Base-Backbone interact. energy: -0.185
local terms energy: -92.858708
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -24.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -249.540088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.540088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.540088 (E_RNA)
where:
Base-Base interactions energy: -171.050
where: short stacking energy: -77.728
Base-Backbone interact. energy: -0.346
local terms energy: -78.143971
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -23.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -253.517945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.517945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.517945 (E_RNA)
where:
Base-Base interactions energy: -164.459
where: short stacking energy: -78.796
Base-Backbone interact. energy: -0.377
local terms energy: -88.680964
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -23.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -109.412640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.412640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.412640 (E_RNA)
where:
Base-Base interactions energy: -43.642
where: short stacking energy: -43.564
Base-Backbone interact. energy: -0.236
local terms energy: -65.535066
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -11.695
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: 5
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -96.749972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.749972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.749972 (E_RNA)
where:
Base-Base interactions energy: -44.763
where: short stacking energy: -44.763
Base-Backbone interact. energy: -0.129
local terms energy: -51.857868
where:
bonds (distance) C4'-P energy: -6.611
bonds (distance) P-C4' energy: -22.799
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -2.983
tors. eta vs tors. theta energy: -2.699
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: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -90.630674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.630674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.630674 (E_RNA)
where:
Base-Base interactions energy: -31.999
where: short stacking energy: -31.999
Base-Backbone interact. energy: -0.253
local terms energy: -58.379451
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -304.819239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.819239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.819239 (E_RNA)
where:
Base-Base interactions energy: -207.661
where: short stacking energy: -81.693
Base-Backbone interact. energy: -0.345
local terms energy: -96.812504
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -21.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -296.623694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.623694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.623694 (E_RNA)
where:
Base-Base interactions energy: -203.141
where: short stacking energy: -90.677
Base-Backbone interact. energy: -0.057
local terms energy: -93.425353
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -22.098
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -25.234
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: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -281.100763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.100763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.100763 (E_RNA)
where:
Base-Base interactions energy: -191.649
where: short stacking energy: -85.841
Base-Backbone interact. energy: -0.182
local terms energy: -89.269883
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -24.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -294.133871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.133871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.133871 (E_RNA)
where:
Base-Base interactions energy: -194.821
where: short stacking energy: -89.900
Base-Backbone interact. energy: -0.852
local terms energy: -98.460501
where:
bonds (distance) C4'-P energy: -20.884
bonds (distance) P-C4' energy: -19.512
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -11.610
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: 5, replica: 4
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -272.347402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.347402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.347402 (E_RNA)
where:
Base-Base interactions energy: -175.427
where: short stacking energy: -81.528
Base-Backbone interact. energy: -0.009
local terms energy: -96.911989
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -15.927
tors. eta vs tors. theta energy: -25.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -234.562417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.562417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.562417 (E_RNA)
where:
Base-Base interactions energy: -160.828
where: short stacking energy: -78.123
Base-Backbone interact. energy: -0.131
local terms energy: -73.603699
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -11.257
flat angles C4'-P-C4' energy: -18.021
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -16.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -248.131627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.131627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.131627 (E_RNA)
where:
Base-Base interactions energy: -176.131
where: short stacking energy: -83.002
Base-Backbone interact. energy: 0.773
local terms energy: -72.772979
where:
bonds (distance) C4'-P energy: -10.464
bonds (distance) P-C4' energy: -12.250
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -7.678
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -123.530118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.530118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.530118 (E_RNA)
where:
Base-Base interactions energy: -54.272
where: short stacking energy: -33.985
Base-Backbone interact. energy: -0.186
local terms energy: -69.071958
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -21.963
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -10.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -105.275947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.275947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.275947 (E_RNA)
where:
Base-Base interactions energy: -47.784
where: short stacking energy: -41.564
Base-Backbone interact. energy: -0.298
local terms energy: -57.193682
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -9.721
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: -6.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -103.055508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.055508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.055508 (E_RNA)
where:
Base-Base interactions energy: -43.308
where: short stacking energy: -39.046
Base-Backbone interact. energy: -0.023
local terms energy: -59.725347
where:
bonds (distance) C4'-P energy: -14.017
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -6.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -304.617373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.617373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.617373 (E_RNA)
where:
Base-Base interactions energy: -202.731
where: short stacking energy: -94.845
Base-Backbone interact. energy: -1.819
local terms energy: -100.067237
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -18.911
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -29.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -311.836910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.836910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.836910 (E_RNA)
where:
Base-Base interactions energy: -217.489
where: short stacking energy: -82.736
Base-Backbone interact. energy: -0.127
local terms energy: -94.220793
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -22.713
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -23.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -305.522533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.522533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.522533 (E_RNA)
where:
Base-Base interactions energy: -207.896
where: short stacking energy: -83.795
Base-Backbone interact. energy: -0.574
local terms energy: -97.053101
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: -23.203
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: 4, replica: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -275.125108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.125108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.125108 (E_RNA)
where:
Base-Base interactions energy: -191.731
where: short stacking energy: -87.513
Base-Backbone interact. energy: -0.534
local terms energy: -82.859623
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -240.630454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.630454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.630454 (E_RNA)
where:
Base-Base interactions energy: -161.167
where: short stacking energy: -75.073
Base-Backbone interact. energy: -0.192
local terms energy: -79.271193
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -21.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -259.844259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.844259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.844259 (E_RNA)
where:
Base-Base interactions energy: -175.252
where: short stacking energy: -83.436
Base-Backbone interact. energy: -0.066
local terms energy: -84.526013
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -12.907
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -23.091
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: 7, replica: 1
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -250.873543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.873543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.873543 (E_RNA)
where:
Base-Base interactions energy: -168.179
where: short stacking energy: -72.082
Base-Backbone interact. energy: -0.614
local terms energy: -82.081039
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -19.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -131.183253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.183253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.183253 (E_RNA)
where:
Base-Base interactions energy: -56.826
where: short stacking energy: -37.376
Base-Backbone interact. energy: -0.166
local terms energy: -74.191374
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -22.181
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -8.922
tors. eta vs tors. theta energy: -6.347
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: 90
Temperature: 1.300000
Total energy: -122.958827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.958827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.958827 (E_RNA)
where:
Base-Base interactions energy: -61.113
where: short stacking energy: -41.629
Base-Backbone interact. energy: -0.095
local terms energy: -61.751393
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -4.084
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: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -90.589025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.589025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.589025 (E_RNA)
where:
Base-Base interactions energy: -28.952
where: short stacking energy: -28.952
Base-Backbone interact. energy: -0.059
local terms energy: -61.578901
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -11.345
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -311.769291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.769291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.769291 (E_RNA)
where:
Base-Base interactions energy: -215.654
where: short stacking energy: -86.810
Base-Backbone interact. energy: -0.804
local terms energy: -95.311732
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -20.851
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -23.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -305.255882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.255882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.255882 (E_RNA)
where:
Base-Base interactions energy: -211.737
where: short stacking energy: -76.323
Base-Backbone interact. energy: -0.259
local terms energy: -93.260733
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -12.032
tors. eta vs tors. theta energy: -22.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -293.536331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.536331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.536331 (E_RNA)
where:
Base-Base interactions energy: -203.810
where: short stacking energy: -81.159
Base-Backbone interact. energy: -0.524
local terms energy: -89.202502
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -22.504
flat angles P-C4'-P energy: -14.352
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -288.616612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.616612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.616612 (E_RNA)
where:
Base-Base interactions energy: -205.470
where: short stacking energy: -78.284
Base-Backbone interact. energy: -0.879
local terms energy: -82.267420
where:
bonds (distance) C4'-P energy: -19.924
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -17.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -243.946524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.946524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.946524 (E_RNA)
where:
Base-Base interactions energy: -162.909
where: short stacking energy: -77.522
Base-Backbone interact. energy: -2.145
local terms energy: -78.892038
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -259.180707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.180707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.180707 (E_RNA)
where:
Base-Base interactions energy: -170.722
where: short stacking energy: -83.768
Base-Backbone interact. energy: -0.948
local terms energy: -87.510455
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -9.996
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: 7, replica: 1
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -250.314195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.314195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.314195 (E_RNA)
where:
Base-Base interactions energy: -168.094
where: short stacking energy: -76.771
Base-Backbone interact. energy: -0.021
local terms energy: -82.199894
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -8.340
tors. eta vs tors. theta energy: -20.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -98.567022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.567022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.567022 (E_RNA)
where:
Base-Base interactions energy: -42.948
where: short stacking energy: -32.248
Base-Backbone interact. energy: -0.221
local terms energy: -55.397747
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -9.887
flat angles P-C4'-P energy: -11.509
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: 9, replica: 5
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -104.757915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.757915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.757915 (E_RNA)
where:
Base-Base interactions energy: -43.424
where: short stacking energy: -43.424
Base-Backbone interact. energy: -0.151
local terms energy: -61.182898
where:
bonds (distance) C4'-P energy: -10.594
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -8.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -90.509264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.509264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.509264 (E_RNA)
where:
Base-Base interactions energy: -31.373
where: short stacking energy: -20.949
Base-Backbone interact. energy: -0.817
local terms energy: -58.319802
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -1.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -292.801269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.801269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.801269 (E_RNA)
where:
Base-Base interactions energy: -201.146
where: short stacking energy: -100.305
Base-Backbone interact. energy: -0.003
local terms energy: -91.652517
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -22.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -295.753099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.753099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.753099 (E_RNA)
where:
Base-Base interactions energy: -198.285
where: short stacking energy: -84.452
Base-Backbone interact. energy: -0.062
local terms energy: -97.406090
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -21.511
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -14.634
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: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -298.627534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.627534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.627534 (E_RNA)
where:
Base-Base interactions energy: -208.609
where: short stacking energy: -81.856
Base-Backbone interact. energy: 0.285
local terms energy: -90.303487
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -19.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -285.846799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.846799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.846799 (E_RNA)
where:
Base-Base interactions energy: -199.092
where: short stacking energy: -79.748
Base-Backbone interact. energy: -0.188
local terms energy: -86.567028
where:
bonds (distance) C4'-P energy: -19.482
bonds (distance) P-C4' energy: -16.812
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -14.205
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: 5, replica: 4
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -266.928317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.928317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.928317 (E_RNA)
where:
Base-Base interactions energy: -179.409
where: short stacking energy: -79.179
Base-Backbone interact. energy: -0.258
local terms energy: -87.261086
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -23.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -248.741445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.741445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.741445 (E_RNA)
where:
Base-Base interactions energy: -168.326
where: short stacking energy: -75.015
Base-Backbone interact. energy: -0.105
local terms energy: -80.310777
where:
bonds (distance) C4'-P energy: -9.877
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -14.587
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: 7, replica: 1
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -242.236379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.236379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.236379 (E_RNA)
where:
Base-Base interactions energy: -164.108
where: short stacking energy: -80.792
Base-Backbone interact. energy: -0.358
local terms energy: -77.770564
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -19.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -120.919071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.919071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.919071 (E_RNA)
where:
Base-Base interactions energy: -63.864
where: short stacking energy: -28.476
Base-Backbone interact. energy: -0.358
local terms energy: -56.697436
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -105.507090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.507090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.507090 (E_RNA)
where:
Base-Base interactions energy: -37.186
where: short stacking energy: -30.232
Base-Backbone interact. energy: -0.019
local terms energy: -68.301336
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -20.126
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -0.539
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: 5
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -106.291164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.291164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.291164 (E_RNA)
where:
Base-Base interactions energy: -43.342
where: short stacking energy: -42.159
Base-Backbone interact. energy: -0.762
local terms energy: -62.187618
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -1.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -299.826397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.826397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.826397 (E_RNA)
where:
Base-Base interactions energy: -203.488
where: short stacking energy: -91.363
Base-Backbone interact. energy: -0.096
local terms energy: -96.242509
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -22.615
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -23.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -306.908837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.908837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.908837 (E_RNA)
where:
Base-Base interactions energy: -225.981
where: short stacking energy: -87.023
Base-Backbone interact. energy: 0.646
local terms energy: -81.573594
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -14.869
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -299.390842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.390842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.390842 (E_RNA)
where:
Base-Base interactions energy: -205.521
where: short stacking energy: -84.146
Base-Backbone interact. energy: -0.247
local terms energy: -93.622884
where:
bonds (distance) C4'-P energy: -20.178
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -288.630568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.630568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.630568 (E_RNA)
where:
Base-Base interactions energy: -202.361
where: short stacking energy: -84.944
Base-Backbone interact. energy: -0.109
local terms energy: -86.160546
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -18.099
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -22.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -257.718447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.718447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.718447 (E_RNA)
where:
Base-Base interactions energy: -173.134
where: short stacking energy: -81.656
Base-Backbone interact. energy: -0.925
local terms energy: -83.659246
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -10.968
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -9.670
tors. eta vs tors. theta energy: -21.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -252.401071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.401071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.401071 (E_RNA)
where:
Base-Base interactions energy: -167.479
where: short stacking energy: -72.036
Base-Backbone interact. energy: -0.102
local terms energy: -84.819669
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -19.392
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -20.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -224.302667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.302667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.302667 (E_RNA)
where:
Base-Base interactions energy: -139.646
where: short stacking energy: -62.296
Base-Backbone interact. energy: -0.384
local terms energy: -84.273435
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -12.189
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: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -141.550330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.550330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.550330 (E_RNA)
where:
Base-Base interactions energy: -74.361
where: short stacking energy: -42.535
Base-Backbone interact. energy: -0.362
local terms energy: -66.827141
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -8.699
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: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -115.927338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.927338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.927338 (E_RNA)
where:
Base-Base interactions energy: -57.677
where: short stacking energy: -44.328
Base-Backbone interact. energy: -0.167
local terms energy: -58.082622
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -6.388
tors. eta vs tors. theta energy: -4.084
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: 5
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -92.624043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.624043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.624043 (E_RNA)
where:
Base-Base interactions energy: -27.396
where: short stacking energy: -24.267
Base-Backbone interact. energy: 0.776
local terms energy: -66.004050
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: 0.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -294.397101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.397101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.397101 (E_RNA)
where:
Base-Base interactions energy: -197.547
where: short stacking energy: -87.994
Base-Backbone interact. energy: -0.103
local terms energy: -96.747530
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -22.312
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -15.589
tors. eta vs tors. theta energy: -22.412
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: 94
Temperature: 0.950000
Total energy: -302.281934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.281934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.281934 (E_RNA)
where:
Base-Base interactions energy: -207.132
where: short stacking energy: -82.184
Base-Backbone interact. energy: -0.664
local terms energy: -94.485101
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -12.794
tors. eta vs tors. theta energy: -23.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -289.267606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.267606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.267606 (E_RNA)
where:
Base-Base interactions energy: -194.856
where: short stacking energy: -85.070
Base-Backbone interact. energy: -0.128
local terms energy: -94.283920
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -19.303
flat angles P-C4'-P energy: -15.699
tors. eta vs tors. theta energy: -22.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -297.359257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.359257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.359257 (E_RNA)
where:
Base-Base interactions energy: -215.487
where: short stacking energy: -84.585
Base-Backbone interact. energy: -0.252
local terms energy: -81.620698
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -17.971
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -15.923
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: 1
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -255.802668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.802668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.802668 (E_RNA)
where:
Base-Base interactions energy: -166.501
where: short stacking energy: -81.940
Base-Backbone interact. energy: -0.330
local terms energy: -88.971854
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -19.054
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -22.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -268.243596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.243596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.243596 (E_RNA)
where:
Base-Base interactions energy: -178.879
where: short stacking energy: -76.207
Base-Backbone interact. energy: -0.027
local terms energy: -89.337296
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -26.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -266.981267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.981267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.981267 (E_RNA)
where:
Base-Base interactions energy: -172.521
where: short stacking energy: -81.593
Base-Backbone interact. energy: -0.162
local terms energy: -94.297720
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -28.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -131.692177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.692177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.692177 (E_RNA)
where:
Base-Base interactions energy: -76.893
where: short stacking energy: -41.409
Base-Backbone interact. energy: -0.087
local terms energy: -54.712865
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -3.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -102.127677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.127677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.127677 (E_RNA)
where:
Base-Base interactions energy: -27.787
where: short stacking energy: -24.785
Base-Backbone interact. energy: -0.059
local terms energy: -74.281309
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -14.598
tors. eta vs tors. theta energy: -5.805
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: 5
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -108.123656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.123656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.123656 (E_RNA)
where:
Base-Base interactions energy: -41.235
where: short stacking energy: -37.502
Base-Backbone interact. energy: -0.903
local terms energy: -65.985536
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -300.946383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.946383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.946383 (E_RNA)
where:
Base-Base interactions energy: -191.900
where: short stacking energy: -98.173
Base-Backbone interact. energy: -0.095
local terms energy: -108.951014
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -30.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -301.949050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.949050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.949050 (E_RNA)
where:
Base-Base interactions energy: -206.259
where: short stacking energy: -85.326
Base-Backbone interact. energy: -2.009
local terms energy: -93.681302
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -18.067
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -291.551673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.551673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.551673 (E_RNA)
where:
Base-Base interactions energy: -204.849
where: short stacking energy: -83.015
Base-Backbone interact. energy: 0.308
local terms energy: -87.010404
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -19.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -276.639220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.639220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.639220 (E_RNA)
where:
Base-Base interactions energy: -181.617
where: short stacking energy: -82.703
Base-Backbone interact. energy: -0.997
local terms energy: -94.025284
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -17.096
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: 5, replica: 1
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -270.807333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.807333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.807333 (E_RNA)
where:
Base-Base interactions energy: -181.927
where: short stacking energy: -83.144
Base-Backbone interact. energy: -0.304
local terms energy: -88.576024
where:
bonds (distance) C4'-P energy: -20.229
bonds (distance) P-C4' energy: -21.219
flat angles C4'-P-C4' energy: -19.589
flat angles P-C4'-P energy: -9.536
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: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -252.848616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.848616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.848616 (E_RNA)
where:
Base-Base interactions energy: -158.832
where: short stacking energy: -73.828
Base-Backbone interact. energy: -0.956
local terms energy: -93.060521
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -21.324
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: 4
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -249.435921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.435921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.435921 (E_RNA)
where:
Base-Base interactions energy: -156.321
where: short stacking energy: -68.211
Base-Backbone interact. energy: -0.416
local terms energy: -92.699337
where:
bonds (distance) C4'-P energy: -19.024
bonds (distance) P-C4' energy: -20.098
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -22.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -115.793059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.793059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.793059 (E_RNA)
where:
Base-Base interactions energy: -52.185
where: short stacking energy: -43.312
Base-Backbone interact. energy: -0.428
local terms energy: -63.179363
where:
bonds (distance) C4'-P energy: -10.489
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -10.021
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: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -93.032794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.032794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.032794 (E_RNA)
where:
Base-Base interactions energy: -40.572
where: short stacking energy: -31.187
Base-Backbone interact. energy: -0.543
local terms energy: -51.917963
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: -1.966
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: 5
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -97.823770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.823770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.823770 (E_RNA)
where:
Base-Base interactions energy: -32.321
where: short stacking energy: -21.131
Base-Backbone interact. energy: 0.685
local terms energy: -66.187495
where:
bonds (distance) C4'-P energy: -18.312
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -5.539
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: 7
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -306.639054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.639054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.639054 (E_RNA)
where:
Base-Base interactions energy: -214.782
where: short stacking energy: -83.933
Base-Backbone interact. energy: -0.217
local terms energy: -91.639652
where:
bonds (distance) C4'-P energy: -17.292
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -22.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -293.924189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.924189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.924189 (E_RNA)
where:
Base-Base interactions energy: -191.834
where: short stacking energy: -98.519
Base-Backbone interact. energy: -1.017
local terms energy: -101.072850
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -29.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -275.533077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.533077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.533077 (E_RNA)
where:
Base-Base interactions energy: -180.155
where: short stacking energy: -81.859
Base-Backbone interact. energy: -0.298
local terms energy: -95.079918
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -17.705
tors. eta vs tors. theta energy: -24.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -288.111863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.111863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.111863 (E_RNA)
where:
Base-Base interactions energy: -191.840
where: short stacking energy: -89.149
Base-Backbone interact. energy: 1.904
local terms energy: -98.176158
where:
bonds (distance) C4'-P energy: -20.607
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -19.963
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -259.924704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.924704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.924704 (E_RNA)
where:
Base-Base interactions energy: -170.289
where: short stacking energy: -80.291
Base-Backbone interact. energy: -0.356
local terms energy: -89.280353
where:
bonds (distance) C4'-P energy: -21.138
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -23.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -248.498560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.498560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.498560 (E_RNA)
where:
Base-Base interactions energy: -168.615
where: short stacking energy: -83.489
Base-Backbone interact. energy: -0.186
local terms energy: -79.697440
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -20.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -271.055323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.055323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.055323 (E_RNA)
where:
Base-Base interactions energy: -174.877
where: short stacking energy: -74.221
Base-Backbone interact. energy: -0.140
local terms energy: -96.038777
where:
bonds (distance) C4'-P energy: -11.150
bonds (distance) P-C4' energy: -23.060
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -24.149
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: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -117.831727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.831727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.831727 (E_RNA)
where:
Base-Base interactions energy: -50.707
where: short stacking energy: -41.148
Base-Backbone interact. energy: -0.393
local terms energy: -66.731590
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: 0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -109.193528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.193528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.193528 (E_RNA)
where:
Base-Base interactions energy: -60.312
where: short stacking energy: -26.072
Base-Backbone interact. energy: -0.247
local terms energy: -48.634281
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: 4.819
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: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -85.938835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.938835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.938835 (E_RNA)
where:
Base-Base interactions energy: -26.840
where: short stacking energy: -25.191
Base-Backbone interact. energy: -0.299
local terms energy: -58.799666
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -6.803
tors. eta vs tors. theta energy: 2.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -305.394982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.394982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.394982 (E_RNA)
where:
Base-Base interactions energy: -211.061
where: short stacking energy: -88.210
Base-Backbone interact. energy: -0.156
local terms energy: -94.177542
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -22.133
flat angles P-C4'-P energy: -19.872
tors. eta vs tors. theta energy: -18.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -299.274054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.274054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.274054 (E_RNA)
where:
Base-Base interactions energy: -190.966
where: short stacking energy: -91.365
Base-Backbone interact. energy: -0.813
local terms energy: -107.494194
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -21.641
flat angles C4'-P-C4' energy: -21.997
flat angles P-C4'-P energy: -16.360
tors. eta vs tors. theta energy: -27.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -277.646479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.646479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.646479 (E_RNA)
where:
Base-Base interactions energy: -180.894
where: short stacking energy: -91.192
Base-Backbone interact. energy: -0.197
local terms energy: -96.556024
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -27.303
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: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -269.536557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.536557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.536557 (E_RNA)
where:
Base-Base interactions energy: -184.919
where: short stacking energy: -88.449
Base-Backbone interact. energy: -1.164
local terms energy: -83.453134
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -265.224900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.224900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.224900 (E_RNA)
where:
Base-Base interactions energy: -177.168
where: short stacking energy: -63.233
Base-Backbone interact. energy: -0.853
local terms energy: -87.203104
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -263.565966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.565966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.565966 (E_RNA)
where:
Base-Base interactions energy: -170.654
where: short stacking energy: -77.060
Base-Backbone interact. energy: 1.089
local terms energy: -94.001178
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -20.906
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -22.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -233.576185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.576185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.576185 (E_RNA)
where:
Base-Base interactions energy: -154.970
where: short stacking energy: -74.912
Base-Backbone interact. energy: -0.099
local terms energy: -78.506920
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -113.567190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.567190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.567190 (E_RNA)
where:
Base-Base interactions energy: -50.340
where: short stacking energy: -40.427
Base-Backbone interact. energy: -1.120
local terms energy: -62.107185
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -3.253
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: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -103.833004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.833004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.833004 (E_RNA)
where:
Base-Base interactions energy: -40.773
where: short stacking energy: -32.808
Base-Backbone interact. energy: -0.837
local terms energy: -62.222884
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -18.824
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: -0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -95.778461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.778461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.778461 (E_RNA)
where:
Base-Base interactions energy: -36.426
where: short stacking energy: -36.426
Base-Backbone interact. energy: -0.234
local terms energy: -59.118651
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -13.069
tors. eta vs tors. theta energy: 0.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -303.446418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.446418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.446418 (E_RNA)
where:
Base-Base interactions energy: -200.563
where: short stacking energy: -99.109
Base-Backbone interact. energy: -0.250
local terms energy: -102.633333
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -15.527
tors. eta vs tors. theta energy: -29.537
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: 98
Temperature: 0.950000
Total energy: -301.623873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.623873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.623873 (E_RNA)
where:
Base-Base interactions energy: -206.485
where: short stacking energy: -93.766
Base-Backbone interact. energy: -0.093
local terms energy: -95.046184
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -20.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -284.303553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.303553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.303553 (E_RNA)
where:
Base-Base interactions energy: -187.406
where: short stacking energy: -83.997
Base-Backbone interact. energy: 0.204
local terms energy: -97.101088
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -21.837
flat angles P-C4'-P energy: -14.426
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: 4, replica: 10
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -275.889148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.889148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.889148 (E_RNA)
where:
Base-Base interactions energy: -185.273
where: short stacking energy: -86.313
Base-Backbone interact. energy: -0.662
local terms energy: -89.953305
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -24.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -270.673066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.673066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.673066 (E_RNA)
where:
Base-Base interactions energy: -173.758
where: short stacking energy: -88.151
Base-Backbone interact. energy: -0.017
local terms energy: -96.898041
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -20.509
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: -25.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -259.692174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.692174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.692174 (E_RNA)
where:
Base-Base interactions energy: -177.586
where: short stacking energy: -82.689
Base-Backbone interact. energy: -0.030
local terms energy: -82.076306
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -16.668
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -20.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -244.174391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.174391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.174391 (E_RNA)
where:
Base-Base interactions energy: -158.802
where: short stacking energy: -74.017
Base-Backbone interact. energy: -0.135
local terms energy: -85.237656
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -10.449
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: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -119.202811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.202811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.202811 (E_RNA)
where:
Base-Base interactions energy: -53.262
where: short stacking energy: -32.484
Base-Backbone interact. energy: 0.104
local terms energy: -66.045187
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -105.624138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.624138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.624138 (E_RNA)
where:
Base-Base interactions energy: -43.496
where: short stacking energy: -19.336
Base-Backbone interact. energy: 0.792
local terms energy: -62.919380
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: 0.525
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: 5
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -96.428352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.428352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.428352 (E_RNA)
where:
Base-Base interactions energy: -31.391
where: short stacking energy: -27.612
Base-Backbone interact. energy: -1.091
local terms energy: -63.946172
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -22.512
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: 3.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -293.939806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.939806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.939806 (E_RNA)
where:
Base-Base interactions energy: -192.990
where: short stacking energy: -82.098
Base-Backbone interact. energy: -0.041
local terms energy: -100.909113
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -17.710
tors. eta vs tors. theta energy: -22.396
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: 8
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -301.473671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.473671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.473671 (E_RNA)
where:
Base-Base interactions energy: -198.297
where: short stacking energy: -89.347
Base-Backbone interact. energy: -0.075
local terms energy: -103.101300
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -28.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -292.933199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.933199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.933199 (E_RNA)
where:
Base-Base interactions energy: -204.874
where: short stacking energy: -87.098
Base-Backbone interact. energy: -0.560
local terms energy: -87.498996
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -19.625
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: 4
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -279.684362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.684362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.684362 (E_RNA)
where:
Base-Base interactions energy: -190.955
where: short stacking energy: -93.886
Base-Backbone interact. energy: -0.242
local terms energy: -88.487728
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -10.553
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: 10
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -284.398570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.398570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.398570 (E_RNA)
where:
Base-Base interactions energy: -206.077
where: short stacking energy: -92.750
Base-Backbone interact. energy: -0.145
local terms energy: -78.175999
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -24.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -262.946527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.946527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.946527 (E_RNA)
where:
Base-Base interactions energy: -171.270
where: short stacking energy: -70.579
Base-Backbone interact. energy: -0.040
local terms energy: -91.637018
where:
bonds (distance) C4'-P energy: -20.400
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -21.027
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -22.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -234.084744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.084744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.084744 (E_RNA)
where:
Base-Base interactions energy: -156.987
where: short stacking energy: -64.278
Base-Backbone interact. energy: 1.197
local terms energy: -78.294227
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -15.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -109.059156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.059156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.059156 (E_RNA)
where:
Base-Base interactions energy: -48.463
where: short stacking energy: -46.505
Base-Backbone interact. energy: -0.141
local terms energy: -60.455112
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: -9.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -104.116410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.116410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.116410 (E_RNA)
where:
Base-Base interactions energy: -37.221
where: short stacking energy: -37.129
Base-Backbone interact. energy: 1.049
local terms energy: -67.944627
where:
bonds (distance) C4'-P energy: -20.036
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -98.450053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.450053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.450053 (E_RNA)
where:
Base-Base interactions energy: -34.031
where: short stacking energy: -31.999
Base-Backbone interact. energy: 2.133
local terms energy: -66.552042
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -22.852
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -11.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -298.374884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.374884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.374884 (E_RNA)
where:
Base-Base interactions energy: -197.682
where: short stacking energy: -87.394
Base-Backbone interact. energy: -0.027
local terms energy: -100.665702
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -20.865
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -25.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -288.783706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.783706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.783706 (E_RNA)
where:
Base-Base interactions energy: -191.265
where: short stacking energy: -96.248
Base-Backbone interact. energy: -0.008
local terms energy: -97.510641
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -21.324
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -27.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -294.221757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.221757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.221757 (E_RNA)
where:
Base-Base interactions energy: -202.967
where: short stacking energy: -80.514
Base-Backbone interact. energy: -0.119
local terms energy: -91.135598
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -13.862
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: 4, replica: 4
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -284.576324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.576324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.576324 (E_RNA)
where:
Base-Base interactions energy: -189.140
where: short stacking energy: -97.851
Base-Backbone interact. energy: -0.045
local terms energy: -95.390840
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -27.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -293.779761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.779761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.779761 (E_RNA)
where:
Base-Base interactions energy: -196.302
where: short stacking energy: -91.551
Base-Backbone interact. energy: -0.108
local terms energy: -97.369740
where:
bonds (distance) C4'-P energy: -19.552
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -20.416
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -25.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -276.990763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.990763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.990763 (E_RNA)
where:
Base-Base interactions energy: -200.045
where: short stacking energy: -84.810
Base-Backbone interact. energy: -0.082
local terms energy: -76.863246
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -16.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -228.982421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.982421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.982421 (E_RNA)
where:
Base-Base interactions energy: -140.345
where: short stacking energy: -73.421
Base-Backbone interact. energy: -0.548
local terms energy: -88.089232
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -20.881
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -20.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -112.249836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.249836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.249836 (E_RNA)
where:
Base-Base interactions energy: -47.852
where: short stacking energy: -29.038
Base-Backbone interact. energy: -0.730
local terms energy: -63.668048
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -19.810
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -96.005646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.005646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.005646 (E_RNA)
where:
Base-Base interactions energy: -38.480
where: short stacking energy: -35.460
Base-Backbone interact. energy: -0.254
local terms energy: -57.271733
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -10.883
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -2.236
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: 100
Temperature: 1.350000
Total energy: -92.506178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.506178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.506178 (E_RNA)
where:
Base-Base interactions energy: -27.900
where: short stacking energy: -26.507
Base-Backbone interact. energy: -0.601
local terms energy: -64.005898
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -0.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -292.384477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.384477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.384477 (E_RNA)
where:
Base-Base interactions energy: -195.750
where: short stacking energy: -96.142
Base-Backbone interact. energy: -0.486
local terms energy: -96.148790
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -16.878
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -29.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -299.505407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.505407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.505407 (E_RNA)
where:
Base-Base interactions energy: -205.857
where: short stacking energy: -85.061
Base-Backbone interact. energy: -0.318
local terms energy: -93.330090
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -22.036
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -288.082752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.082752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.082752 (E_RNA)
where:
Base-Base interactions energy: -187.585
where: short stacking energy: -92.069
Base-Backbone interact. energy: -0.036
local terms energy: -100.461547
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -16.490
tors. eta vs tors. theta energy: -26.744
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: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -289.803142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.803142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.803142 (E_RNA)
where:
Base-Base interactions energy: -193.706
where: short stacking energy: -85.245
Base-Backbone interact. energy: -0.137
local terms energy: -95.959573
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -27.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -268.142012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.142012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.142012 (E_RNA)
where:
Base-Base interactions energy: -180.684
where: short stacking energy: -92.253
Base-Backbone interact. energy: -0.011
local terms energy: -87.447712
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -25.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -272.730154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.730154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.730154 (E_RNA)
where:
Base-Base interactions energy: -186.945
where: short stacking energy: -79.340
Base-Backbone interact. energy: -0.003
local terms energy: -85.782356
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -24.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -215.701298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.701298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.701298 (E_RNA)
where:
Base-Base interactions energy: -143.721
where: short stacking energy: -61.650
Base-Backbone interact. energy: -1.195
local terms energy: -70.785834
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -11.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -109.565689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.565689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.565689 (E_RNA)
where:
Base-Base interactions energy: -38.271
where: short stacking energy: -33.893
Base-Backbone interact. energy: -1.069
local terms energy: -70.225312
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -8.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -153.007033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.007033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.007033 (E_RNA)
where:
Base-Base interactions energy: -86.214
where: short stacking energy: -49.170
Base-Backbone interact. energy: -0.120
local terms energy: -66.673590
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -0.657
tors. eta vs tors. theta energy: -9.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -93.813102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.813102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.813102 (E_RNA)
where:
Base-Base interactions energy: -39.310
where: short stacking energy: -35.418
Base-Backbone interact. energy: 0.368
local terms energy: -54.870221
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -11.230
flat angles P-C4'-P energy: -11.270
tors. eta vs tors. theta energy: 0.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -309.317891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.317891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.317891 (E_RNA)
where:
Base-Base interactions energy: -207.012
where: short stacking energy: -86.857
Base-Backbone interact. energy: -0.186
local terms energy: -102.119036
where:
bonds (distance) C4'-P energy: -21.376
bonds (distance) P-C4' energy: -23.992
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -22.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -296.000537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.000537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.000537 (E_RNA)
where:
Base-Base interactions energy: -197.946
where: short stacking energy: -88.712
Base-Backbone interact. energy: -0.001
local terms energy: -98.053281
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -19.000
flat angles C4'-P-C4' energy: -22.650
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -26.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -289.112700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.112700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.112700 (E_RNA)
where:
Base-Base interactions energy: -198.412
where: short stacking energy: -96.444
Base-Backbone interact. energy: -0.002
local terms energy: -90.698933
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -25.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -282.135604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.135604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.135604 (E_RNA)
where:
Base-Base interactions energy: -182.194
where: short stacking energy: -89.744
Base-Backbone interact. energy: -0.578
local terms energy: -99.363825
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: -27.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -272.013780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.013780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.013780 (E_RNA)
where:
Base-Base interactions energy: -176.807
where: short stacking energy: -88.186
Base-Backbone interact. energy: -0.011
local terms energy: -95.195454
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -14.786
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: 6, replica: 1
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -281.223607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.223607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.223607 (E_RNA)
where:
Base-Base interactions energy: -195.867
where: short stacking energy: -92.092
Base-Backbone interact. energy: -0.020
local terms energy: -85.336826
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -229.660836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.660836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.660836 (E_RNA)
where:
Base-Base interactions energy: -147.419
where: short stacking energy: -61.924
Base-Backbone interact. energy: 0.385
local terms energy: -82.627456
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -22.648
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: 8, replica: 5
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -102.843857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.843857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.843857 (E_RNA)
where:
Base-Base interactions energy: -36.404
where: short stacking energy: -36.404
Base-Backbone interact. energy: -0.094
local terms energy: -66.346498
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -127.919182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.919182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.919182 (E_RNA)
where:
Base-Base interactions energy: -60.566
where: short stacking energy: -28.973
Base-Backbone interact. energy: -0.173
local terms energy: -67.179812
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -1.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -84.582665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.582665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.582665 (E_RNA)
where:
Base-Base interactions energy: -29.647
where: short stacking energy: -29.647
Base-Backbone interact. energy: -0.018
local terms energy: -54.917980
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -2.162
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -316.018904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.018904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.018904 (E_RNA)
where:
Base-Base interactions energy: -219.450
where: short stacking energy: -81.871
Base-Backbone interact. energy: -0.284
local terms energy: -96.285324
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -22.710
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -16.811
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: 2, replica: 2
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -302.512291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.512291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.512291 (E_RNA)
where:
Base-Base interactions energy: -196.801
where: short stacking energy: -92.982
Base-Backbone interact. energy: -0.512
local terms energy: -105.199667
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -27.606
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: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -306.769529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.769529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.769529 (E_RNA)
where:
Base-Base interactions energy: -205.275
where: short stacking energy: -96.315
Base-Backbone interact. energy: -0.023
local terms energy: -101.471057
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -20.509
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -27.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -284.208379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.208379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.208379 (E_RNA)
where:
Base-Base interactions energy: -189.891
where: short stacking energy: -87.151
Base-Backbone interact. energy: -0.161
local terms energy: -94.156442
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -16.581
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: 5, replica: 10
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -272.898552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.898552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.898552 (E_RNA)
where:
Base-Base interactions energy: -189.425
where: short stacking energy: -82.151
Base-Backbone interact. energy: -0.267
local terms energy: -83.207213
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -23.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -259.924227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.924227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.924227 (E_RNA)
where:
Base-Base interactions energy: -172.923
where: short stacking energy: -71.079
Base-Backbone interact. energy: -0.127
local terms energy: -86.874183
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -19.378
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -14.045
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: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -200.820373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.820373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.820373 (E_RNA)
where:
Base-Base interactions energy: -126.960
where: short stacking energy: -63.820
Base-Backbone interact. energy: 1.583
local terms energy: -75.442997
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -6.936
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: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -106.111040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.111040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.111040 (E_RNA)
where:
Base-Base interactions energy: -38.827
where: short stacking energy: -36.654
Base-Backbone interact. energy: -0.474
local terms energy: -66.809346
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -10.480
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: 9, replica: 5
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -104.118723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.118723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.118723 (E_RNA)
where:
Base-Base interactions energy: -40.006
where: short stacking energy: -39.969
Base-Backbone interact. energy: -0.229
local terms energy: -63.883460
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: -0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -97.194001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.194001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.194001 (E_RNA)
where:
Base-Base interactions energy: -45.479
where: short stacking energy: -33.090
Base-Backbone interact. energy: 0.524
local terms energy: -52.239785
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -9.187
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -312.564407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.564407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.564407 (E_RNA)
where:
Base-Base interactions energy: -225.412
where: short stacking energy: -95.104
Base-Backbone interact. energy: -0.123
local terms energy: -87.029205
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -16.911
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: 2, replica: 2
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -293.527699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.527699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.527699 (E_RNA)
where:
Base-Base interactions energy: -197.178
where: short stacking energy: -89.269
Base-Backbone interact. energy: -0.284
local terms energy: -96.065385
where:
bonds (distance) C4'-P energy: -18.809
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -27.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -285.258017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.258017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.258017 (E_RNA)
where:
Base-Base interactions energy: -191.577
where: short stacking energy: -78.305
Base-Backbone interact. energy: -0.682
local terms energy: -92.999147
where:
bonds (distance) C4'-P energy: -21.846
bonds (distance) P-C4' energy: -20.787
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -20.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -277.167278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.167278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.167278 (E_RNA)
where:
Base-Base interactions energy: -188.002
where: short stacking energy: -85.059
Base-Backbone interact. energy: -0.226
local terms energy: -88.938663
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -284.901612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.901612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.901612 (E_RNA)
where:
Base-Base interactions energy: -193.947
where: short stacking energy: -87.029
Base-Backbone interact. energy: 1.874
local terms energy: -92.827700
where:
bonds (distance) C4'-P energy: -20.197
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -11.752
tors. eta vs tors. theta energy: -23.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -267.175957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.175957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.175957 (E_RNA)
where:
Base-Base interactions energy: -183.096
where: short stacking energy: -77.218
Base-Backbone interact. energy: 0.568
local terms energy: -84.647170
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -14.538
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: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -184.052780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.052780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.052780 (E_RNA)
where:
Base-Base interactions energy: -112.485
where: short stacking energy: -49.802
Base-Backbone interact. energy: -0.177
local terms energy: -71.390772
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -8.934
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: 9
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -104.503253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.503253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.503253 (E_RNA)
where:
Base-Base interactions energy: -42.965
where: short stacking energy: -29.564
Base-Backbone interact. energy: 1.604
local terms energy: -63.142118
where:
bonds (distance) C4'-P energy: -20.400
bonds (distance) P-C4' energy: -19.433
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -6.268
tors. eta vs tors. theta energy: -0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -102.832249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.832249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.832249 (E_RNA)
where:
Base-Base interactions energy: -31.773
where: short stacking energy: -25.944
Base-Backbone interact. energy: 1.307
local terms energy: -72.366279
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -12.972
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: 10, replica: 5
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -100.720787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.720787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.720787 (E_RNA)
where:
Base-Base interactions energy: -38.868
where: short stacking energy: -34.078
Base-Backbone interact. energy: -0.121
local terms energy: -61.731909
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -8.488
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: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -315.605407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.605407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.605407 (E_RNA)
where:
Base-Base interactions energy: -220.473
where: short stacking energy: -91.935
Base-Backbone interact. energy: 0.540
local terms energy: -95.672242
where:
bonds (distance) C4'-P energy: -21.368
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -290.107083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.107083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.107083 (E_RNA)
where:
Base-Base interactions energy: -201.804
where: short stacking energy: -81.604
Base-Backbone interact. energy: -0.181
local terms energy: -88.121494
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -22.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -295.284442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.284442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.284442 (E_RNA)
where:
Base-Base interactions energy: -197.910
where: short stacking energy: -92.924
Base-Backbone interact. energy: -0.085
local terms energy: -97.289447
where:
bonds (distance) C4'-P energy: -20.019
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -27.557
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: 105
Temperature: 1.050000
Total energy: -279.901208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.901208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.901208 (E_RNA)
where:
Base-Base interactions energy: -186.790
where: short stacking energy: -87.980
Base-Backbone interact. energy: -0.076
local terms energy: -93.034894
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -24.558
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: 8
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -285.139661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.139661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.139661 (E_RNA)
where:
Base-Base interactions energy: -197.631
where: short stacking energy: -88.410
Base-Backbone interact. energy: 0.786
local terms energy: -88.294327
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -25.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -267.320218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.320218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.320218 (E_RNA)
where:
Base-Base interactions energy: -181.898
where: short stacking energy: -85.637
Base-Backbone interact. energy: 1.131
local terms energy: -86.552781
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -16.317
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -22.691
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: 3
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -208.675942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.675942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.675942 (E_RNA)
where:
Base-Base interactions energy: -124.559
where: short stacking energy: -69.548
Base-Backbone interact. energy: -0.630
local terms energy: -83.486486
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -21.133
flat angles P-C4'-P energy: -7.066
tors. eta vs tors. theta energy: -20.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -106.961331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.961331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.961331 (E_RNA)
where:
Base-Base interactions energy: -39.686
where: short stacking energy: -27.613
Base-Backbone interact. energy: -0.652
local terms energy: -66.623577
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -101.168222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.168222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.168222 (E_RNA)
where:
Base-Base interactions energy: -35.173
where: short stacking energy: -35.173
Base-Backbone interact. energy: -0.160
local terms energy: -65.834780
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -100.172177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.172177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.172177 (E_RNA)
where:
Base-Base interactions energy: -32.257
where: short stacking energy: -32.257
Base-Backbone interact. energy: -0.343
local terms energy: -67.572494
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -315.649857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.649857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.649857 (E_RNA)
where:
Base-Base interactions energy: -216.793
where: short stacking energy: -86.208
Base-Backbone interact. energy: -2.071
local terms energy: -96.785596
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -22.888
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -20.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -293.702427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.702427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.702427 (E_RNA)
where:
Base-Base interactions energy: -199.126
where: short stacking energy: -88.101
Base-Backbone interact. energy: -0.423
local terms energy: -94.153568
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -18.794
flat angles C4'-P-C4' energy: -21.537
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -25.251
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: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -299.718360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.718360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.718360 (E_RNA)
where:
Base-Base interactions energy: -204.411
where: short stacking energy: -92.868
Base-Backbone interact. energy: -0.009
local terms energy: -95.297677
where:
bonds (distance) C4'-P energy: -20.503
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -28.320
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: 1
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -281.274716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.274716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.274716 (E_RNA)
where:
Base-Base interactions energy: -186.068
where: short stacking energy: -94.724
Base-Backbone interact. energy: -0.003
local terms energy: -95.203879
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -25.805
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: 8
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -263.653624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.653624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.653624 (E_RNA)
where:
Base-Base interactions energy: -175.566
where: short stacking energy: -82.573
Base-Backbone interact. energy: -0.290
local terms energy: -87.797339
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -22.458
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -21.322
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: 10
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -251.608560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.608560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.608560 (E_RNA)
where:
Base-Base interactions energy: -164.349
where: short stacking energy: -78.354
Base-Backbone interact. energy: -0.771
local terms energy: -86.488496
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -13.149
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: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -179.819900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.819900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.819900 (E_RNA)
where:
Base-Base interactions energy: -113.660
where: short stacking energy: -53.880
Base-Backbone interact. energy: 0.150
local terms energy: -66.309648
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -7.974
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: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -110.136087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.136087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.136087 (E_RNA)
where:
Base-Base interactions energy: -39.976
where: short stacking energy: -38.353
Base-Backbone interact. energy: -0.065
local terms energy: -70.095344
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -98.544246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.544246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.544246 (E_RNA)
where:
Base-Base interactions energy: -39.351
where: short stacking energy: -39.351
Base-Backbone interact. energy: 1.605
local terms energy: -60.798137
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: 0.248
tors. eta vs tors. theta energy: -3.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -116.047510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.047510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.047510 (E_RNA)
where:
Base-Base interactions energy: -58.810
where: short stacking energy: -29.805
Base-Backbone interact. energy: -0.271
local terms energy: -56.966227
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -3.731
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -8.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -310.701945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.701945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.701945 (E_RNA)
where:
Base-Base interactions energy: -213.147
where: short stacking energy: -86.363
Base-Backbone interact. energy: -0.547
local terms energy: -97.007981
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -22.824
flat angles C4'-P-C4' energy: -18.760
flat angles P-C4'-P energy: -14.190
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: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -303.184809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.184809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.184809 (E_RNA)
where:
Base-Base interactions energy: -200.957
where: short stacking energy: -97.206
Base-Backbone interact. energy: -0.002
local terms energy: -102.226436
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -23.069
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -25.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -292.804649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.804649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.804649 (E_RNA)
where:
Base-Base interactions energy: -196.965
where: short stacking energy: -81.187
Base-Backbone interact. energy: -0.295
local terms energy: -95.544936
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -20.163
flat angles C4'-P-C4' energy: -23.008
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -21.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -285.154802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.154802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.154802 (E_RNA)
where:
Base-Base interactions energy: -187.585
where: short stacking energy: -84.937
Base-Backbone interact. energy: -1.195
local terms energy: -96.374511
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -15.054
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: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -260.027063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.027063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.027063 (E_RNA)
where:
Base-Base interactions energy: -172.416
where: short stacking energy: -83.344
Base-Backbone interact. energy: -0.043
local terms energy: -87.568293
where:
bonds (distance) C4'-P energy: -17.473
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: -21.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -249.575030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.575030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.575030 (E_RNA)
where:
Base-Base interactions energy: -165.705
where: short stacking energy: -84.049
Base-Backbone interact. energy: -0.103
local terms energy: -83.767115
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -19.445
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -22.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -195.071377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.071377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.071377 (E_RNA)
where:
Base-Base interactions energy: -122.141
where: short stacking energy: -54.374
Base-Backbone interact. energy: -0.382
local terms energy: -72.548347
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -13.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -129.466258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.466258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.466258 (E_RNA)
where:
Base-Base interactions energy: -61.219
where: short stacking energy: -39.797
Base-Backbone interact. energy: -0.850
local terms energy: -67.396958
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -17.327
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -14.825
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -101.485491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.485491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.485491 (E_RNA)
where:
Base-Base interactions energy: -40.884
where: short stacking energy: -36.285
Base-Backbone interact. energy: -0.823
local terms energy: -59.778654
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -121.353549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.353549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.353549 (E_RNA)
where:
Base-Base interactions energy: -58.942
where: short stacking energy: -30.938
Base-Backbone interact. energy: -0.372
local terms energy: -62.038691
where:
bonds (distance) C4'-P energy: -12.268
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -0.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -306.327097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.327097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.327097 (E_RNA)
where:
Base-Base interactions energy: -210.989
where: short stacking energy: -95.813
Base-Backbone interact. energy: -0.004
local terms energy: -95.334564
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -22.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -307.121655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.121655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.121655 (E_RNA)
where:
Base-Base interactions energy: -218.460
where: short stacking energy: -83.200
Base-Backbone interact. energy: -0.544
local terms energy: -88.117647
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -20.060
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: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -278.045170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.045170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.045170 (E_RNA)
where:
Base-Base interactions energy: -196.318
where: short stacking energy: -80.830
Base-Backbone interact. energy: -0.315
local terms energy: -81.412134
where:
bonds (distance) C4'-P energy: -12.195
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -16.499
tors. eta vs tors. theta energy: -19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -278.044775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.044775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.044775 (E_RNA)
where:
Base-Base interactions energy: -190.444
where: short stacking energy: -74.386
Base-Backbone interact. energy: -0.331
local terms energy: -87.269090
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -20.456
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -20.098
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: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -265.398716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.398716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.398716 (E_RNA)
where:
Base-Base interactions energy: -183.485
where: short stacking energy: -82.658
Base-Backbone interact. energy: -0.363
local terms energy: -81.551250
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -19.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -266.435776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.435776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.435776 (E_RNA)
where:
Base-Base interactions energy: -184.398
where: short stacking energy: -82.688
Base-Backbone interact. energy: -0.120
local terms energy: -81.917193
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -20.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -108.563931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.563931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.563931 (E_RNA)
where:
Base-Base interactions energy: -39.028
where: short stacking energy: -39.028
Base-Backbone interact. energy: -0.033
local terms energy: -69.502856
where:
bonds (distance) C4'-P energy: -12.533
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -10.681
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: 3
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -182.449065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.449065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.449065 (E_RNA)
where:
Base-Base interactions energy: -110.063
where: short stacking energy: -52.183
Base-Backbone interact. energy: -1.151
local terms energy: -71.234887
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -88.723858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.723858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.723858 (E_RNA)
where:
Base-Base interactions energy: -28.353
where: short stacking energy: -28.353
Base-Backbone interact. energy: -0.089
local terms energy: -60.282004
where:
bonds (distance) C4'-P energy: -19.140
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -10.796
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: 5
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -97.476007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.476007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.476007 (E_RNA)
where:
Base-Base interactions energy: -33.868
where: short stacking energy: -32.098
Base-Backbone interact. energy: -0.543
local terms energy: -63.064624
where:
bonds (distance) C4'-P energy: -13.710
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: 0.919
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: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -306.412652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.412652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.412652 (E_RNA)
where:
Base-Base interactions energy: -206.334
where: short stacking energy: -90.853
Base-Backbone interact. energy: -0.026
local terms energy: -100.052825
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -18.181
tors. eta vs tors. theta energy: -25.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -301.031109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.031109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.031109 (E_RNA)
where:
Base-Base interactions energy: -210.182
where: short stacking energy: -85.277
Base-Backbone interact. energy: -2.444
local terms energy: -88.405017
where:
bonds (distance) C4'-P energy: -18.768
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -13.915
tors. eta vs tors. theta energy: -21.065
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: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -286.463405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.463405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.463405 (E_RNA)
where:
Base-Base interactions energy: -198.781
where: short stacking energy: -85.833
Base-Backbone interact. energy: -0.278
local terms energy: -87.404756
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: -18.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -282.008718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.008718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.008718 (E_RNA)
where:
Base-Base interactions energy: -178.094
where: short stacking energy: -91.005
Base-Backbone interact. energy: -0.241
local terms energy: -103.674236
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -24.156
flat angles P-C4'-P energy: -15.230
tors. eta vs tors. theta energy: -25.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -274.711495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.711495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.711495 (E_RNA)
where:
Base-Base interactions energy: -182.840
where: short stacking energy: -86.248
Base-Backbone interact. energy: -0.054
local terms energy: -91.817336
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -27.342
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: 10
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -257.087789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.087789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.087789 (E_RNA)
where:
Base-Base interactions energy: -173.835
where: short stacking energy: -82.428
Base-Backbone interact. energy: -0.714
local terms energy: -82.538781
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -22.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -116.677288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.677288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.677288 (E_RNA)
where:
Base-Base interactions energy: -51.013
where: short stacking energy: -51.013
Base-Backbone interact. energy: -0.838
local terms energy: -64.825741
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -4.134
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: 8, replica: 3
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -148.856513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.856513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.856513 (E_RNA)
where:
Base-Base interactions energy: -94.402
where: short stacking energy: -50.652
Base-Backbone interact. energy: -0.466
local terms energy: -53.989295
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -1.101
tors. eta vs tors. theta energy: -3.212
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: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -103.139245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.139245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.139245 (E_RNA)
where:
Base-Base interactions energy: -44.638
where: short stacking energy: -43.015
Base-Backbone interact. energy: -1.287
local terms energy: -57.214522
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -13.706
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -6.001
tors. eta vs tors. theta energy: -5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -87.997455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.997455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.997455 (E_RNA)
where:
Base-Base interactions energy: -30.685
where: short stacking energy: -30.685
Base-Backbone interact. energy: -0.256
local terms energy: -57.056680
where:
bonds (distance) C4'-P energy: -20.913
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -13.333
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: 2.305
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: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -307.341989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.341989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.341989 (E_RNA)
where:
Base-Base interactions energy: -215.954
where: short stacking energy: -89.054
Base-Backbone interact. energy: -0.656
local terms energy: -90.731836
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -20.230
flat angles P-C4'-P energy: -16.303
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -284.830517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.830517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.830517 (E_RNA)
where:
Base-Base interactions energy: -186.432
where: short stacking energy: -89.135
Base-Backbone interact. energy: -0.001
local terms energy: -98.397471
where:
bonds (distance) C4'-P energy: -19.642
bonds (distance) P-C4' energy: -19.040
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -14.819
tors. eta vs tors. theta energy: -24.878
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: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -279.261125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.261125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.261125 (E_RNA)
where:
Base-Base interactions energy: -194.950
where: short stacking energy: -92.412
Base-Backbone interact. energy: 0.442
local terms energy: -84.752748
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -25.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -272.243048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.243048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.243048 (E_RNA)
where:
Base-Base interactions energy: -183.815
where: short stacking energy: -72.096
Base-Backbone interact. energy: -0.239
local terms energy: -88.188957
where:
bonds (distance) C4'-P energy: -16.922
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -15.464
tors. eta vs tors. theta energy: -19.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -276.189652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.189652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.189652 (E_RNA)
where:
Base-Base interactions energy: -182.610
where: short stacking energy: -83.915
Base-Backbone interact. energy: -0.039
local terms energy: -93.540647
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -21.021
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -22.325
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: 110
Temperature: 1.150000
Total energy: -253.879682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.879682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.879682 (E_RNA)
where:
Base-Base interactions energy: -164.593
where: short stacking energy: -74.085
Base-Backbone interact. energy: -0.233
local terms energy: -89.054488
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -21.675
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -17.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -130.239674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.239674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.239674 (E_RNA)
where:
Base-Base interactions energy: -56.819
where: short stacking energy: -50.920
Base-Backbone interact. energy: -0.062
local terms energy: -73.358018
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -13.950
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -103.324777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.324777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.324777 (E_RNA)
where:
Base-Base interactions energy: -47.616
where: short stacking energy: -47.616
Base-Backbone interact. energy: -0.146
local terms energy: -55.562356
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -12.613
flat angles P-C4'-P energy: -4.026
tors. eta vs tors. theta energy: -10.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -94.828826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.828826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.828826 (E_RNA)
where:
Base-Base interactions energy: -35.377
where: short stacking energy: -35.377
Base-Backbone interact. energy: -0.068
local terms energy: -59.383528
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -5.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -86.558291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.558291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.558291 (E_RNA)
where:
Base-Base interactions energy: -38.451
where: short stacking energy: -31.097
Base-Backbone interact. energy: -0.208
local terms energy: -47.898917
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -14.954
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: 1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -309.341235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.341235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.341235 (E_RNA)
where:
Base-Base interactions energy: -207.948
where: short stacking energy: -82.430
Base-Backbone interact. energy: -1.849
local terms energy: -99.544495
where:
bonds (distance) C4'-P energy: -19.617
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -23.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -307.977199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.977199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.977199 (E_RNA)
where:
Base-Base interactions energy: -213.381
where: short stacking energy: -91.488
Base-Backbone interact. energy: -0.098
local terms energy: -94.497441
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -19.793
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -23.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -283.438424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.438424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.438424 (E_RNA)
where:
Base-Base interactions energy: -197.913
where: short stacking energy: -79.729
Base-Backbone interact. energy: -0.684
local terms energy: -84.841363
where:
bonds (distance) C4'-P energy: -20.168
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -14.245
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -21.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -271.763647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.763647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.763647 (E_RNA)
where:
Base-Base interactions energy: -190.712
where: short stacking energy: -85.552
Base-Backbone interact. energy: -0.028
local terms energy: -81.023354
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -23.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -266.083430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.083430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.083430 (E_RNA)
where:
Base-Base interactions energy: -176.545
where: short stacking energy: -92.319
Base-Backbone interact. energy: -0.022
local terms energy: -89.517031
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -12.865
tors. eta vs tors. theta energy: -26.424
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: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -256.102744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.102744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.102744 (E_RNA)
where:
Base-Base interactions energy: -177.353
where: short stacking energy: -81.130
Base-Backbone interact. energy: -0.171
local terms energy: -78.578653
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -12.539
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: 111
Temperature: 1.200000
Total energy: -120.277377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.277377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.277377 (E_RNA)
where:
Base-Base interactions energy: -56.473
where: short stacking energy: -31.573
Base-Backbone interact. energy: -0.576
local terms energy: -63.228631
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -18.540
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -9.656
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: 8, replica: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -106.532805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.532805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.532805 (E_RNA)
where:
Base-Base interactions energy: -36.311
where: short stacking energy: -36.311
Base-Backbone interact. energy: -0.465
local terms energy: -69.757144
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -2.927
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: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -90.715331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.715331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.715331 (E_RNA)
where:
Base-Base interactions energy: -38.418
where: short stacking energy: -38.369
Base-Backbone interact. energy: -0.050
local terms energy: -52.248021
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -6.584
tors. eta vs tors. theta energy: -5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -92.581328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.581328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.581328 (E_RNA)
where:
Base-Base interactions energy: -31.104
where: short stacking energy: -28.535
Base-Backbone interact. energy: -0.135
local terms energy: -61.342487
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -20.179
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -307.254766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.254766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.254766 (E_RNA)
where:
Base-Base interactions energy: -211.474
where: short stacking energy: -88.796
Base-Backbone interact. energy: -0.207
local terms energy: -95.573626
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -21.153
flat angles P-C4'-P energy: -16.415
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -295.579369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.579369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.579369 (E_RNA)
where:
Base-Base interactions energy: -197.513
where: short stacking energy: -85.680
Base-Backbone interact. energy: -0.090
local terms energy: -97.976368
where:
bonds (distance) C4'-P energy: -20.040
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -20.665
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: -22.432
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: 4
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -284.123844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.123844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.123844 (E_RNA)
where:
Base-Base interactions energy: -192.442
where: short stacking energy: -87.184
Base-Backbone interact. energy: -0.098
local terms energy: -91.584152
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -25.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -273.521881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.521881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.521881 (E_RNA)
where:
Base-Base interactions energy: -181.359
where: short stacking energy: -92.491
Base-Backbone interact. energy: -0.004
local terms energy: -92.158979
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -24.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -275.662501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.662501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.662501 (E_RNA)
where:
Base-Base interactions energy: -185.571
where: short stacking energy: -85.163
Base-Backbone interact. energy: -0.140
local terms energy: -89.951512
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -20.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -254.591874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.591874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.591874 (E_RNA)
where:
Base-Base interactions energy: -169.295
where: short stacking energy: -70.340
Base-Backbone interact. energy: -0.739
local terms energy: -84.557016
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -19.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -120.235251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.235251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.235251 (E_RNA)
where:
Base-Base interactions energy: -49.388
where: short stacking energy: -45.251
Base-Backbone interact. energy: -0.603
local terms energy: -70.243759
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -13.518
tors. eta vs tors. theta energy: -12.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -116.357787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.357787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.357787 (E_RNA)
where:
Base-Base interactions energy: -43.577
where: short stacking energy: -43.577
Base-Backbone interact. energy: -0.019
local terms energy: -72.762039
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -18.167
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -9.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -116.098104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.098104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.098104 (E_RNA)
where:
Base-Base interactions energy: -44.073
where: short stacking energy: -42.901
Base-Backbone interact. energy: -0.366
local terms energy: -71.659331
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -18.242
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -13.198
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: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -84.939462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.939462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.939462 (E_RNA)
where:
Base-Base interactions energy: -29.110
where: short stacking energy: -29.110
Base-Backbone interact. energy: -0.532
local terms energy: -55.297987
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -5.256
tors. eta vs tors. theta energy: -3.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -310.212242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.212242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.212242 (E_RNA)
where:
Base-Base interactions energy: -217.351
where: short stacking energy: -87.546
Base-Backbone interact. energy: -0.484
local terms energy: -92.377868
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -13.995
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: 2, replica: 2
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -306.609795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.609795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.609795 (E_RNA)
where:
Base-Base interactions energy: -214.878
where: short stacking energy: -101.843
Base-Backbone interact. energy: -0.087
local terms energy: -91.645128
where:
bonds (distance) C4'-P energy: -20.854
bonds (distance) P-C4' energy: -11.379
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -26.562
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: 4
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -272.184540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.184540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.184540 (E_RNA)
where:
Base-Base interactions energy: -184.381
where: short stacking energy: -92.350
Base-Backbone interact. energy: -0.193
local terms energy: -87.610748
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -13.326
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -13.194
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: 4, replica: 8
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -267.764837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.764837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.764837 (E_RNA)
where:
Base-Base interactions energy: -176.078
where: short stacking energy: -73.527
Base-Backbone interact. energy: -0.291
local terms energy: -91.395630
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -13.893
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: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -279.093938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.093938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.093938 (E_RNA)
where:
Base-Base interactions energy: -180.689
where: short stacking energy: -79.807
Base-Backbone interact. energy: -0.047
local terms energy: -98.358377
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -16.155
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: 6, replica: 10
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -256.422966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.422966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.422966 (E_RNA)
where:
Base-Base interactions energy: -183.476
where: short stacking energy: -76.387
Base-Backbone interact. energy: 0.809
local terms energy: -73.755758
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -6.828
tors. eta vs tors. theta energy: -19.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -111.574625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.574625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.574625 (E_RNA)
where:
Base-Base interactions energy: -54.000
where: short stacking energy: -27.597
Base-Backbone interact. energy: -0.349
local terms energy: -57.225651
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -8.060
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -2.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -108.908127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.908127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.908127 (E_RNA)
where:
Base-Base interactions energy: -40.181
where: short stacking energy: -40.181
Base-Backbone interact. energy: -0.035
local terms energy: -68.691860
where:
bonds (distance) C4'-P energy: -18.032
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -5.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -91.894335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.894335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.894335 (E_RNA)
where:
Base-Base interactions energy: -40.575
where: short stacking energy: -29.186
Base-Backbone interact. energy: -0.906
local terms energy: -50.413887
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -17.508
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: 2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -87.853335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.853335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.853335 (E_RNA)
where:
Base-Base interactions energy: -37.157
where: short stacking energy: -32.009
Base-Backbone interact. energy: 0.275
local terms energy: -50.971603
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -7.867
tors. eta vs tors. theta energy: -5.686
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: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -306.278135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.278135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.278135 (E_RNA)
where:
Base-Base interactions energy: -213.788
where: short stacking energy: -91.003
Base-Backbone interact. energy: -0.637
local terms energy: -91.853649
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -21.403
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: 2
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -300.290227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.290227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.290227 (E_RNA)
where:
Base-Base interactions energy: -200.222
where: short stacking energy: -81.001
Base-Backbone interact. energy: -2.303
local terms energy: -97.765171
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -25.657
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: 3, replica: 8
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -280.299239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.299239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.299239 (E_RNA)
where:
Base-Base interactions energy: -191.115
where: short stacking energy: -83.198
Base-Backbone interact. energy: -0.615
local terms energy: -88.568892
where:
bonds (distance) C4'-P energy: -20.681
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -20.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -276.425248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.425248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.425248 (E_RNA)
where:
Base-Base interactions energy: -178.760
where: short stacking energy: -86.901
Base-Backbone interact. energy: -0.106
local terms energy: -97.559068
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -25.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -280.440044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.440044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.440044 (E_RNA)
where:
Base-Base interactions energy: -193.196
where: short stacking energy: -80.029
Base-Backbone interact. energy: -0.062
local terms energy: -87.182125
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -20.873
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -7.232
tors. eta vs tors. theta energy: -23.341
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: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -266.378740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.378740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.378740 (E_RNA)
where:
Base-Base interactions energy: -179.515
where: short stacking energy: -74.777
Base-Backbone interact. energy: -0.270
local terms energy: -86.593474
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -13.733
flat angles C4'-P-C4' energy: -21.820
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -20.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -109.081021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.081021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.081021 (E_RNA)
where:
Base-Base interactions energy: -45.374
where: short stacking energy: -28.272
Base-Backbone interact. energy: -0.525
local terms energy: -63.182846
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -8.360
tors. eta vs tors. theta energy: -3.044
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: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -129.896656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.896656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.896656 (E_RNA)
where:
Base-Base interactions energy: -62.026
where: short stacking energy: -33.821
Base-Backbone interact. energy: -0.286
local terms energy: -67.584455
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -6.852
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: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -97.616134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.616134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.616134 (E_RNA)
where:
Base-Base interactions energy: -38.643
where: short stacking energy: -34.943
Base-Backbone interact. energy: -0.048
local terms energy: -58.924624
where:
bonds (distance) C4'-P energy: -10.441
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -3.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -107.296329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.296329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.296329 (E_RNA)
where:
Base-Base interactions energy: -49.402
where: short stacking energy: -34.434
Base-Backbone interact. energy: 1.200
local terms energy: -59.094812
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -13.009
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -299.661937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.661937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.661937 (E_RNA)
where:
Base-Base interactions energy: -206.209
where: short stacking energy: -87.151
Base-Backbone interact. energy: -0.070
local terms energy: -93.383236
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -18.926
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -22.493
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: 2, replica: 2
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -316.405063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.405063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.405063 (E_RNA)
where:
Base-Base interactions energy: -223.989
where: short stacking energy: -96.531
Base-Backbone interact. energy: -0.021
local terms energy: -92.394953
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -13.900
flat angles C4'-P-C4' energy: -24.701
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -24.713
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: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -265.764432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.764432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.764432 (E_RNA)
where:
Base-Base interactions energy: -177.687
where: short stacking energy: -73.533
Base-Backbone interact. energy: -0.434
local terms energy: -87.643872
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -22.324
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -16.940
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: 115
Temperature: 1.050000
Total energy: -292.031680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.031680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.031680 (E_RNA)
where:
Base-Base interactions energy: -198.952
where: short stacking energy: -92.894
Base-Backbone interact. energy: -0.636
local terms energy: -92.443403
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -19.748
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -13.781
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -270.286970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.286970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.286970 (E_RNA)
where:
Base-Base interactions energy: -173.401
where: short stacking energy: -81.052
Base-Backbone interact. energy: -0.968
local terms energy: -95.917782
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -16.657
tors. eta vs tors. theta energy: -23.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -270.604934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.604934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.604934 (E_RNA)
where:
Base-Base interactions energy: -182.985
where: short stacking energy: -83.007
Base-Backbone interact. energy: -1.627
local terms energy: -85.993243
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -20.545
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -23.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -117.334348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.334348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.334348 (E_RNA)
where:
Base-Base interactions energy: -48.565
where: short stacking energy: -32.210
Base-Backbone interact. energy: -0.021
local terms energy: -68.748646
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -21.546
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -135.142588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.142588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.142588 (E_RNA)
where:
Base-Base interactions energy: -70.542
where: short stacking energy: -44.119
Base-Backbone interact. energy: -0.310
local terms energy: -64.290806
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -6.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -110.797824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.797824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.797824 (E_RNA)
where:
Base-Base interactions energy: -51.241
where: short stacking energy: -37.128
Base-Backbone interact. energy: -0.215
local terms energy: -59.341339
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -10.723
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -85.573649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.573649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.573649 (E_RNA)
where:
Base-Base interactions energy: -32.098
where: short stacking energy: -30.173
Base-Backbone interact. energy: -0.216
local terms energy: -53.259454
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -8.462
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -0.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -310.176335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.176335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.176335 (E_RNA)
where:
Base-Base interactions energy: -216.862
where: short stacking energy: -85.956
Base-Backbone interact. energy: -0.043
local terms energy: -93.271880
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -20.490
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -22.885
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: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -301.176858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.176858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.176858 (E_RNA)
where:
Base-Base interactions energy: -204.320
where: short stacking energy: -87.617
Base-Backbone interact. energy: 0.393
local terms energy: -97.249340
where:
bonds (distance) C4'-P energy: -20.446
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -16.536
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -288.656854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.656854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.656854 (E_RNA)
where:
Base-Base interactions energy: -200.494
where: short stacking energy: -89.324
Base-Backbone interact. energy: -0.544
local terms energy: -87.618738
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -16.013
tors. eta vs tors. theta energy: -23.320
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: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -269.483736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.483736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.483736 (E_RNA)
where:
Base-Base interactions energy: -170.213
where: short stacking energy: -84.068
Base-Backbone interact. energy: -0.501
local terms energy: -98.769584
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -29.129
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: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -283.343731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.343731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.343731 (E_RNA)
where:
Base-Base interactions energy: -194.505
where: short stacking energy: -76.502
Base-Backbone interact. energy: -0.549
local terms energy: -88.289331
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -18.391
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -23.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -267.247013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.247013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.247013 (E_RNA)
where:
Base-Base interactions energy: -183.190
where: short stacking energy: -81.613
Base-Backbone interact. energy: -0.202
local terms energy: -83.855189
where:
bonds (distance) C4'-P energy: -19.356
bonds (distance) P-C4' energy: -12.974
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -20.240
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: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -137.764009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.764009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.764009 (E_RNA)
where:
Base-Base interactions energy: -61.014
where: short stacking energy: -56.553
Base-Backbone interact. energy: -0.245
local terms energy: -76.504272
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -20.962
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -120.236805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.236805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.236805 (E_RNA)
where:
Base-Base interactions energy: -56.526
where: short stacking energy: -47.467
Base-Backbone interact. energy: -0.078
local terms energy: -63.632509
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -19.018
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -9.295
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -97.495716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.495716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.495716 (E_RNA)
where:
Base-Base interactions energy: -34.393
where: short stacking energy: -34.117
Base-Backbone interact. energy: -0.327
local terms energy: -62.776142
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -20.152
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -2.185
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: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -109.075031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.075031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.075031 (E_RNA)
where:
Base-Base interactions energy: -40.644
where: short stacking energy: -40.194
Base-Backbone interact. energy: -0.362
local terms energy: -68.069078
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -11.685
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: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -311.285806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.285806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.285806 (E_RNA)
where:
Base-Base interactions energy: -221.755
where: short stacking energy: -87.478
Base-Backbone interact. energy: 1.363
local terms energy: -90.893492
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -24.034
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: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -300.679624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.679624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.679624 (E_RNA)
where:
Base-Base interactions energy: -205.534
where: short stacking energy: -85.653
Base-Backbone interact. energy: -1.317
local terms energy: -93.829433
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -15.216
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: 3, replica: 10
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -293.582502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.582502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.582502 (E_RNA)
where:
Base-Base interactions energy: -205.304
where: short stacking energy: -82.675
Base-Backbone interact. energy: -0.188
local terms energy: -88.090943
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -21.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -277.862940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.862940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.862940 (E_RNA)
where:
Base-Base interactions energy: -184.681
where: short stacking energy: -81.406
Base-Backbone interact. energy: -0.068
local terms energy: -93.113980
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -11.890
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: 5, replica: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -261.309679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.309679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.309679 (E_RNA)
where:
Base-Base interactions energy: -176.850
where: short stacking energy: -82.774
Base-Backbone interact. energy: 3.980
local terms energy: -88.440225
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -22.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -263.998461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.998461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.998461 (E_RNA)
where:
Base-Base interactions energy: -181.150
where: short stacking energy: -82.399
Base-Backbone interact. energy: 0.661
local terms energy: -83.508823
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -11.618
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -20.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -129.125826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.125826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.125826 (E_RNA)
where:
Base-Base interactions energy: -65.899
where: short stacking energy: -40.446
Base-Backbone interact. energy: -0.085
local terms energy: -63.142336
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -15.525
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -5.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -103.441468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.441468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.441468 (E_RNA)
where:
Base-Base interactions energy: -38.455
where: short stacking energy: -38.455
Base-Backbone interact. energy: -0.137
local terms energy: -64.849042
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -5.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -98.665606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.665606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.665606 (E_RNA)
where:
Base-Base interactions energy: -46.505
where: short stacking energy: -36.444
Base-Backbone interact. energy: -0.343
local terms energy: -51.816847
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -1.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -102.220101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.220101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.220101 (E_RNA)
where:
Base-Base interactions energy: -42.258
where: short stacking energy: -42.464
Base-Backbone interact. energy: -1.297
local terms energy: -58.664453
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -8.100
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: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -312.662326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.662326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.662326 (E_RNA)
where:
Base-Base interactions energy: -217.182
where: short stacking energy: -89.136
Base-Backbone interact. energy: 1.476
local terms energy: -96.955998
where:
bonds (distance) C4'-P energy: -21.629
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -19.173
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: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -305.137846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.137846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.137846 (E_RNA)
where:
Base-Base interactions energy: -201.779
where: short stacking energy: -94.537
Base-Backbone interact. energy: -0.008
local terms energy: -103.350627
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -23.400
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -23.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -293.729343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.729343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.729343 (E_RNA)
where:
Base-Base interactions energy: -196.772
where: short stacking energy: -82.584
Base-Backbone interact. energy: -0.090
local terms energy: -96.866731
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -27.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -276.648870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.648870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.648870 (E_RNA)
where:
Base-Base interactions energy: -181.932
where: short stacking energy: -86.257
Base-Backbone interact. energy: -0.367
local terms energy: -94.349959
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -21.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -270.295274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.295274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.295274 (E_RNA)
where:
Base-Base interactions energy: -175.940
where: short stacking energy: -83.107
Base-Backbone interact. energy: -0.105
local terms energy: -94.249631
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -22.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -262.773570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.773570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.773570 (E_RNA)
where:
Base-Base interactions energy: -170.446
where: short stacking energy: -83.907
Base-Backbone interact. energy: -0.001
local terms energy: -92.326880
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -18.684
flat angles C4'-P-C4' energy: -23.025
flat angles P-C4'-P energy: -12.797
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: 7, replica: 6
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -105.160725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.160725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.160725 (E_RNA)
where:
Base-Base interactions energy: -35.468
where: short stacking energy: -35.468
Base-Backbone interact. energy: -0.111
local terms energy: -69.581500
where:
bonds (distance) C4'-P energy: -20.069
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -5.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -122.281101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.281101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.281101 (E_RNA)
where:
Base-Base interactions energy: -44.264
where: short stacking energy: -44.264
Base-Backbone interact. energy: -0.213
local terms energy: -77.803603
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -20.997
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -12.721
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: 9, replica: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -101.976624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.976624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.976624 (E_RNA)
where:
Base-Base interactions energy: -39.566
where: short stacking energy: -39.566
Base-Backbone interact. energy: -0.179
local terms energy: -62.231366
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -8.556
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -10.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -86.433444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.433444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.433444 (E_RNA)
where:
Base-Base interactions energy: -30.349
where: short stacking energy: -18.572
Base-Backbone interact. energy: -0.403
local terms energy: -55.681733
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: 1.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -312.536156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.536156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.536156 (E_RNA)
where:
Base-Base interactions energy: -224.960
where: short stacking energy: -86.545
Base-Backbone interact. energy: 0.649
local terms energy: -88.224909
where:
bonds (distance) C4'-P energy: -18.714
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -16.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -300.610982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.610982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.610982 (E_RNA)
where:
Base-Base interactions energy: -206.524
where: short stacking energy: -93.111
Base-Backbone interact. energy: -0.008
local terms energy: -94.078785
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -11.615
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -25.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -302.048896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.048896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.048896 (E_RNA)
where:
Base-Base interactions energy: -212.165
where: short stacking energy: -97.731
Base-Backbone interact. energy: -0.024
local terms energy: -89.859193
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -22.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -273.570648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.570648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.570648 (E_RNA)
where:
Base-Base interactions energy: -183.989
where: short stacking energy: -85.739
Base-Backbone interact. energy: -0.176
local terms energy: -89.406297
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -20.037
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -20.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -268.341754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.341754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.341754 (E_RNA)
where:
Base-Base interactions energy: -182.350
where: short stacking energy: -93.243
Base-Backbone interact. energy: -0.063
local terms energy: -85.928780
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -27.718
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: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -261.333431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.333431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.333431 (E_RNA)
where:
Base-Base interactions energy: -168.836
where: short stacking energy: -71.264
Base-Backbone interact. energy: -0.379
local terms energy: -92.118515
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -13.792
flat angles P-C4'-P energy: -17.083
tors. eta vs tors. theta energy: -20.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -102.142454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.142454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.142454 (E_RNA)
where:
Base-Base interactions energy: -41.145
where: short stacking energy: -38.979
Base-Backbone interact. energy: -1.393
local terms energy: -59.604386
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: 0.240
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: 3
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -116.243060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.243060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.243060 (E_RNA)
where:
Base-Base interactions energy: -47.484
where: short stacking energy: -47.484
Base-Backbone interact. energy: -0.200
local terms energy: -68.558666
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -17.916
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -8.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -117.374916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.374916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.374916 (E_RNA)
where:
Base-Base interactions energy: -53.478
where: short stacking energy: -29.976
Base-Backbone interact. energy: 0.196
local terms energy: -64.092138
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -100.105588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.105588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.105588 (E_RNA)
where:
Base-Base interactions energy: -41.233
where: short stacking energy: -41.375
Base-Backbone interact. energy: 1.460
local terms energy: -60.332732
where:
bonds (distance) C4'-P energy: -11.844
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -5.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -311.477738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.477738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.477738 (E_RNA)
where:
Base-Base interactions energy: -225.498
where: short stacking energy: -83.509
Base-Backbone interact. energy: -0.996
local terms energy: -84.983193
where:
bonds (distance) C4'-P energy: -20.995
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -19.596
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -15.034
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: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -292.413206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.413206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.413206 (E_RNA)
where:
Base-Base interactions energy: -197.110
where: short stacking energy: -87.992
Base-Backbone interact. energy: -0.124
local terms energy: -95.178590
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -20.098
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -24.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -292.792528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.792528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.792528 (E_RNA)
where:
Base-Base interactions energy: -203.731
where: short stacking energy: -86.845
Base-Backbone interact. energy: -0.351
local terms energy: -88.711185
where:
bonds (distance) C4'-P energy: -20.981
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -269.083128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.083128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.083128 (E_RNA)
where:
Base-Base interactions energy: -182.469
where: short stacking energy: -82.028
Base-Backbone interact. energy: -1.626
local terms energy: -84.988278
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -20.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -274.466495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.466495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.466495 (E_RNA)
where:
Base-Base interactions energy: -179.412
where: short stacking energy: -88.444
Base-Backbone interact. energy: -0.021
local terms energy: -95.034195
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -22.160
flat angles P-C4'-P energy: -12.525
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: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -257.555047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.555047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.555047 (E_RNA)
where:
Base-Base interactions energy: -171.365
where: short stacking energy: -78.121
Base-Backbone interact. energy: -0.057
local terms energy: -86.132498
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -20.640
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -23.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -119.858390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.858390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.858390 (E_RNA)
where:
Base-Base interactions energy: -40.992
where: short stacking energy: -40.992
Base-Backbone interact. energy: -0.099
local terms energy: -78.766934
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -22.861
flat angles C4'-P-C4' energy: -20.452
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -7.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -104.904709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.904709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.904709 (E_RNA)
where:
Base-Base interactions energy: -40.292
where: short stacking energy: -32.665
Base-Backbone interact. energy: 0.273
local terms energy: -64.885953
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -12.005
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -104.280242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.280242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.280242 (E_RNA)
where:
Base-Base interactions energy: -38.240
where: short stacking energy: -38.068
Base-Backbone interact. energy: -0.382
local terms energy: -65.658480
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -7.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -88.453029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.453029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.453029 (E_RNA)
where:
Base-Base interactions energy: -25.663
where: short stacking energy: -22.360
Base-Backbone interact. energy: 0.857
local terms energy: -63.646579
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -19.981
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: 0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -309.754575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.754575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.754575 (E_RNA)
where:
Base-Base interactions energy: -218.587
where: short stacking energy: -84.537
Base-Backbone interact. energy: -0.111
local terms energy: -91.056021
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -291.917639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.917639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.917639 (E_RNA)
where:
Base-Base interactions energy: -191.652
where: short stacking energy: -87.236
Base-Backbone interact. energy: -0.223
local terms energy: -100.043164
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -22.330
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -28.991
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: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -290.790771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.790771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.790771 (E_RNA)
where:
Base-Base interactions energy: -204.302
where: short stacking energy: -89.846
Base-Backbone interact. energy: -0.723
local terms energy: -85.765689
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -19.341
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -22.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -276.339861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.339861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.339861 (E_RNA)
where:
Base-Base interactions energy: -183.105
where: short stacking energy: -84.170
Base-Backbone interact. energy: -0.146
local terms energy: -93.088441
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -20.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -273.076794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.076794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.076794 (E_RNA)
where:
Base-Base interactions energy: -172.412
where: short stacking energy: -85.977
Base-Backbone interact. energy: -0.495
local terms energy: -100.170391
where:
bonds (distance) C4'-P energy: -15.696
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -21.432
flat angles P-C4'-P energy: -16.685
tors. eta vs tors. theta energy: -26.108
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: 6, replica: 4
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -262.321075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.321075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.321075 (E_RNA)
where:
Base-Base interactions energy: -171.654
where: short stacking energy: -85.428
Base-Backbone interact. energy: -0.169
local terms energy: -90.498508
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -16.969
tors. eta vs tors. theta energy: -25.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -126.391168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.391168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.391168 (E_RNA)
where:
Base-Base interactions energy: -56.184
where: short stacking energy: -42.150
Base-Backbone interact. energy: -0.107
local terms energy: -70.099692
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -8.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -103.903679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.903679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.903679 (E_RNA)
where:
Base-Base interactions energy: -45.097
where: short stacking energy: -45.097
Base-Backbone interact. energy: -0.146
local terms energy: -58.660293
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -110.353815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.353815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.353815 (E_RNA)
where:
Base-Base interactions energy: -45.153
where: short stacking energy: -30.584
Base-Backbone interact. energy: -0.908
local terms energy: -64.292660
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -0.284
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: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -116.175427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.175427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.175427 (E_RNA)
where:
Base-Base interactions energy: -53.756
where: short stacking energy: -34.116
Base-Backbone interact. energy: -0.386
local terms energy: -62.033477
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -12.449
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: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -304.796454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.796454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.796454 (E_RNA)
where:
Base-Base interactions energy: -214.083
where: short stacking energy: -94.409
Base-Backbone interact. energy: -0.242
local terms energy: -90.471418
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -13.931
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: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -296.754284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.754284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.754284 (E_RNA)
where:
Base-Base interactions energy: -202.638
where: short stacking energy: -81.245
Base-Backbone interact. energy: 1.565
local terms energy: -95.681581
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -21.668
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -15.304
tors. eta vs tors. theta energy: -18.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -285.602115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.602115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.602115 (E_RNA)
where:
Base-Base interactions energy: -188.983
where: short stacking energy: -81.776
Base-Backbone interact. energy: -0.037
local terms energy: -96.582180
where:
bonds (distance) C4'-P energy: -19.467
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -15.266
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: 4, replica: 10
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -289.895410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.895410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.895410 (E_RNA)
where:
Base-Base interactions energy: -188.176
where: short stacking energy: -89.203
Base-Backbone interact. energy: -0.745
local terms energy: -100.974575
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -24.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -269.901161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.901161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.901161 (E_RNA)
where:
Base-Base interactions energy: -169.923
where: short stacking energy: -84.527
Base-Backbone interact. energy: -2.530
local terms energy: -97.448483
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -27.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -252.606187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.606187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.606187 (E_RNA)
where:
Base-Base interactions energy: -171.669
where: short stacking energy: -83.046
Base-Backbone interact. energy: -0.010
local terms energy: -80.926602
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -12.679
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -22.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -121.338784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.338784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.338784 (E_RNA)
where:
Base-Base interactions energy: -49.995
where: short stacking energy: -40.125
Base-Backbone interact. energy: 1.184
local terms energy: -72.527526
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -13.974
tors. eta vs tors. theta energy: -10.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -165.509667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.509667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.509667 (E_RNA)
where:
Base-Base interactions energy: -87.418
where: short stacking energy: -47.937
Base-Backbone interact. energy: -1.105
local terms energy: -76.986169
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -18.917
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -12.700
tors. eta vs tors. theta energy: -10.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -126.965002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.965002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.965002 (E_RNA)
where:
Base-Base interactions energy: -69.743
where: short stacking energy: -36.360
Base-Backbone interact. energy: 0.180
local terms energy: -57.402210
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -1.830
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: 122
Temperature: 1.350000
Total energy: -103.621902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.621902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.621902 (E_RNA)
where:
Base-Base interactions energy: -33.567
where: short stacking energy: -33.567
Base-Backbone interact. energy: 0.109
local terms energy: -70.164326
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -13.189
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: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -308.365534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.365534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.365534 (E_RNA)
where:
Base-Base interactions energy: -216.045
where: short stacking energy: -90.790
Base-Backbone interact. energy: -0.003
local terms energy: -92.316601
where:
bonds (distance) C4'-P energy: -19.080
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -25.618
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: 2
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -285.663208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.663208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.663208 (E_RNA)
where:
Base-Base interactions energy: -194.580
where: short stacking energy: -80.432
Base-Backbone interact. energy: -1.888
local terms energy: -89.195612
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -13.400
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: 3, replica: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -292.419272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.419272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.419272 (E_RNA)
where:
Base-Base interactions energy: -202.308
where: short stacking energy: -83.949
Base-Backbone interact. energy: -1.835
local terms energy: -88.276031
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -23.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -288.000874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.000874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.000874 (E_RNA)
where:
Base-Base interactions energy: -196.474
where: short stacking energy: -90.909
Base-Backbone interact. energy: -0.008
local terms energy: -91.519267
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -18.606
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -12.679
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: 5, replica: 10
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -261.830841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.830841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.830841 (E_RNA)
where:
Base-Base interactions energy: -172.617
where: short stacking energy: -87.049
Base-Backbone interact. energy: -0.668
local terms energy: -88.546004
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -13.250
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: 6, replica: 4
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -264.133117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.133117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.133117 (E_RNA)
where:
Base-Base interactions energy: -176.614
where: short stacking energy: -77.241
Base-Backbone interact. energy: -0.683
local terms energy: -86.836387
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -112.438832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.438832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.438832 (E_RNA)
where:
Base-Base interactions energy: -44.172
where: short stacking energy: -42.239
Base-Backbone interact. energy: -0.446
local terms energy: -67.821136
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -5.603
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: 8, replica: 3
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -167.489333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.489333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.489333 (E_RNA)
where:
Base-Base interactions energy: -96.108
where: short stacking energy: -49.439
Base-Backbone interact. energy: -0.069
local terms energy: -71.312067
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -103.875053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.875053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.875053 (E_RNA)
where:
Base-Base interactions energy: -39.735
where: short stacking energy: -31.068
Base-Backbone interact. energy: -0.074
local terms energy: -64.065870
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -1.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -92.396878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.396878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.396878 (E_RNA)
where:
Base-Base interactions energy: -28.542
where: short stacking energy: -28.542
Base-Backbone interact. energy: -0.093
local terms energy: -63.761445
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -299.855561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.855561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.855561 (E_RNA)
where:
Base-Base interactions energy: -205.822
where: short stacking energy: -90.590
Base-Backbone interact. energy: -0.119
local terms energy: -93.914367
where:
bonds (distance) C4'-P energy: -13.024
bonds (distance) P-C4' energy: -22.333
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -25.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -300.756686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.756686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.756686 (E_RNA)
where:
Base-Base interactions energy: -208.391
where: short stacking energy: -90.881
Base-Backbone interact. energy: -0.568
local terms energy: -91.797693
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -15.381
tors. eta vs tors. theta energy: -24.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -286.212637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.212637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.212637 (E_RNA)
where:
Base-Base interactions energy: -195.595
where: short stacking energy: -94.302
Base-Backbone interact. energy: 0.158
local terms energy: -90.775938
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -22.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -288.942354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.942354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.942354 (E_RNA)
where:
Base-Base interactions energy: -203.315
where: short stacking energy: -78.793
Base-Backbone interact. energy: 1.549
local terms energy: -87.176510
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -275.935133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.935133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.935133 (E_RNA)
where:
Base-Base interactions energy: -179.366
where: short stacking energy: -89.278
Base-Backbone interact. energy: -0.022
local terms energy: -96.547252
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -20.516
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -25.997
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: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -261.788576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.788576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.788576 (E_RNA)
where:
Base-Base interactions energy: -173.515
where: short stacking energy: -84.335
Base-Backbone interact. energy: -0.033
local terms energy: -88.240138
where:
bonds (distance) C4'-P energy: -9.376
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -23.800
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: 7, replica: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -165.721944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.721944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.721944 (E_RNA)
where:
Base-Base interactions energy: -90.969
where: short stacking energy: -54.151
Base-Backbone interact. energy: -1.581
local terms energy: -73.172185
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -14.771
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -11.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -128.126268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.126268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.126268 (E_RNA)
where:
Base-Base interactions energy: -61.844
where: short stacking energy: -32.298
Base-Backbone interact. energy: -0.557
local terms energy: -65.725682
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -22.570
flat angles C4'-P-C4' energy: -10.226
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -4.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -96.017615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.017615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.017615 (E_RNA)
where:
Base-Base interactions energy: -39.803
where: short stacking energy: -39.803
Base-Backbone interact. energy: -0.073
local terms energy: -56.141185
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -85.476945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.476945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.476945 (E_RNA)
where:
Base-Base interactions energy: -28.047
where: short stacking energy: -23.652
Base-Backbone interact. energy: -0.247
local terms energy: -57.183419
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -8.249
tors. eta vs tors. theta energy: 2.653
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: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -304.670718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.670718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.670718 (E_RNA)
where:
Base-Base interactions energy: -209.877
where: short stacking energy: -91.235
Base-Backbone interact. energy: -0.700
local terms energy: -94.093096
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -12.602
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: 2, replica: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -304.873263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.873263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.873263 (E_RNA)
where:
Base-Base interactions energy: -205.750
where: short stacking energy: -92.145
Base-Backbone interact. energy: -0.104
local terms energy: -99.019028
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -23.427
flat angles P-C4'-P energy: -13.563
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: 3, replica: 1
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -283.380727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.380727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.380727 (E_RNA)
where:
Base-Base interactions energy: -188.555
where: short stacking energy: -90.916
Base-Backbone interact. energy: -0.038
local terms energy: -94.788337
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -26.282
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: 4, replica: 7
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -293.997775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.997775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.997775 (E_RNA)
where:
Base-Base interactions energy: -219.525
where: short stacking energy: -76.792
Base-Backbone interact. energy: -0.421
local terms energy: -74.051948
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -12.514
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: 5, replica: 10
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -263.523090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.523090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.523090 (E_RNA)
where:
Base-Base interactions energy: -177.848
where: short stacking energy: -85.892
Base-Backbone interact. energy: -1.718
local terms energy: -83.957438
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -11.475
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -16.604
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: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -259.414437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.414437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.414437 (E_RNA)
where:
Base-Base interactions energy: -161.644
where: short stacking energy: -75.336
Base-Backbone interact. energy: -0.112
local terms energy: -97.658599
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -19.677
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -15.147
tors. eta vs tors. theta energy: -23.398
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: 3
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -117.761168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.761168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.761168 (E_RNA)
where:
Base-Base interactions energy: -60.860
where: short stacking energy: -49.352
Base-Backbone interact. energy: 2.226
local terms energy: -59.127386
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -8.989
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -6.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -159.933320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.933320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.933320 (E_RNA)
where:
Base-Base interactions energy: -92.799
where: short stacking energy: -45.812
Base-Backbone interact. energy: -1.016
local terms energy: -66.118201
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -21.497
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -103.804704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.804704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.804704 (E_RNA)
where:
Base-Base interactions energy: -43.479
where: short stacking energy: -28.581
Base-Backbone interact. energy: -0.633
local terms energy: -59.692146
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -7.105
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: 10, replica: 6
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -111.190526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.190526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.190526 (E_RNA)
where:
Base-Base interactions energy: -50.234
where: short stacking energy: -31.917
Base-Backbone interact. energy: 1.755
local terms energy: -62.712421
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: 2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -310.102423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.102423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.102423 (E_RNA)
where:
Base-Base interactions energy: -217.311
where: short stacking energy: -89.932
Base-Backbone interact. energy: -0.408
local terms energy: -92.383636
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -21.687
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: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -300.505192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.505192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.505192 (E_RNA)
where:
Base-Base interactions energy: -210.245
where: short stacking energy: -82.661
Base-Backbone interact. energy: 0.758
local terms energy: -91.018118
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -9.955
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: 126
Temperature: 1.000000
Total energy: -304.759724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.759724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.759724 (E_RNA)
where:
Base-Base interactions energy: -208.209
where: short stacking energy: -93.327
Base-Backbone interact. energy: -0.878
local terms energy: -95.673011
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -17.636
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -25.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -290.748117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.748117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.748117 (E_RNA)
where:
Base-Base interactions energy: -206.389
where: short stacking energy: -78.284
Base-Backbone interact. energy: -0.192
local terms energy: -84.167464
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -17.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -260.148737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.148737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.148737 (E_RNA)
where:
Base-Base interactions energy: -177.072
where: short stacking energy: -59.966
Base-Backbone interact. energy: -0.298
local terms energy: -82.779090
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -17.290
tors. eta vs tors. theta energy: -13.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -256.195768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.195768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.195768 (E_RNA)
where:
Base-Base interactions energy: -170.015
where: short stacking energy: -84.676
Base-Backbone interact. energy: -0.467
local terms energy: -85.713622
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -24.197
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: 126
Temperature: 1.200000
Total energy: -177.188752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.188752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.188752 (E_RNA)
where:
Base-Base interactions energy: -113.443
where: short stacking energy: -52.546
Base-Backbone interact. energy: -0.945
local terms energy: -62.800826
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -10.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -97.284976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.284976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.284976 (E_RNA)
where:
Base-Base interactions energy: -44.066
where: short stacking energy: -34.082
Base-Backbone interact. energy: 1.892
local terms energy: -55.110960
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -23.268
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -1.719
tors. eta vs tors. theta energy: 5.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -111.871957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.871957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.871957 (E_RNA)
where:
Base-Base interactions energy: -53.544
where: short stacking energy: -32.585
Base-Backbone interact. energy: -0.487
local terms energy: -57.841169
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -2.561
tors. eta vs tors. theta energy: -10.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -89.406747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.406747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.406747 (E_RNA)
where:
Base-Base interactions energy: -27.297
where: short stacking energy: -27.297
Base-Backbone interact. energy: -1.992
local terms energy: -60.117923
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -10.014
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: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -308.743671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.743671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.743671 (E_RNA)
where:
Base-Base interactions energy: -212.720
where: short stacking energy: -87.365
Base-Backbone interact. energy: -0.918
local terms energy: -95.105595
where:
bonds (distance) C4'-P energy: -19.895
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -19.462
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: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -303.598715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.598715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.598715 (E_RNA)
where:
Base-Base interactions energy: -208.282
where: short stacking energy: -96.429
Base-Backbone interact. energy: -0.010
local terms energy: -95.306868
where:
bonds (distance) C4'-P energy: -18.321
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -12.789
tors. eta vs tors. theta energy: -24.185
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: 3, replica: 8
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -298.054048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.054048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.054048 (E_RNA)
where:
Base-Base interactions energy: -209.007
where: short stacking energy: -92.481
Base-Backbone interact. energy: -0.004
local terms energy: -89.043243
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -15.490
tors. eta vs tors. theta energy: -24.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -295.920602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.920602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.920602 (E_RNA)
where:
Base-Base interactions energy: -205.279
where: short stacking energy: -89.564
Base-Backbone interact. energy: -0.044
local terms energy: -90.597512
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -13.163
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: 4
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -272.655733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.655733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.655733 (E_RNA)
where:
Base-Base interactions energy: -171.194
where: short stacking energy: -85.843
Base-Backbone interact. energy: -0.786
local terms energy: -100.675533
where:
bonds (distance) C4'-P energy: -20.926
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -14.375
tors. eta vs tors. theta energy: -26.870
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: 10
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -272.703542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.703542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.703542 (E_RNA)
where:
Base-Base interactions energy: -180.182
where: short stacking energy: -91.215
Base-Backbone interact. energy: -0.183
local terms energy: -92.339013
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -29.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -207.677186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.677186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.677186 (E_RNA)
where:
Base-Base interactions energy: -126.983
where: short stacking energy: -64.935
Base-Backbone interact. energy: -0.225
local terms energy: -80.469052
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -14.893
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: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -113.945272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.945272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.945272 (E_RNA)
where:
Base-Base interactions energy: -53.185
where: short stacking energy: -34.088
Base-Backbone interact. energy: -0.180
local terms energy: -60.579720
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: 1.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -94.187528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.187528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.187528 (E_RNA)
where:
Base-Base interactions energy: -34.319
where: short stacking energy: -31.666
Base-Backbone interact. energy: 0.321
local terms energy: -60.189739
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -93.077115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.077115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.077115 (E_RNA)
where:
Base-Base interactions energy: -22.579
where: short stacking energy: -21.926
Base-Backbone interact. energy: -0.015
local terms energy: -70.482801
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -16.621
tors. eta vs tors. theta energy: -0.065
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: 2
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -313.760679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.760679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.760679 (E_RNA)
where:
Base-Base interactions energy: -215.683
where: short stacking energy: -92.466
Base-Backbone interact. energy: -0.114
local terms energy: -97.964042
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -295.782393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.782393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.782393 (E_RNA)
where:
Base-Base interactions energy: -192.761
where: short stacking energy: -99.723
Base-Backbone interact. energy: -0.010
local terms energy: -103.011579
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -21.162
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -29.970
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: 7
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -306.525539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.525539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.525539 (E_RNA)
where:
Base-Base interactions energy: -216.039
where: short stacking energy: -91.798
Base-Backbone interact. energy: -0.154
local terms energy: -90.332534
where:
bonds (distance) C4'-P energy: -19.696
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -22.399
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: 128
Temperature: 1.050000
Total energy: -300.836842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.836842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.836842 (E_RNA)
where:
Base-Base interactions energy: -199.423
where: short stacking energy: -95.464
Base-Backbone interact. energy: -0.390
local terms energy: -101.024700
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -14.820
tors. eta vs tors. theta energy: -27.151
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: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -279.364061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.364061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.364061 (E_RNA)
where:
Base-Base interactions energy: -184.704
where: short stacking energy: -87.417
Base-Backbone interact. energy: -0.013
local terms energy: -94.647295
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -21.951
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -29.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -268.449139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.449139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.449139 (E_RNA)
where:
Base-Base interactions energy: -176.435
where: short stacking energy: -93.538
Base-Backbone interact. energy: -0.026
local terms energy: -91.988259
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -23.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -285.184171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.184171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.184171 (E_RNA)
where:
Base-Base interactions energy: -189.885
where: short stacking energy: -87.768
Base-Backbone interact. energy: -0.479
local terms energy: -94.820824
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -22.550
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -28.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -141.424801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.424801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.424801 (E_RNA)
where:
Base-Base interactions energy: -79.241
where: short stacking energy: -55.417
Base-Backbone interact. energy: -0.223
local terms energy: -61.960950
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -19.584
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -88.411176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.411176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.411176 (E_RNA)
where:
Base-Base interactions energy: -31.616
where: short stacking energy: -24.224
Base-Backbone interact. energy: -0.131
local terms energy: -56.664571
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -18.063
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -8.145
tors. eta vs tors. theta energy: 3.841
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: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -108.111010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.111010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.111010 (E_RNA)
where:
Base-Base interactions energy: -51.816
where: short stacking energy: -49.389
Base-Backbone interact. energy: -0.430
local terms energy: -55.865045
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -7.015
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -7.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -308.043366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.043366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.043366 (E_RNA)
where:
Base-Base interactions energy: -209.566
where: short stacking energy: -85.528
Base-Backbone interact. energy: -0.513
local terms energy: -97.964877
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -21.242
flat angles P-C4'-P energy: -17.605
tors. eta vs tors. theta energy: -20.642
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: 129
Temperature: 0.950000
Total energy: -302.482797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.482797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.482797 (E_RNA)
where:
Base-Base interactions energy: -203.703
where: short stacking energy: -92.342
Base-Backbone interact. energy: -2.042
local terms energy: -96.738427
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -21.792
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -23.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -290.123229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.123229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.123229 (E_RNA)
where:
Base-Base interactions energy: -189.803
where: short stacking energy: -95.943
Base-Backbone interact. energy: -1.541
local terms energy: -98.779042
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: -26.844
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: 4
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -272.845052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.845052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.845052 (E_RNA)
where:
Base-Base interactions energy: -174.802
where: short stacking energy: -71.597
Base-Backbone interact. energy: -0.168
local terms energy: -97.874687
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -21.173
flat angles C4'-P-C4' energy: -22.380
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -263.136482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.136482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.136482 (E_RNA)
where:
Base-Base interactions energy: -179.250
where: short stacking energy: -76.142
Base-Backbone interact. energy: -0.219
local terms energy: -83.667254
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -14.945
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: 6, replica: 9
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -289.182086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.182086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.182086 (E_RNA)
where:
Base-Base interactions energy: -194.238
where: short stacking energy: -92.032
Base-Backbone interact. energy: -0.016
local terms energy: -94.928488
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -27.037
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: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -252.922450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.922450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.922450 (E_RNA)
where:
Base-Base interactions energy: -160.671
where: short stacking energy: -69.090
Base-Backbone interact. energy: -0.420
local terms energy: -91.832004
where:
bonds (distance) C4'-P energy: -21.018
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -23.659
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: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -154.696883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.696883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.696883 (E_RNA)
where:
Base-Base interactions energy: -84.116
where: short stacking energy: -46.480
Base-Backbone interact. energy: -0.318
local terms energy: -70.262219
where:
bonds (distance) C4'-P energy: -18.661
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -7.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -111.040448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.040448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.040448 (E_RNA)
where:
Base-Base interactions energy: -35.938
where: short stacking energy: -35.026
Base-Backbone interact. energy: -0.465
local terms energy: -74.637040
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -10.985
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: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -107.634654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.634654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.634654 (E_RNA)
where:
Base-Base interactions energy: -41.465
where: short stacking energy: -39.465
Base-Backbone interact. energy: -0.973
local terms energy: -65.196608
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -303.366869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.366869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.366869 (E_RNA)
where:
Base-Base interactions energy: -216.789
where: short stacking energy: -79.221
Base-Backbone interact. energy: -0.421
local terms energy: -86.156776
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -21.524
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -301.839904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.839904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.839904 (E_RNA)
where:
Base-Base interactions energy: -205.982
where: short stacking energy: -95.701
Base-Backbone interact. energy: -0.400
local terms energy: -95.458667
where:
bonds (distance) C4'-P energy: -18.669
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -24.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -290.204543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.204543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.204543 (E_RNA)
where:
Base-Base interactions energy: -198.210
where: short stacking energy: -88.229
Base-Backbone interact. energy: 0.173
local terms energy: -92.168423
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -21.061
flat angles P-C4'-P energy: -13.116
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: 4, replica: 4
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -273.810096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.810096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.810096 (E_RNA)
where:
Base-Base interactions energy: -183.341
where: short stacking energy: -82.412
Base-Backbone interact. energy: -0.107
local terms energy: -90.361986
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -20.826
flat angles P-C4'-P energy: -14.980
tors. eta vs tors. theta energy: -21.550
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: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -269.545872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.545872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.545872 (E_RNA)
where:
Base-Base interactions energy: -177.871
where: short stacking energy: -78.571
Base-Backbone interact. energy: -0.653
local terms energy: -91.021547
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -20.819
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -13.682
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: 6, replica: 9
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -249.737294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.737294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.737294 (E_RNA)
where:
Base-Base interactions energy: -161.165
where: short stacking energy: -77.517
Base-Backbone interact. energy: -0.609
local terms energy: -87.963519
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -13.823
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: 130
Temperature: 1.200000
Total energy: -252.718035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.718035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.718035 (E_RNA)
where:
Base-Base interactions energy: -162.002
where: short stacking energy: -76.133
Base-Backbone interact. energy: -0.458
local terms energy: -90.257460
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -21.194
flat angles P-C4'-P energy: -10.820
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: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -115.036445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.036445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.036445 (E_RNA)
where:
Base-Base interactions energy: -54.069
where: short stacking energy: -28.037
Base-Backbone interact. energy: -0.428
local terms energy: -60.538658
where:
bonds (distance) C4'-P energy: -18.882
bonds (distance) P-C4' energy: -14.845
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -2.748
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: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -96.208565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.208565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.208565 (E_RNA)
where:
Base-Base interactions energy: -32.021
where: short stacking energy: -25.491
Base-Backbone interact. energy: -0.574
local terms energy: -63.612927
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -21.286
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: 6.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -97.991789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.991789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.991789 (E_RNA)
where:
Base-Base interactions energy: -28.772
where: short stacking energy: -24.928
Base-Backbone interact. energy: -0.288
local terms energy: -68.931801
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -20.764
flat angles C4'-P-C4' energy: -12.724
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -309.457300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.457300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.457300 (E_RNA)
where:
Base-Base interactions energy: -211.871
where: short stacking energy: -85.026
Base-Backbone interact. energy: -0.050
local terms energy: -97.536749
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -17.893
tors. eta vs tors. theta energy: -22.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -295.173221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.173221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.173221 (E_RNA)
where:
Base-Base interactions energy: -197.487
where: short stacking energy: -92.203
Base-Backbone interact. energy: -0.638
local terms energy: -97.048387
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -26.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -286.785392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.785392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.785392 (E_RNA)
where:
Base-Base interactions energy: -196.463
where: short stacking energy: -92.392
Base-Backbone interact. energy: -0.058
local terms energy: -90.264685
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -26.216
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: 4
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -276.199234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.199234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.199234 (E_RNA)
where:
Base-Base interactions energy: -191.099
where: short stacking energy: -90.225
Base-Backbone interact. energy: -0.014
local terms energy: -85.086559
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -12.594
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: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -272.743978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.743978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.743978 (E_RNA)
where:
Base-Base interactions energy: -179.163
where: short stacking energy: -81.632
Base-Backbone interact. energy: -0.105
local terms energy: -93.475493
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -25.125
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: 10
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -271.810197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.810197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.810197 (E_RNA)
where:
Base-Base interactions energy: -171.884
where: short stacking energy: -94.802
Base-Backbone interact. energy: 2.163
local terms energy: -102.089563
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -22.613
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -28.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -252.481400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.481400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.481400 (E_RNA)
where:
Base-Base interactions energy: -169.931
where: short stacking energy: -71.149
Base-Backbone interact. energy: -0.208
local terms energy: -82.342056
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -21.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -134.324246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.324246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.324246 (E_RNA)
where:
Base-Base interactions energy: -65.721
where: short stacking energy: -52.190
Base-Backbone interact. energy: -0.731
local terms energy: -67.871547
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -5.486
tors. eta vs tors. theta energy: -8.652
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: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -90.442293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.442293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.442293 (E_RNA)
where:
Base-Base interactions energy: -32.217
where: short stacking energy: -27.830
Base-Backbone interact. energy: -1.251
local terms energy: -56.974128
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -18.686
flat angles P-C4'-P energy: -3.559
tors. eta vs tors. theta energy: -2.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -101.960210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.960210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.960210 (E_RNA)
where:
Base-Base interactions energy: -37.095
where: short stacking energy: -37.095
Base-Backbone interact. energy: -0.024
local terms energy: -64.841149
where:
bonds (distance) C4'-P energy: -7.028
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -13.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -303.959885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.959885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.959885 (E_RNA)
where:
Base-Base interactions energy: -206.565
where: short stacking energy: -89.995
Base-Backbone interact. energy: -0.318
local terms energy: -97.077370
where:
bonds (distance) C4'-P energy: -19.374
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -22.024
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -24.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -275.672081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.672081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.672081 (E_RNA)
where:
Base-Base interactions energy: -181.797
where: short stacking energy: -91.824
Base-Backbone interact. energy: -0.129
local terms energy: -93.745643
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -26.084
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: 132
Temperature: 1.000000
Total energy: -278.603315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.603315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.603315 (E_RNA)
where:
Base-Base interactions energy: -182.937
where: short stacking energy: -93.995
Base-Backbone interact. energy: -0.099
local terms energy: -95.567987
where:
bonds (distance) C4'-P energy: -17.196
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -21.284
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -28.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -267.591420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.591420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.591420 (E_RNA)
where:
Base-Base interactions energy: -182.805
where: short stacking energy: -87.442
Base-Backbone interact. energy: -0.123
local terms energy: -84.663026
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -262.517307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.517307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.517307 (E_RNA)
where:
Base-Base interactions energy: -179.572
where: short stacking energy: -73.768
Base-Backbone interact. energy: -0.694
local terms energy: -82.251595
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -17.204
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -25.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -257.006280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.006280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.006280 (E_RNA)
where:
Base-Base interactions energy: -166.892
where: short stacking energy: -72.894
Base-Backbone interact. energy: -0.017
local terms energy: -90.096583
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -18.544
flat angles P-C4'-P energy: -16.910
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: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -204.919961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.919961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.919961 (E_RNA)
where:
Base-Base interactions energy: -125.187
where: short stacking energy: -68.142
Base-Backbone interact. energy: -0.223
local terms energy: -79.510459
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -20.574
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -15.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -122.366495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.366495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.366495 (E_RNA)
where:
Base-Base interactions energy: -56.528
where: short stacking energy: -42.822
Base-Backbone interact. energy: -1.144
local terms energy: -64.695202
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -11.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -104.821014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.821014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.821014 (E_RNA)
where:
Base-Base interactions energy: -44.850
where: short stacking energy: -35.716
Base-Backbone interact. energy: -0.357
local terms energy: -59.614784
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -3.482
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: 10, replica: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -85.235978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.235978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.235978 (E_RNA)
where:
Base-Base interactions energy: -30.678
where: short stacking energy: -27.426
Base-Backbone interact. energy: 1.548
local terms energy: -56.106529
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: 3.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -304.669561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.669561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.669561 (E_RNA)
where:
Base-Base interactions energy: -211.929
where: short stacking energy: -86.292
Base-Backbone interact. energy: -0.028
local terms energy: -92.712483
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -22.092
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -291.032470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.032470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.032470 (E_RNA)
where:
Base-Base interactions energy: -190.332
where: short stacking energy: -95.756
Base-Backbone interact. energy: -1.151
local terms energy: -99.550387
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -28.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -278.402102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.402102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.402102 (E_RNA)
where:
Base-Base interactions energy: -176.607
where: short stacking energy: -87.787
Base-Backbone interact. energy: -0.678
local terms energy: -101.117513
where:
bonds (distance) C4'-P energy: -18.744
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -19.008
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -29.760
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: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -276.538310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.538310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.538310 (E_RNA)
where:
Base-Base interactions energy: -181.810
where: short stacking energy: -86.962
Base-Backbone interact. energy: -0.097
local terms energy: -94.631807
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -18.121
tors. eta vs tors. theta energy: -25.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -268.388849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.388849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.388849 (E_RNA)
where:
Base-Base interactions energy: -180.496
where: short stacking energy: -86.551
Base-Backbone interact. energy: -0.167
local terms energy: -87.725914
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -21.908
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -17.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -274.102327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.102327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.102327 (E_RNA)
where:
Base-Base interactions energy: -184.057
where: short stacking energy: -87.801
Base-Backbone interact. energy: -0.571
local terms energy: -89.474683
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -24.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -199.502838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.502838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.502838 (E_RNA)
where:
Base-Base interactions energy: -128.649
where: short stacking energy: -60.156
Base-Backbone interact. energy: -2.866
local terms energy: -67.987257
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -19.948
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -13.033
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: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -105.073066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.073066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.073066 (E_RNA)
where:
Base-Base interactions energy: -38.422
where: short stacking energy: -37.309
Base-Backbone interact. energy: -0.887
local terms energy: -65.763940
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -3.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -91.725741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.725741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.725741 (E_RNA)
where:
Base-Base interactions energy: -36.628
where: short stacking energy: -24.880
Base-Backbone interact. energy: 0.470
local terms energy: -55.567696
where:
bonds (distance) C4'-P energy: -10.099
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -105.567378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.567378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.567378 (E_RNA)
where:
Base-Base interactions energy: -50.582
where: short stacking energy: -42.210
Base-Backbone interact. energy: -0.041
local terms energy: -54.944750
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -11.105
flat angles C4'-P-C4' energy: -10.674
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -6.275
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: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -293.848801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.848801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.848801 (E_RNA)
where:
Base-Base interactions energy: -199.799
where: short stacking energy: -96.075
Base-Backbone interact. energy: 0.098
local terms energy: -94.148163
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -18.061
flat angles C4'-P-C4' energy: -23.413
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -22.973
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: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -305.474763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.474763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.474763 (E_RNA)
where:
Base-Base interactions energy: -209.905
where: short stacking energy: -91.938
Base-Backbone interact. energy: -0.011
local terms energy: -95.558752
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -22.394
flat angles P-C4'-P energy: -16.891
tors. eta vs tors. theta energy: -25.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -280.098719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.098719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.098719 (E_RNA)
where:
Base-Base interactions energy: -189.522
where: short stacking energy: -85.609
Base-Backbone interact. energy: -0.239
local terms energy: -90.337401
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -18.102
flat angles C4'-P-C4' energy: -20.770
flat angles P-C4'-P energy: -13.516
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: 4, replica: 10
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -289.800590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.800590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.800590 (E_RNA)
where:
Base-Base interactions energy: -201.772
where: short stacking energy: -86.620
Base-Backbone interact. energy: -0.011
local terms energy: -88.017596
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -21.663
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: 5, replica: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -276.747612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.747612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.747612 (E_RNA)
where:
Base-Base interactions energy: -187.378
where: short stacking energy: -87.288
Base-Backbone interact. energy: -0.672
local terms energy: -88.697451
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -13.525
tors. eta vs tors. theta energy: -25.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -247.105207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.105207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.105207 (E_RNA)
where:
Base-Base interactions energy: -159.481
where: short stacking energy: -85.457
Base-Backbone interact. energy: -0.227
local terms energy: -87.397593
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -21.211
flat angles P-C4'-P energy: -12.499
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: 9
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -205.354133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.354133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.354133 (E_RNA)
where:
Base-Base interactions energy: -133.487
where: short stacking energy: -60.464
Base-Backbone interact. energy: -0.258
local terms energy: -71.609753
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -12.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -110.217955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.217955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.217955 (E_RNA)
where:
Base-Base interactions energy: -42.198
where: short stacking energy: -37.612
Base-Backbone interact. energy: -0.090
local terms energy: -67.930828
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -14.181
tors. eta vs tors. theta energy: -4.354
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: 6
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -98.309890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.309890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.309890 (E_RNA)
where:
Base-Base interactions energy: -36.951
where: short stacking energy: -30.198
Base-Backbone interact. energy: -0.350
local terms energy: -61.009226
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -1.982
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: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -96.692951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.692951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.692951 (E_RNA)
where:
Base-Base interactions energy: -34.355
where: short stacking energy: -34.355
Base-Backbone interact. energy: -0.125
local terms energy: -62.213367
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -3.812
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: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -295.889651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.889651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.889651 (E_RNA)
where:
Base-Base interactions energy: -190.397
where: short stacking energy: -91.202
Base-Backbone interact. energy: -0.138
local terms energy: -105.355488
where:
bonds (distance) C4'-P energy: -22.113
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -22.362
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -24.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -308.617316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.617316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.617316 (E_RNA)
where:
Base-Base interactions energy: -219.170
where: short stacking energy: -94.553
Base-Backbone interact. energy: -0.004
local terms energy: -89.443392
where:
bonds (distance) C4'-P energy: -10.906
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -21.728
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -25.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -277.936285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.936285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.936285 (E_RNA)
where:
Base-Base interactions energy: -188.618
where: short stacking energy: -88.286
Base-Backbone interact. energy: -0.732
local terms energy: -88.586093
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -19.378
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -26.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -299.351755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.351755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.351755 (E_RNA)
where:
Base-Base interactions energy: -196.951
where: short stacking energy: -92.300
Base-Backbone interact. energy: -1.425
local terms energy: -100.975996
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -21.898
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -14.032
tors. eta vs tors. theta energy: -23.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -280.509111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.509111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.509111 (E_RNA)
where:
Base-Base interactions energy: -185.036
where: short stacking energy: -87.648
Base-Backbone interact. energy: -0.006
local terms energy: -95.467435
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -12.312
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: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -263.481437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.481437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.481437 (E_RNA)
where:
Base-Base interactions energy: -182.830
where: short stacking energy: -86.312
Base-Backbone interact. energy: -0.281
local terms energy: -80.370269
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -19.003
flat angles P-C4'-P energy: -4.204
tors. eta vs tors. theta energy: -23.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -209.973795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.973795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.973795 (E_RNA)
where:
Base-Base interactions energy: -134.017
where: short stacking energy: -77.516
Base-Backbone interact. energy: -0.560
local terms energy: -75.396713
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -9.055
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: 8, replica: 6
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -102.524761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.524761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.524761 (E_RNA)
where:
Base-Base interactions energy: -43.656
where: short stacking energy: -36.894
Base-Backbone interact. energy: 0.126
local terms energy: -58.994840
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -5.641
tors. eta vs tors. theta energy: -6.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -89.324709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.324709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.324709 (E_RNA)
where:
Base-Base interactions energy: -30.090
where: short stacking energy: -22.250
Base-Backbone interact. energy: -0.423
local terms energy: -58.811839
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: 1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -91.408420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.408420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.408420 (E_RNA)
where:
Base-Base interactions energy: -40.076
where: short stacking energy: -24.285
Base-Backbone interact. energy: -0.385
local terms energy: -50.947620
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -12.254
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: 4.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -308.959358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.959358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.959358 (E_RNA)
where:
Base-Base interactions energy: -210.923
where: short stacking energy: -89.960
Base-Backbone interact. energy: -0.523
local terms energy: -97.514055
where:
bonds (distance) C4'-P energy: -22.205
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -12.814
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: 2, replica: 2
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -294.422059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.422059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.422059 (E_RNA)
where:
Base-Base interactions energy: -194.388
where: short stacking energy: -96.193
Base-Backbone interact. energy: -0.680
local terms energy: -99.353828
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -17.632
tors. eta vs tors. theta energy: -25.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -301.584166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.584166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.584166 (E_RNA)
where:
Base-Base interactions energy: -217.225
where: short stacking energy: -79.446
Base-Backbone interact. energy: -0.218
local terms energy: -84.140568
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -22.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -270.632065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.632065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.632065 (E_RNA)
where:
Base-Base interactions energy: -180.735
where: short stacking energy: -89.183
Base-Backbone interact. energy: -0.290
local terms energy: -89.607582
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -257.561335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.561335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.561335 (E_RNA)
where:
Base-Base interactions energy: -175.054
where: short stacking energy: -82.098
Base-Backbone interact. energy: -0.285
local terms energy: -82.222878
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -19.676
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: 8
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -253.171519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.171519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.171519 (E_RNA)
where:
Base-Base interactions energy: -163.795
where: short stacking energy: -71.409
Base-Backbone interact. energy: 0.679
local terms energy: -90.055382
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -21.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -216.308685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.308685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.308685 (E_RNA)
where:
Base-Base interactions energy: -141.090
where: short stacking energy: -55.631
Base-Backbone interact. energy: -0.145
local terms energy: -75.073309
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -16.508
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -12.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -94.173712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.173712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.173712 (E_RNA)
where:
Base-Base interactions energy: -38.794
where: short stacking energy: -38.794
Base-Backbone interact. energy: -0.283
local terms energy: -55.096046
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -10.947
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -4.498
tors. eta vs tors. theta energy: -3.911
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: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -97.841344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.841344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.841344 (E_RNA)
where:
Base-Base interactions energy: -39.913
where: short stacking energy: -39.677
Base-Backbone interact. energy: -1.036
local terms energy: -56.892485
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.728
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -92.376588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.376588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.376588 (E_RNA)
where:
Base-Base interactions energy: -35.618
where: short stacking energy: -26.633
Base-Backbone interact. energy: -1.740
local terms energy: -55.019192
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: 4.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -307.112770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.112770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.112770 (E_RNA)
where:
Base-Base interactions energy: -204.211
where: short stacking energy: -88.696
Base-Backbone interact. energy: -0.239
local terms energy: -102.662597
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -18.528
tors. eta vs tors. theta energy: -26.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -303.619007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.619007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.619007 (E_RNA)
where:
Base-Base interactions energy: -212.489
where: short stacking energy: -94.266
Base-Backbone interact. energy: -0.060
local terms energy: -91.069706
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -21.460
flat angles C4'-P-C4' energy: -21.419
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -23.288
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: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -283.483691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.483691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.483691 (E_RNA)
where:
Base-Base interactions energy: -178.304
where: short stacking energy: -89.806
Base-Backbone interact. energy: -0.641
local terms energy: -104.539234
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -21.192
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -27.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -269.685973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.685973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.685973 (E_RNA)
where:
Base-Base interactions energy: -181.891
where: short stacking energy: -89.184
Base-Backbone interact. energy: -0.032
local terms energy: -87.762841
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -9.542
tors. eta vs tors. theta energy: -21.674
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: 4
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -262.489956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.489956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.489956 (E_RNA)
where:
Base-Base interactions energy: -171.382
where: short stacking energy: -84.084
Base-Backbone interact. energy: -0.002
local terms energy: -91.105496
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -25.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -263.625977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.625977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.625977 (E_RNA)
where:
Base-Base interactions energy: -179.359
where: short stacking energy: -75.557
Base-Backbone interact. energy: -0.162
local terms energy: -84.104959
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -18.470
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -22.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -232.106308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.106308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.106308 (E_RNA)
where:
Base-Base interactions energy: -146.078
where: short stacking energy: -65.373
Base-Backbone interact. energy: -1.734
local terms energy: -84.294809
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -19.139
flat angles P-C4'-P energy: -11.383
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: 8, replica: 3
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -110.989556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.989556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.989556 (E_RNA)
where:
Base-Base interactions energy: -37.307
where: short stacking energy: -37.212
Base-Backbone interact. energy: -0.415
local terms energy: -73.267393
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -21.380
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -9.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -94.682052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.682052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.682052 (E_RNA)
where:
Base-Base interactions energy: -29.345
where: short stacking energy: -29.331
Base-Backbone interact. energy: -0.459
local terms energy: -64.877299
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -99.578103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.578103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.578103 (E_RNA)
where:
Base-Base interactions energy: -33.908
where: short stacking energy: -33.908
Base-Backbone interact. energy: -0.204
local terms energy: -65.466342
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -18.652
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -7.582
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: 1, replica: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -309.276857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.276857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.276857 (E_RNA)
where:
Base-Base interactions energy: -207.469
where: short stacking energy: -86.922
Base-Backbone interact. energy: -0.614
local terms energy: -101.193847
where:
bonds (distance) C4'-P energy: -18.766
bonds (distance) P-C4' energy: -20.504
flat angles C4'-P-C4' energy: -21.191
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -24.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -305.134172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.134172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.134172 (E_RNA)
where:
Base-Base interactions energy: -207.349
where: short stacking energy: -86.193
Base-Backbone interact. energy: -0.180
local terms energy: -97.606037
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -21.360
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -278.022954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.022954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.022954 (E_RNA)
where:
Base-Base interactions energy: -183.104
where: short stacking energy: -86.891
Base-Backbone interact. energy: -0.100
local terms energy: -94.819010
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -22.672
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -15.808
tors. eta vs tors. theta energy: -24.160
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: 1
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -274.173950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.173950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.173950 (E_RNA)
where:
Base-Base interactions energy: -175.456
where: short stacking energy: -83.658
Base-Backbone interact. energy: -0.106
local terms energy: -98.611674
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -21.455
flat angles P-C4'-P energy: -14.272
tors. eta vs tors. theta energy: -26.558
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: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -279.562119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.562119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.562119 (E_RNA)
where:
Base-Base interactions energy: -197.976
where: short stacking energy: -82.292
Base-Backbone interact. energy: -0.204
local terms energy: -81.381692
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -13.880
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -260.884760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.884760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.884760 (E_RNA)
where:
Base-Base interactions energy: -177.636
where: short stacking energy: -82.634
Base-Backbone interact. energy: -0.567
local terms energy: -82.682507
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -20.628
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: 7, replica: 9
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -234.571008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.571008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.571008 (E_RNA)
where:
Base-Base interactions energy: -147.204
where: short stacking energy: -57.301
Base-Backbone interact. energy: -0.772
local terms energy: -86.594929
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -19.774
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -13.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -104.942221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.942221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.942221 (E_RNA)
where:
Base-Base interactions energy: -33.810
where: short stacking energy: -28.480
Base-Backbone interact. energy: -0.674
local terms energy: -70.457278
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -16.020
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -4.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -97.854458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.854458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.854458 (E_RNA)
where:
Base-Base interactions energy: -31.881
where: short stacking energy: -31.881
Base-Backbone interact. energy: -0.004
local terms energy: -65.970152
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -5.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -83.378436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.378436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.378436 (E_RNA)
where:
Base-Base interactions energy: -27.053
where: short stacking energy: -17.823
Base-Backbone interact. energy: 0.768
local terms energy: -57.093912
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: 1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -310.139478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.139478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.139478 (E_RNA)
where:
Base-Base interactions energy: -204.592
where: short stacking energy: -91.670
Base-Backbone interact. energy: -0.006
local terms energy: -105.541755
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -23.728
flat angles P-C4'-P energy: -17.965
tors. eta vs tors. theta energy: -27.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -298.732084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.732084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.732084 (E_RNA)
where:
Base-Base interactions energy: -194.918
where: short stacking energy: -79.520
Base-Backbone interact. energy: -0.192
local terms energy: -103.622242
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -21.512
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: -22.530
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: 139
Temperature: 1.000000
Total energy: -279.475486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.475486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.475486 (E_RNA)
where:
Base-Base interactions energy: -178.840
where: short stacking energy: -90.297
Base-Backbone interact. energy: -0.094
local terms energy: -100.540952
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -23.529
flat angles C4'-P-C4' energy: -22.516
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -21.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -283.455655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.455655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.455655 (E_RNA)
where:
Base-Base interactions energy: -196.614
where: short stacking energy: -94.854
Base-Backbone interact. energy: -0.020
local terms energy: -86.821944
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -11.578
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: 5, replica: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -302.836562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.836562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.836562 (E_RNA)
where:
Base-Base interactions energy: -206.926
where: short stacking energy: -85.916
Base-Backbone interact. energy: -0.919
local terms energy: -94.991443
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -23.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -282.321045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.321045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.321045 (E_RNA)
where:
Base-Base interactions energy: -192.957
where: short stacking energy: -82.872
Base-Backbone interact. energy: -1.517
local terms energy: -87.847154
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -15.939
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: 7, replica: 4
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -255.428859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.428859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.428859 (E_RNA)
where:
Base-Base interactions energy: -169.064
where: short stacking energy: -82.397
Base-Backbone interact. energy: -0.018
local terms energy: -86.346796
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -20.239
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -103.858151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.858151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.858151 (E_RNA)
where:
Base-Base interactions energy: -29.458
where: short stacking energy: -29.458
Base-Backbone interact. energy: -0.043
local terms energy: -74.356967
where:
bonds (distance) C4'-P energy: -17.519
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -5.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -91.291869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.291869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.291869 (E_RNA)
where:
Base-Base interactions energy: -33.173
where: short stacking energy: -33.173
Base-Backbone interact. energy: 0.063
local terms energy: -58.181606
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -14.871
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -84.557657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.557657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.557657 (E_RNA)
where:
Base-Base interactions energy: -35.299
where: short stacking energy: -22.779
Base-Backbone interact. energy: -0.247
local terms energy: -49.011715
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -10.548
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: 1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -310.000808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.000808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.000808 (E_RNA)
where:
Base-Base interactions energy: -210.861
where: short stacking energy: -91.492
Base-Backbone interact. energy: -1.276
local terms energy: -97.864389
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -23.338
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: -24.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -292.857833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.857833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.857833 (E_RNA)
where:
Base-Base interactions energy: -201.269
where: short stacking energy: -84.628
Base-Backbone interact. energy: -0.064
local terms energy: -91.525190
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -10.958
tors. eta vs tors. theta energy: -23.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -291.049199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.049199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.049199 (E_RNA)
where:
Base-Base interactions energy: -193.739
where: short stacking energy: -91.845
Base-Backbone interact. energy: -0.148
local terms energy: -97.161574
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -14.596
tors. eta vs tors. theta energy: -28.110
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: 4, replica: 2
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -277.795161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.795161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.795161 (E_RNA)
where:
Base-Base interactions energy: -183.922
where: short stacking energy: -88.836
Base-Backbone interact. energy: -1.140
local terms energy: -92.733866
where:
bonds (distance) C4'-P energy: -19.580
bonds (distance) P-C4' energy: -11.981
flat angles C4'-P-C4' energy: -22.714
flat angles P-C4'-P energy: -11.566
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: 5, replica: 9
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -284.178876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.178876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.178876 (E_RNA)
where:
Base-Base interactions energy: -197.832
where: short stacking energy: -77.225
Base-Backbone interact. energy: -0.155
local terms energy: -86.192198
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -21.507
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -288.517504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.517504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.517504 (E_RNA)
where:
Base-Base interactions energy: -205.555
where: short stacking energy: -85.156
Base-Backbone interact. energy: -0.151
local terms energy: -82.811855
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -14.848
tors. eta vs tors. theta energy: -22.995
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: 7, replica: 4
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -255.115015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.115015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.115015 (E_RNA)
where:
Base-Base interactions energy: -180.957
where: short stacking energy: -75.735
Base-Backbone interact. energy: -0.783
local terms energy: -73.375086
where:
bonds (distance) C4'-P energy: -12.890
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -3.817
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -106.450005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.450005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.450005 (E_RNA)
where:
Base-Base interactions energy: -41.711
where: short stacking energy: -36.545
Base-Backbone interact. energy: -0.300
local terms energy: -64.439430
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -103.807353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.807353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.807353 (E_RNA)
where:
Base-Base interactions energy: -34.376
where: short stacking energy: -33.929
Base-Backbone interact. energy: 0.069
local terms energy: -69.500210
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -21.708
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -7.116
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: 3
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -94.918011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.918011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.918011 (E_RNA)
where:
Base-Base interactions energy: -38.447
where: short stacking energy: -30.717
Base-Backbone interact. energy: -0.212
local terms energy: -56.259114
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -7.063
tors. eta vs tors. theta energy: -1.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -303.597701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.597701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.597701 (E_RNA)
where:
Base-Base interactions energy: -199.905
where: short stacking energy: -88.705
Base-Backbone interact. energy: -3.006
local terms energy: -100.687339
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -21.577
flat angles P-C4'-P energy: -17.665
tors. eta vs tors. theta energy: -23.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -293.531500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.531500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.531500 (E_RNA)
where:
Base-Base interactions energy: -198.742
where: short stacking energy: -89.996
Base-Backbone interact. energy: -0.294
local terms energy: -94.495609
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -21.893
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -22.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -291.753150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.753150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.753150 (E_RNA)
where:
Base-Base interactions energy: -201.510
where: short stacking energy: -77.161
Base-Backbone interact. energy: -0.147
local terms energy: -90.096114
where:
bonds (distance) C4'-P energy: -20.462
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -14.608
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: 4, replica: 9
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -297.499823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.499823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.499823 (E_RNA)
where:
Base-Base interactions energy: -199.800
where: short stacking energy: -86.500
Base-Backbone interact. energy: -0.212
local terms energy: -97.487511
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -21.566
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -24.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -273.999680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.999680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.999680 (E_RNA)
where:
Base-Base interactions energy: -191.215
where: short stacking energy: -89.072
Base-Backbone interact. energy: -0.102
local terms energy: -82.683094
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -24.581
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: 6, replica: 4
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -258.097724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.097724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.097724 (E_RNA)
where:
Base-Base interactions energy: -169.719
where: short stacking energy: -79.024
Base-Backbone interact. energy: 1.051
local terms energy: -89.429890
where:
bonds (distance) C4'-P energy: -22.374
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -21.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -259.642539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.642539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.642539 (E_RNA)
where:
Base-Base interactions energy: -171.862
where: short stacking energy: -90.030
Base-Backbone interact. energy: -0.995
local terms energy: -86.785752
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -15.451
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: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -102.298206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.298206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.298206 (E_RNA)
where:
Base-Base interactions energy: -45.592
where: short stacking energy: -38.557
Base-Backbone interact. energy: -0.421
local terms energy: -56.285284
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -12.845
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -1.268
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: 9, replica: 5
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -99.215201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.215201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.215201 (E_RNA)
where:
Base-Base interactions energy: -39.615
where: short stacking energy: -21.540
Base-Backbone interact. energy: 1.026
local terms energy: -60.626070
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: 5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -108.563110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.563110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.563110 (E_RNA)
where:
Base-Base interactions energy: -45.187
where: short stacking energy: -45.187
Base-Backbone interact. energy: -0.009
local terms energy: -63.366863
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -8.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -308.171094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.171094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.171094 (E_RNA)
where:
Base-Base interactions energy: -206.292
where: short stacking energy: -93.471
Base-Backbone interact. energy: -0.085
local terms energy: -101.794023
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -21.788
flat angles C4'-P-C4' energy: -22.483
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -25.949
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: 142
Temperature: 0.950000
Total energy: -307.646797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.646797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.646797 (E_RNA)
where:
Base-Base interactions energy: -216.896
where: short stacking energy: -90.836
Base-Backbone interact. energy: -0.092
local terms energy: -90.658185
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -22.019
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -18.199
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: 3, replica: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -296.354609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.354609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.354609 (E_RNA)
where:
Base-Base interactions energy: -198.583
where: short stacking energy: -82.714
Base-Backbone interact. energy: -2.801
local terms energy: -94.969960
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -22.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -286.239106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.239106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.239106 (E_RNA)
where:
Base-Base interactions energy: -187.163
where: short stacking energy: -93.080
Base-Backbone interact. energy: -0.004
local terms energy: -99.071517
where:
bonds (distance) C4'-P energy: -20.789
bonds (distance) P-C4' energy: -16.521
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -29.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -258.364712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.364712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.364712 (E_RNA)
where:
Base-Base interactions energy: -173.164
where: short stacking energy: -85.228
Base-Backbone interact. energy: -0.094
local terms energy: -85.107353
where:
bonds (distance) C4'-P energy: -19.096
bonds (distance) P-C4' energy: -6.874
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -16.247
tors. eta vs tors. theta energy: -23.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -256.228616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.228616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.228616 (E_RNA)
where:
Base-Base interactions energy: -166.670
where: short stacking energy: -68.760
Base-Backbone interact. energy: -1.404
local terms energy: -88.154304
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -19.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -257.180166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.180166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.180166 (E_RNA)
where:
Base-Base interactions energy: -167.631
where: short stacking energy: -67.232
Base-Backbone interact. energy: -0.777
local terms energy: -88.772415
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -23.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -112.248480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.248480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.248480 (E_RNA)
where:
Base-Base interactions energy: -55.993
where: short stacking energy: -34.352
Base-Backbone interact. energy: -0.107
local terms energy: -56.148283
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -5.792
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: -5.626
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: 3
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -95.092546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.092546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.092546 (E_RNA)
where:
Base-Base interactions energy: -38.634
where: short stacking energy: -38.634
Base-Backbone interact. energy: -0.177
local terms energy: -56.282069
where:
bonds (distance) C4'-P energy: -17.058
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -8.423
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -102.801984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.801984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.801984 (E_RNA)
where:
Base-Base interactions energy: -46.435
where: short stacking energy: -29.769
Base-Backbone interact. energy: 0.446
local terms energy: -56.812445
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: 0.396
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: 1, replica: 8
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -305.120613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.120613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.120613 (E_RNA)
where:
Base-Base interactions energy: -204.389
where: short stacking energy: -94.970
Base-Backbone interact. energy: -0.570
local terms energy: -100.161111
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -19.645
flat angles P-C4'-P energy: -16.837
tors. eta vs tors. theta energy: -26.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -307.131678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.131678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.131678 (E_RNA)
where:
Base-Base interactions energy: -215.334
where: short stacking energy: -82.295
Base-Backbone interact. energy: -1.025
local terms energy: -90.773106
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -18.975
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -19.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -304.329360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.329360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.329360 (E_RNA)
where:
Base-Base interactions energy: -217.565
where: short stacking energy: -93.569
Base-Backbone interact. energy: 1.033
local terms energy: -87.797498
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -10.037
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: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -275.618779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.618779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.618779 (E_RNA)
where:
Base-Base interactions energy: -179.854
where: short stacking energy: -78.646
Base-Backbone interact. energy: -0.115
local terms energy: -95.649886
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -25.270
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: 143
Temperature: 1.100000
Total energy: -276.057616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.057616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.057616 (E_RNA)
where:
Base-Base interactions energy: -199.028
where: short stacking energy: -76.876
Base-Backbone interact. energy: -0.106
local terms energy: -76.923793
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -283.473207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.473207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.473207 (E_RNA)
where:
Base-Base interactions energy: -188.795
where: short stacking energy: -96.559
Base-Backbone interact. energy: -0.672
local terms energy: -94.006243
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -27.263
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: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -262.830498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.830498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.830498 (E_RNA)
where:
Base-Base interactions energy: -169.438
where: short stacking energy: -75.888
Base-Backbone interact. energy: -0.137
local terms energy: -93.256066
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -18.657
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -26.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -108.007177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.007177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.007177 (E_RNA)
where:
Base-Base interactions energy: -41.251
where: short stacking energy: -35.468
Base-Backbone interact. energy: -0.276
local terms energy: -66.480075
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -7.116
tors. eta vs tors. theta energy: -11.153
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: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -105.453957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.453957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.453957 (E_RNA)
where:
Base-Base interactions energy: -40.079
where: short stacking energy: -40.079
Base-Backbone interact. energy: -0.015
local terms energy: -65.359692
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -6.989
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: 10, replica: 5
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -118.536079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.536079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.536079 (E_RNA)
where:
Base-Base interactions energy: -61.571
where: short stacking energy: -31.295
Base-Backbone interact. energy: -0.863
local terms energy: -56.102194
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -20.095
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: 1.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -309.732251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.732251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.732251 (E_RNA)
where:
Base-Base interactions energy: -216.045
where: short stacking energy: -87.878
Base-Backbone interact. energy: 0.038
local terms energy: -93.725084
where:
bonds (distance) C4'-P energy: -19.307
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -20.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -305.117098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.117098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.117098 (E_RNA)
where:
Base-Base interactions energy: -211.379
where: short stacking energy: -90.109
Base-Backbone interact. energy: -0.053
local terms energy: -93.684931
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -19.109
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -26.491
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: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -296.592464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.592464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.592464 (E_RNA)
where:
Base-Base interactions energy: -207.630
where: short stacking energy: -93.814
Base-Backbone interact. energy: 0.643
local terms energy: -89.604659
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -22.204
flat angles P-C4'-P energy: -3.914
tors. eta vs tors. theta energy: -27.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -285.637361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.637361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.637361 (E_RNA)
where:
Base-Base interactions energy: -186.200
where: short stacking energy: -87.019
Base-Backbone interact. energy: -0.561
local terms energy: -98.876044
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -17.880
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -23.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -278.141797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.141797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.141797 (E_RNA)
where:
Base-Base interactions energy: -185.814
where: short stacking energy: -83.355
Base-Backbone interact. energy: -0.088
local terms energy: -92.240125
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -11.018
tors. eta vs tors. theta energy: -21.676
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: 1
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -285.960798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.960798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.960798 (E_RNA)
where:
Base-Base interactions energy: -197.539
where: short stacking energy: -80.569
Base-Backbone interact. energy: -1.064
local terms energy: -87.358167
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -18.742
flat angles C4'-P-C4' energy: -21.764
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -249.262680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.262680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.262680 (E_RNA)
where:
Base-Base interactions energy: -164.733
where: short stacking energy: -78.877
Base-Backbone interact. energy: -1.719
local terms energy: -82.811526
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -16.944
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -22.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -101.816048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.816048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.816048 (E_RNA)
where:
Base-Base interactions energy: -36.926
where: short stacking energy: -37.301
Base-Backbone interact. energy: -0.088
local terms energy: -64.801808
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -5.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -105.660522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.660522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.660522 (E_RNA)
where:
Base-Base interactions energy: -62.857
where: short stacking energy: -32.288
Base-Backbone interact. energy: -0.611
local terms energy: -42.191731
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: 5.595
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: 3
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -95.258804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.258804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.258804 (E_RNA)
where:
Base-Base interactions energy: -39.328
where: short stacking energy: -33.783
Base-Backbone interact. energy: -0.184
local terms energy: -55.746093
where:
bonds (distance) C4'-P energy: -9.376
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -5.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -306.751957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.751957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.751957 (E_RNA)
where:
Base-Base interactions energy: -213.108
where: short stacking energy: -88.425
Base-Backbone interact. energy: -0.262
local terms energy: -93.382316
where:
bonds (distance) C4'-P energy: -20.719
bonds (distance) P-C4' energy: -17.258
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -15.367
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: 2, replica: 9
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -297.570794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.570794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.570794 (E_RNA)
where:
Base-Base interactions energy: -200.649
where: short stacking energy: -92.236
Base-Backbone interact. energy: -0.711
local terms energy: -96.210610
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -21.264
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -11.663
tors. eta vs tors. theta energy: -26.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -302.510862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.510862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.510862 (E_RNA)
where:
Base-Base interactions energy: -210.955
where: short stacking energy: -92.278
Base-Backbone interact. energy: -0.207
local terms energy: -91.348467
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -21.503
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -20.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -293.301665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.301665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.301665 (E_RNA)
where:
Base-Base interactions energy: -198.414
where: short stacking energy: -85.475
Base-Backbone interact. energy: -0.009
local terms energy: -94.879058
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -22.274
flat angles P-C4'-P energy: -13.190
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: 5, replica: 4
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -270.319719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.319719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.319719 (E_RNA)
where:
Base-Base interactions energy: -186.087
where: short stacking energy: -80.672
Base-Backbone interact. energy: -0.308
local terms energy: -83.925617
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -259.860343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.860343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.860343 (E_RNA)
where:
Base-Base interactions energy: -171.571
where: short stacking energy: -81.625
Base-Backbone interact. energy: -0.014
local terms energy: -88.274667
where:
bonds (distance) C4'-P energy: -12.539
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -17.211
tors. eta vs tors. theta energy: -21.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -258.812347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.812347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.812347 (E_RNA)
where:
Base-Base interactions energy: -171.993
where: short stacking energy: -81.880
Base-Backbone interact. energy: -0.021
local terms energy: -86.798138
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -18.723
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -22.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -107.173275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.173275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.173275 (E_RNA)
where:
Base-Base interactions energy: -47.833
where: short stacking energy: -25.168
Base-Backbone interact. energy: -1.059
local terms energy: -58.281853
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -3.721
tors. eta vs tors. theta energy: 2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -117.815035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.815035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.815035 (E_RNA)
where:
Base-Base interactions energy: -66.597
where: short stacking energy: -36.487
Base-Backbone interact. energy: -0.362
local terms energy: -50.856915
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -18.534
flat angles C4'-P-C4' energy: -7.462
flat angles P-C4'-P energy: -4.934
tors. eta vs tors. theta energy: -2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -91.181844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.181844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.181844 (E_RNA)
where:
Base-Base interactions energy: -30.003
where: short stacking energy: -24.065
Base-Backbone interact. energy: 0.259
local terms energy: -61.437817
where:
bonds (distance) C4'-P energy: -20.914
bonds (distance) P-C4' energy: -14.841
flat angles C4'-P-C4' energy: -14.568
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: 0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -309.607210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.607210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.607210 (E_RNA)
where:
Base-Base interactions energy: -221.238
where: short stacking energy: -94.505
Base-Backbone interact. energy: -0.011
local terms energy: -88.357615
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -23.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -301.544155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.544155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.544155 (E_RNA)
where:
Base-Base interactions energy: -203.123
where: short stacking energy: -83.570
Base-Backbone interact. energy: -0.672
local terms energy: -97.749565
where:
bonds (distance) C4'-P energy: -21.370
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -19.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -290.451257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.451257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.451257 (E_RNA)
where:
Base-Base interactions energy: -193.484
where: short stacking energy: -87.720
Base-Backbone interact. energy: -0.796
local terms energy: -96.170810
where:
bonds (distance) C4'-P energy: -22.127
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -17.512
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -24.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -296.512961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.512961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.512961 (E_RNA)
where:
Base-Base interactions energy: -192.621
where: short stacking energy: -85.119
Base-Backbone interact. energy: 0.786
local terms energy: -104.678424
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -22.469
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -15.164
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: 5, replica: 2
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -274.684787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.684787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.684787 (E_RNA)
where:
Base-Base interactions energy: -176.538
where: short stacking energy: -86.783
Base-Backbone interact. energy: -0.325
local terms energy: -97.821954
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -13.576
tors. eta vs tors. theta energy: -27.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -261.506364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.506364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.506364 (E_RNA)
where:
Base-Base interactions energy: -166.813
where: short stacking energy: -79.109
Base-Backbone interact. energy: -0.304
local terms energy: -94.389235
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -18.740
flat angles C4'-P-C4' energy: -20.450
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -22.995
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: 7, replica: 1
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -263.044127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.044127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.044127 (E_RNA)
where:
Base-Base interactions energy: -175.032
where: short stacking energy: -86.930
Base-Backbone interact. energy: 1.560
local terms energy: -89.572415
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -11.792
tors. eta vs tors. theta energy: -30.871
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: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -105.865835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.865835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.865835 (E_RNA)
where:
Base-Base interactions energy: -51.320
where: short stacking energy: -43.535
Base-Backbone interact. energy: -1.089
local terms energy: -53.456860
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -103.313571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.313571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.313571 (E_RNA)
where:
Base-Base interactions energy: -45.208
where: short stacking energy: -41.933
Base-Backbone interact. energy: 0.040
local terms energy: -58.145028
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -18.317
flat angles C4'-P-C4' energy: -10.262
flat angles P-C4'-P energy: -7.316
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: 10, replica: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -91.593644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.593644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.593644 (E_RNA)
where:
Base-Base interactions energy: -40.888
where: short stacking energy: -24.555
Base-Backbone interact. energy: -0.311
local terms energy: -50.394691
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: 2.097
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: 9
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -310.021418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.021418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.021418 (E_RNA)
where:
Base-Base interactions energy: -213.474
where: short stacking energy: -96.194
Base-Backbone interact. energy: -2.199
local terms energy: -94.348812
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -15.323
tors. eta vs tors. theta energy: -25.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -304.044388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.044388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.044388 (E_RNA)
where:
Base-Base interactions energy: -208.145
where: short stacking energy: -88.380
Base-Backbone interact. energy: -0.082
local terms energy: -95.816718
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -20.728
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -25.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -301.008467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.008467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.008467 (E_RNA)
where:
Base-Base interactions energy: -204.892
where: short stacking energy: -82.011
Base-Backbone interact. energy: -0.594
local terms energy: -95.522259
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -18.794
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -24.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -272.599472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.599472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.599472 (E_RNA)
where:
Base-Base interactions energy: -179.262
where: short stacking energy: -67.886
Base-Backbone interact. energy: -0.055
local terms energy: -93.282428
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -13.827
tors. eta vs tors. theta energy: -23.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -261.221891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.221891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.221891 (E_RNA)
where:
Base-Base interactions energy: -162.669
where: short stacking energy: -72.014
Base-Backbone interact. energy: -0.042
local terms energy: -98.511599
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -20.220
flat angles P-C4'-P energy: -18.334
tors. eta vs tors. theta energy: -20.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -258.289322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.289322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.289322 (E_RNA)
where:
Base-Base interactions energy: -173.860
where: short stacking energy: -78.619
Base-Backbone interact. energy: -2.454
local terms energy: -81.975108
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -253.119982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.119982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.119982 (E_RNA)
where:
Base-Base interactions energy: -168.493
where: short stacking energy: -77.161
Base-Backbone interact. energy: 0.002
local terms energy: -84.629419
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -22.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -89.262002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.262002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.262002 (E_RNA)
where:
Base-Base interactions energy: -33.234
where: short stacking energy: -26.403
Base-Backbone interact. energy: 1.226
local terms energy: -57.253482
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: 5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -97.631395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.631395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.631395 (E_RNA)
where:
Base-Base interactions energy: -41.519
where: short stacking energy: -32.657
Base-Backbone interact. energy: -0.382
local terms energy: -55.730951
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -11.590
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -3.185
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: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -102.999210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.999210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.999210 (E_RNA)
where:
Base-Base interactions energy: -44.271
where: short stacking energy: -32.430
Base-Backbone interact. energy: -0.214
local terms energy: -58.514651
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -10.817
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -13.550
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: 1, replica: 10
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -307.529750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.529750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.529750 (E_RNA)
where:
Base-Base interactions energy: -212.267
where: short stacking energy: -85.372
Base-Backbone interact. energy: -0.098
local terms energy: -95.163912
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -22.499
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -16.189
tors. eta vs tors. theta energy: -20.418
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: 9
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -311.084550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.084550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.084550 (E_RNA)
where:
Base-Base interactions energy: -215.683
where: short stacking energy: -95.609
Base-Backbone interact. energy: 0.684
local terms energy: -96.085577
where:
bonds (distance) C4'-P energy: -20.603
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -21.975
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -24.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -302.600024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.600024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.600024 (E_RNA)
where:
Base-Base interactions energy: -210.698
where: short stacking energy: -84.155
Base-Backbone interact. energy: -0.575
local terms energy: -91.327084
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -16.446
tors. eta vs tors. theta energy: -18.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -282.932091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.932091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.932091 (E_RNA)
where:
Base-Base interactions energy: -191.996
where: short stacking energy: -83.524
Base-Backbone interact. energy: -2.745
local terms energy: -88.191151
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -23.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -267.802557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.802557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.802557 (E_RNA)
where:
Base-Base interactions energy: -184.046
where: short stacking energy: -83.043
Base-Backbone interact. energy: -0.823
local terms energy: -82.933882
where:
bonds (distance) C4'-P energy: -18.958
bonds (distance) P-C4' energy: -15.712
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -11.644
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: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -268.015103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.015103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.015103 (E_RNA)
where:
Base-Base interactions energy: -180.262
where: short stacking energy: -74.929
Base-Backbone interact. energy: -0.488
local terms energy: -87.264504
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -17.915
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: 7, replica: 4
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -248.945421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.945421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.945421 (E_RNA)
where:
Base-Base interactions energy: -172.259
where: short stacking energy: -74.110
Base-Backbone interact. energy: -0.007
local terms energy: -76.679415
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -21.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -103.800991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.800991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.800991 (E_RNA)
where:
Base-Base interactions energy: -37.705
where: short stacking energy: -33.183
Base-Backbone interact. energy: 0.201
local terms energy: -66.297383
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -12.876
tors. eta vs tors. theta energy: -6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -87.165793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.165793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.165793 (E_RNA)
where:
Base-Base interactions energy: -35.265
where: short stacking energy: -31.253
Base-Backbone interact. energy: -0.420
local terms energy: -51.480625
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: 2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -100.195457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.195457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.195457 (E_RNA)
where:
Base-Base interactions energy: -35.197
where: short stacking energy: -33.863
Base-Backbone interact. energy: -0.061
local terms energy: -64.937156
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -21.008
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -0.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -305.284157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.284157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.284157 (E_RNA)
where:
Base-Base interactions energy: -210.423
where: short stacking energy: -88.918
Base-Backbone interact. energy: -2.007
local terms energy: -92.854134
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -24.325
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: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -307.877511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.877511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.877511 (E_RNA)
where:
Base-Base interactions energy: -215.551
where: short stacking energy: -87.478
Base-Backbone interact. energy: 0.818
local terms energy: -93.144707
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -23.188
flat angles P-C4'-P energy: -16.482
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: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -310.682281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.682281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.682281 (E_RNA)
where:
Base-Base interactions energy: -219.942
where: short stacking energy: -86.495
Base-Backbone interact. energy: -0.023
local terms energy: -90.717117
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -25.221
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: 1
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -268.680244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.680244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.680244 (E_RNA)
where:
Base-Base interactions energy: -179.436
where: short stacking energy: -82.351
Base-Backbone interact. energy: -0.195
local terms energy: -89.049481
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -22.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -281.286925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.286925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.286925 (E_RNA)
where:
Base-Base interactions energy: -190.776
where: short stacking energy: -95.625
Base-Backbone interact. energy: -0.059
local terms energy: -90.451682
where:
bonds (distance) C4'-P energy: -13.627
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -15.444
tors. eta vs tors. theta energy: -26.718
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: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -247.190175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.190175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.190175 (E_RNA)
where:
Base-Base interactions energy: -161.934
where: short stacking energy: -68.431
Base-Backbone interact. energy: -0.018
local terms energy: -85.237750
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -18.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -260.894968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.894968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.894968 (E_RNA)
where:
Base-Base interactions energy: -171.733
where: short stacking energy: -77.476
Base-Backbone interact. energy: -0.214
local terms energy: -88.948270
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -21.285
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -14.341
tors. eta vs tors. theta energy: -20.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -112.325080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.325080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.325080 (E_RNA)
where:
Base-Base interactions energy: -61.538
where: short stacking energy: -48.840
Base-Backbone interact. energy: -0.048
local terms energy: -50.739702
where:
bonds (distance) C4'-P energy: -12.673
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -1.324
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -123.995600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.995600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.995600 (E_RNA)
where:
Base-Base interactions energy: -61.921
where: short stacking energy: -45.171
Base-Backbone interact. energy: -0.358
local terms energy: -61.715735
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -21.053
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -3.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -89.720678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.720678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.720678 (E_RNA)
where:
Base-Base interactions energy: -45.989
where: short stacking energy: -35.994
Base-Backbone interact. energy: -0.296
local terms energy: -43.435885
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -13.891
flat angles C4'-P-C4' energy: -6.844
flat angles P-C4'-P energy: -7.615
tors. eta vs tors. theta energy: -2.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -310.301066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.301066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.301066 (E_RNA)
where:
Base-Base interactions energy: -210.472
where: short stacking energy: -85.185
Base-Backbone interact. energy: -0.275
local terms energy: -99.553528
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -22.810
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -16.515
tors. eta vs tors. theta energy: -22.886
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: 2, replica: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -309.095378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.095378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.095378 (E_RNA)
where:
Base-Base interactions energy: -199.829
where: short stacking energy: -90.094
Base-Backbone interact. energy: -1.764
local terms energy: -107.502166
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -27.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -299.771522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.771522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.771522 (E_RNA)
where:
Base-Base interactions energy: -201.754
where: short stacking energy: -89.902
Base-Backbone interact. energy: -0.092
local terms energy: -97.925975
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -20.861
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -25.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -281.416802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.416802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.416802 (E_RNA)
where:
Base-Base interactions energy: -192.376
where: short stacking energy: -76.469
Base-Backbone interact. energy: -0.390
local terms energy: -88.651170
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -14.979
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: 5, replica: 2
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -267.185338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.185338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.185338 (E_RNA)
where:
Base-Base interactions energy: -174.317
where: short stacking energy: -92.012
Base-Backbone interact. energy: -0.181
local terms energy: -92.687164
where:
bonds (distance) C4'-P energy: -18.605
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -28.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -262.696815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.696815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.696815 (E_RNA)
where:
Base-Base interactions energy: -174.210
where: short stacking energy: -83.977
Base-Backbone interact. energy: -0.002
local terms energy: -88.484471
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -24.905
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: 150
Temperature: 1.200000
Total energy: -267.608199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.608199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.608199 (E_RNA)
where:
Base-Base interactions energy: -182.946
where: short stacking energy: -89.040
Base-Backbone interact. energy: -0.038
local terms energy: -84.624979
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -22.173
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: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -146.181957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.181957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.181957 (E_RNA)
where:
Base-Base interactions energy: -82.320
where: short stacking energy: -35.018
Base-Backbone interact. energy: -0.726
local terms energy: -63.136009
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -126.430380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.430380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.430380 (E_RNA)
where:
Base-Base interactions energy: -71.426
where: short stacking energy: -45.801
Base-Backbone interact. energy: -0.229
local terms energy: -54.775722
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -9.797
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -6.701
tors. eta vs tors. theta energy: -9.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -91.979861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.979861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.979861 (E_RNA)
where:
Base-Base interactions energy: -36.890
where: short stacking energy: -35.997
Base-Backbone interact. energy: -0.256
local terms energy: -54.833730
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -10.778
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -306.344664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.344664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.344664 (E_RNA)
where:
Base-Base interactions energy: -215.120
where: short stacking energy: -83.458
Base-Backbone interact. energy: 0.402
local terms energy: -91.626484
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -23.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -301.274106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.274106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.274106 (E_RNA)
where:
Base-Base interactions energy: -204.045
where: short stacking energy: -86.098
Base-Backbone interact. energy: -0.001
local terms energy: -97.228236
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -22.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -303.848419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.848419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.848419 (E_RNA)
where:
Base-Base interactions energy: -203.108
where: short stacking energy: -90.738
Base-Backbone interact. energy: -0.124
local terms energy: -100.616743
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -21.077
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -23.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -285.936827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.936827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.936827 (E_RNA)
where:
Base-Base interactions energy: -197.035
where: short stacking energy: -75.586
Base-Backbone interact. energy: -0.162
local terms energy: -88.739650
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -17.444
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -15.403
tors. eta vs tors. theta energy: -24.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -277.324995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.324995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.324995 (E_RNA)
where:
Base-Base interactions energy: -181.909
where: short stacking energy: -89.915
Base-Backbone interact. energy: -0.119
local terms energy: -95.296667
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -16.643
flat angles P-C4'-P energy: -15.932
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: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -270.668765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.668765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.668765 (E_RNA)
where:
Base-Base interactions energy: -179.471
where: short stacking energy: -75.516
Base-Backbone interact. energy: -0.861
local terms energy: -90.336686
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -11.913
tors. eta vs tors. theta energy: -21.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -256.630038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.630038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.630038 (E_RNA)
where:
Base-Base interactions energy: -178.129
where: short stacking energy: -73.071
Base-Backbone interact. energy: 0.024
local terms energy: -78.524948
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -18.320
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: 151
Temperature: 1.250000
Total energy: -184.892405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.892405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.892405 (E_RNA)
where:
Base-Base interactions energy: -120.993
where: short stacking energy: -49.932
Base-Backbone interact. energy: -0.318
local terms energy: -63.582055
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -5.499
tors. eta vs tors. theta energy: -5.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -143.100135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.100135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.100135 (E_RNA)
where:
Base-Base interactions energy: -86.315
where: short stacking energy: -38.510
Base-Backbone interact. energy: -0.373
local terms energy: -56.412900
where:
bonds (distance) C4'-P energy: -9.566
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -84.093675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.093675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.093675 (E_RNA)
where:
Base-Base interactions energy: -25.209
where: short stacking energy: -25.209
Base-Backbone interact. energy: -0.114
local terms energy: -58.770722
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -13.895
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -299.616005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.616005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.616005 (E_RNA)
where:
Base-Base interactions energy: -208.314
where: short stacking energy: -85.440
Base-Backbone interact. energy: -2.561
local terms energy: -88.740488
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -12.988
flat angles C4'-P-C4' energy: -19.417
flat angles P-C4'-P energy: -14.855
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: 2, replica: 9
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -305.836204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.836204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.836204 (E_RNA)
where:
Base-Base interactions energy: -204.817
where: short stacking energy: -90.011
Base-Backbone interact. energy: -0.046
local terms energy: -100.973158
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -21.806
flat angles P-C4'-P energy: -13.721
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: 3, replica: 2
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -293.728672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.728672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.728672 (E_RNA)
where:
Base-Base interactions energy: -204.623
where: short stacking energy: -88.638
Base-Backbone interact. energy: -0.631
local terms energy: -88.474674
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -10.056
tors. eta vs tors. theta energy: -24.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -288.065138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.065138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.065138 (E_RNA)
where:
Base-Base interactions energy: -185.420
where: short stacking energy: -85.716
Base-Backbone interact. energy: -0.002
local terms energy: -102.644066
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -22.543
flat angles P-C4'-P energy: -15.799
tors. eta vs tors. theta energy: -27.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -277.021893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.021893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.021893 (E_RNA)
where:
Base-Base interactions energy: -184.246
where: short stacking energy: -84.306
Base-Backbone interact. energy: -0.002
local terms energy: -92.773834
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -24.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -268.494309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.494309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.494309 (E_RNA)
where:
Base-Base interactions energy: -172.613
where: short stacking energy: -86.442
Base-Backbone interact. energy: -0.005
local terms energy: -95.876177
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -24.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -256.290069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.290069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.290069 (E_RNA)
where:
Base-Base interactions energy: -176.390
where: short stacking energy: -81.364
Base-Backbone interact. energy: -0.113
local terms energy: -79.787435
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -22.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -184.668155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.668155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.668155 (E_RNA)
where:
Base-Base interactions energy: -112.532
where: short stacking energy: -53.706
Base-Backbone interact. energy: -1.097
local terms energy: -71.039727
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -15.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -91.326603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.326603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.326603 (E_RNA)
where:
Base-Base interactions energy: -32.907
where: short stacking energy: -32.907
Base-Backbone interact. energy: -0.100
local terms energy: -58.319369
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -7.510
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: 10, replica: 5
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -88.199766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.199766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.199766 (E_RNA)
where:
Base-Base interactions energy: -39.559
where: short stacking energy: -27.103
Base-Backbone interact. energy: 0.112
local terms energy: -48.753003
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -11.823
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: -0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -307.718895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.718895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.718895 (E_RNA)
where:
Base-Base interactions energy: -211.282
where: short stacking energy: -92.495
Base-Backbone interact. energy: -0.026
local terms energy: -96.410826
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -20.711
flat angles P-C4'-P energy: -15.756
tors. eta vs tors. theta energy: -22.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -291.650948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.650948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.650948 (E_RNA)
where:
Base-Base interactions energy: -193.513
where: short stacking energy: -92.157
Base-Backbone interact. energy: -0.265
local terms energy: -97.872639
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -16.074
tors. eta vs tors. theta energy: -24.672
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: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -289.656197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.656197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.656197 (E_RNA)
where:
Base-Base interactions energy: -203.240
where: short stacking energy: -87.391
Base-Backbone interact. energy: -0.345
local terms energy: -86.071466
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -20.118
flat angles C4'-P-C4' energy: -18.862
flat angles P-C4'-P energy: -11.613
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: 4, replica: 10
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -287.359360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.359360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.359360 (E_RNA)
where:
Base-Base interactions energy: -188.943
where: short stacking energy: -91.453
Base-Backbone interact. energy: -0.996
local terms energy: -97.420707
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -26.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -266.035957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.035957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.035957 (E_RNA)
where:
Base-Base interactions energy: -178.079
where: short stacking energy: -86.330
Base-Backbone interact. energy: -0.265
local terms energy: -87.691940
where:
bonds (distance) C4'-P energy: -18.562
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -23.960
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: 8
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -271.368788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.368788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.368788 (E_RNA)
where:
Base-Base interactions energy: -184.034
where: short stacking energy: -90.723
Base-Backbone interact. energy: -0.010
local terms energy: -87.324567
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -26.150
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: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -251.160015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.160015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.160015 (E_RNA)
where:
Base-Base interactions energy: -164.420
where: short stacking energy: -77.955
Base-Backbone interact. energy: 0.816
local terms energy: -87.555566
where:
bonds (distance) C4'-P energy: -17.853
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -13.745
tors. eta vs tors. theta energy: -23.053
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: 3
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -195.145952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.145952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.145952 (E_RNA)
where:
Base-Base interactions energy: -115.957
where: short stacking energy: -64.242
Base-Backbone interact. energy: -0.098
local terms energy: -79.091208
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -12.514
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: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -104.011674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.011674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.011674 (E_RNA)
where:
Base-Base interactions energy: -41.975
where: short stacking energy: -41.975
Base-Backbone interact. energy: -0.554
local terms energy: -61.482348
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -90.172002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.172002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.172002 (E_RNA)
where:
Base-Base interactions energy: -33.886
where: short stacking energy: -33.669
Base-Backbone interact. energy: -0.145
local terms energy: -56.141032
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -20.124
flat angles P-C4'-P energy: -4.212
tors. eta vs tors. theta energy: 0.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -304.492797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.492797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.492797 (E_RNA)
where:
Base-Base interactions energy: -210.366
where: short stacking energy: -89.872
Base-Backbone interact. energy: 0.362
local terms energy: -94.488990
where:
bonds (distance) C4'-P energy: -17.208
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -23.060
flat angles P-C4'-P energy: -12.942
tors. eta vs tors. theta energy: -22.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -307.541173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.541173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.541173 (E_RNA)
where:
Base-Base interactions energy: -217.243
where: short stacking energy: -87.140
Base-Backbone interact. energy: -0.291
local terms energy: -90.007835
where:
bonds (distance) C4'-P energy: -19.908
bonds (distance) P-C4' energy: -22.493
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -20.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -288.879621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.879621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.879621 (E_RNA)
where:
Base-Base interactions energy: -192.284
where: short stacking energy: -77.214
Base-Backbone interact. energy: -0.135
local terms energy: -96.460493
where:
bonds (distance) C4'-P energy: -20.552
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -21.503
flat angles P-C4'-P energy: -13.174
tors. eta vs tors. theta energy: -22.620
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: 154
Temperature: 1.050000
Total energy: -286.567813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.567813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.567813 (E_RNA)
where:
Base-Base interactions energy: -203.458
where: short stacking energy: -83.781
Base-Backbone interact. energy: -0.151
local terms energy: -82.959593
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -6.680
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: 5, replica: 8
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -270.812874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.812874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.812874 (E_RNA)
where:
Base-Base interactions energy: -178.497
where: short stacking energy: -85.782
Base-Backbone interact. energy: -0.236
local terms energy: -92.079249
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -21.553
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -24.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -263.665197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.665197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.665197 (E_RNA)
where:
Base-Base interactions energy: -172.192
where: short stacking energy: -63.985
Base-Backbone interact. energy: -0.311
local terms energy: -91.162664
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -15.677
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -18.277
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: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -256.433724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.433724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.433724 (E_RNA)
where:
Base-Base interactions energy: -167.859
where: short stacking energy: -73.992
Base-Backbone interact. energy: -0.009
local terms energy: -88.565733
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -23.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -183.845852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.845852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.845852 (E_RNA)
where:
Base-Base interactions energy: -112.937
where: short stacking energy: -53.901
Base-Backbone interact. energy: -0.305
local terms energy: -70.604317
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -23.047
flat angles C4'-P-C4' energy: -15.340
flat angles P-C4'-P energy: -8.162
tors. eta vs tors. theta energy: -9.414
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: 5
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -115.023763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.023763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.023763 (E_RNA)
where:
Base-Base interactions energy: -46.398
where: short stacking energy: -45.902
Base-Backbone interact. energy: -0.010
local terms energy: -68.616019
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -9.427
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: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -93.300510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.300510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.300510 (E_RNA)
where:
Base-Base interactions energy: -39.982
where: short stacking energy: -41.322
Base-Backbone interact. energy: -0.365
local terms energy: -52.953555
where:
bonds (distance) C4'-P energy: -12.759
bonds (distance) P-C4' energy: -22.337
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -2.235
tors. eta vs tors. theta energy: -2.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -305.485912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.485912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.485912 (E_RNA)
where:
Base-Base interactions energy: -213.513
where: short stacking energy: -85.981
Base-Backbone interact. energy: -0.161
local terms energy: -91.812242
where:
bonds (distance) C4'-P energy: -21.527
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -22.253
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -22.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -303.318377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.318377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.318377 (E_RNA)
where:
Base-Base interactions energy: -199.574
where: short stacking energy: -84.792
Base-Backbone interact. energy: -0.059
local terms energy: -103.684845
where:
bonds (distance) C4'-P energy: -17.998
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -22.341
flat angles P-C4'-P energy: -15.598
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: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -300.788267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.788267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.788267 (E_RNA)
where:
Base-Base interactions energy: -216.020
where: short stacking energy: -87.086
Base-Backbone interact. energy: 0.275
local terms energy: -85.042994
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -15.469
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: 4, replica: 9
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -287.869922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.869922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.869922 (E_RNA)
where:
Base-Base interactions energy: -200.482
where: short stacking energy: -87.080
Base-Backbone interact. energy: -0.248
local terms energy: -87.139642
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -267.728868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.728868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.728868 (E_RNA)
where:
Base-Base interactions energy: -178.340
where: short stacking energy: -77.790
Base-Backbone interact. energy: 0.636
local terms energy: -90.024731
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -21.815
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: 155
Temperature: 1.150000
Total energy: -246.316954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.316954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.316954 (E_RNA)
where:
Base-Base interactions energy: -168.021
where: short stacking energy: -62.872
Base-Backbone interact. energy: 1.050
local terms energy: -79.346648
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -19.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -252.508272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.508272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.508272 (E_RNA)
where:
Base-Base interactions energy: -160.773
where: short stacking energy: -74.657
Base-Backbone interact. energy: 0.285
local terms energy: -92.019787
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -21.229
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -19.024
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: 3
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -186.211178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.211178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.211178 (E_RNA)
where:
Base-Base interactions energy: -111.506
where: short stacking energy: -58.416
Base-Backbone interact. energy: -0.465
local terms energy: -74.240071
where:
bonds (distance) C4'-P energy: -19.063
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -15.118
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: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -105.740495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.740495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.740495 (E_RNA)
where:
Base-Base interactions energy: -44.856
where: short stacking energy: -42.528
Base-Backbone interact. energy: -0.029
local terms energy: -60.856116
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -9.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -95.836999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.836999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.836999 (E_RNA)
where:
Base-Base interactions energy: -39.454
where: short stacking energy: -34.081
Base-Backbone interact. energy: -0.179
local terms energy: -56.203881
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -6.096
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -309.427985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.427985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.427985 (E_RNA)
where:
Base-Base interactions energy: -213.279
where: short stacking energy: -101.047
Base-Backbone interact. energy: -0.509
local terms energy: -95.639770
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -24.811
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: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -302.220714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.220714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.220714 (E_RNA)
where:
Base-Base interactions energy: -212.536
where: short stacking energy: -78.758
Base-Backbone interact. energy: -0.218
local terms energy: -89.467042
where:
bonds (distance) C4'-P energy: -19.591
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -21.322
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -22.944
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: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -290.648165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.648165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.648165 (E_RNA)
where:
Base-Base interactions energy: -202.497
where: short stacking energy: -80.918
Base-Backbone interact. energy: -0.003
local terms energy: -88.148387
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -6.028
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: 4, replica: 7
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -292.922905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.922905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.922905 (E_RNA)
where:
Base-Base interactions energy: -209.897
where: short stacking energy: -81.927
Base-Backbone interact. energy: -0.254
local terms energy: -82.772599
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -20.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -256.328221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.328221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.328221 (E_RNA)
where:
Base-Base interactions energy: -164.101
where: short stacking energy: -79.209
Base-Backbone interact. energy: 0.135
local terms energy: -92.362850
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -22.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -256.191171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.191171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.191171 (E_RNA)
where:
Base-Base interactions energy: -164.671
where: short stacking energy: -75.469
Base-Backbone interact. energy: -0.064
local terms energy: -91.456539
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -18.699
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -20.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -254.718156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.718156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.718156 (E_RNA)
where:
Base-Base interactions energy: -162.459
where: short stacking energy: -82.076
Base-Backbone interact. energy: -0.004
local terms energy: -92.255401
where:
bonds (distance) C4'-P energy: -20.115
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -23.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -189.220460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.220460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.220460 (E_RNA)
where:
Base-Base interactions energy: -108.938
where: short stacking energy: -60.206
Base-Backbone interact. energy: -0.374
local terms energy: -79.908580
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -12.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -113.298888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.298888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.298888 (E_RNA)
where:
Base-Base interactions energy: -42.703
where: short stacking energy: -42.195
Base-Backbone interact. energy: -0.079
local terms energy: -70.516990
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -5.487
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: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -97.126520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.126520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.126520 (E_RNA)
where:
Base-Base interactions energy: -41.383
where: short stacking energy: -40.675
Base-Backbone interact. energy: -0.337
local terms energy: -55.405769
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -12.229
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -5.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -310.734096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.734096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.734096 (E_RNA)
where:
Base-Base interactions energy: -211.415
where: short stacking energy: -95.317
Base-Backbone interact. energy: -0.612
local terms energy: -98.706255
where:
bonds (distance) C4'-P energy: -22.089
bonds (distance) P-C4' energy: -17.100
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -25.502
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: 9
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -299.787567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.787567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.787567 (E_RNA)
where:
Base-Base interactions energy: -204.673
where: short stacking energy: -87.546
Base-Backbone interact. energy: -0.002
local terms energy: -95.113264
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -25.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -267.176376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.176376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.176376 (E_RNA)
where:
Base-Base interactions energy: -186.317
where: short stacking energy: -89.390
Base-Backbone interact. energy: -0.726
local terms energy: -80.133333
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -19.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -285.426949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.426949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.426949 (E_RNA)
where:
Base-Base interactions energy: -192.250
where: short stacking energy: -86.403
Base-Backbone interact. energy: -0.115
local terms energy: -93.062413
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -23.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -283.072156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.072156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.072156 (E_RNA)
where:
Base-Base interactions energy: -198.910
where: short stacking energy: -70.874
Base-Backbone interact. energy: -0.287
local terms energy: -83.875605
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -12.189
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: 6, replica: 1
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -261.269191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.269191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.269191 (E_RNA)
where:
Base-Base interactions energy: -169.900
where: short stacking energy: -91.482
Base-Backbone interact. energy: -0.046
local terms energy: -91.323323
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -14.079
flat angles C4'-P-C4' energy: -21.067
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -25.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -246.861309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.861309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.861309 (E_RNA)
where:
Base-Base interactions energy: -169.436
where: short stacking energy: -75.799
Base-Backbone interact. energy: -0.163
local terms energy: -77.261848
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -6.228
tors. eta vs tors. theta energy: -23.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -209.740834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.740834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.740834 (E_RNA)
where:
Base-Base interactions energy: -140.548
where: short stacking energy: -70.673
Base-Backbone interact. energy: -0.103
local terms energy: -69.089504
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -15.210
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -15.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -98.849949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.849949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.849949 (E_RNA)
where:
Base-Base interactions energy: -45.459
where: short stacking energy: -27.571
Base-Backbone interact. energy: 0.463
local terms energy: -53.854249
where:
bonds (distance) C4'-P energy: -12.924
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -92.344943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.344943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.344943 (E_RNA)
where:
Base-Base interactions energy: -30.995
where: short stacking energy: -30.911
Base-Backbone interact. energy: -0.148
local terms energy: -61.202221
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: 3.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -312.018654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.018654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.018654 (E_RNA)
where:
Base-Base interactions energy: -213.586
where: short stacking energy: -96.728
Base-Backbone interact. energy: -0.215
local terms energy: -98.217723
where:
bonds (distance) C4'-P energy: -19.311
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -25.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -298.874279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.874279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.874279 (E_RNA)
where:
Base-Base interactions energy: -206.425
where: short stacking energy: -90.629
Base-Backbone interact. energy: -0.136
local terms energy: -92.313138
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -19.197
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -25.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -277.864224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.864224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.864224 (E_RNA)
where:
Base-Base interactions energy: -182.350
where: short stacking energy: -83.315
Base-Backbone interact. energy: -0.166
local terms energy: -95.348483
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -24.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -278.002911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.002911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.002911 (E_RNA)
where:
Base-Base interactions energy: -180.717
where: short stacking energy: -87.233
Base-Backbone interact. energy: 0.095
local terms energy: -97.380635
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -22.279
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -24.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -271.320153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.320153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.320153 (E_RNA)
where:
Base-Base interactions energy: -178.627
where: short stacking energy: -87.322
Base-Backbone interact. energy: -0.039
local terms energy: -92.654515
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -21.039
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -281.967126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.967126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.967126 (E_RNA)
where:
Base-Base interactions energy: -190.228
where: short stacking energy: -80.534
Base-Backbone interact. energy: -0.069
local terms energy: -91.669846
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -20.557
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -24.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -197.050640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.050640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.050640 (E_RNA)
where:
Base-Base interactions energy: -134.246
where: short stacking energy: -47.478
Base-Backbone interact. energy: -0.819
local terms energy: -61.985215
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -7.935
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -246.367715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.367715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.367715 (E_RNA)
where:
Base-Base interactions energy: -173.027
where: short stacking energy: -74.574
Base-Backbone interact. energy: -0.629
local terms energy: -72.712483
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -8.851
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: 9, replica: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -109.312299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.312299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.312299 (E_RNA)
where:
Base-Base interactions energy: -52.752
where: short stacking energy: -40.820
Base-Backbone interact. energy: -0.499
local terms energy: -56.061005
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -3.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -90.136137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.136137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.136137 (E_RNA)
where:
Base-Base interactions energy: -28.062
where: short stacking energy: -14.980
Base-Backbone interact. energy: -0.265
local terms energy: -61.809341
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -19.428
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -3.168
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: 9
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -312.322865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.322865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.322865 (E_RNA)
where:
Base-Base interactions energy: -205.085
where: short stacking energy: -84.334
Base-Backbone interact. energy: -0.001
local terms energy: -107.236956
where:
bonds (distance) C4'-P energy: -20.313
bonds (distance) P-C4' energy: -21.288
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -17.595
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: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -286.212268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.212268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.212268 (E_RNA)
where:
Base-Base interactions energy: -190.868
where: short stacking energy: -94.673
Base-Backbone interact. energy: -0.276
local terms energy: -95.068735
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -11.627
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: 3, replica: 10
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -291.131747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.131747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.131747 (E_RNA)
where:
Base-Base interactions energy: -192.877
where: short stacking energy: -89.118
Base-Backbone interact. energy: -0.016
local terms energy: -98.238698
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -18.490
flat angles C4'-P-C4' energy: -21.594
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -23.771
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: 4, replica: 1
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -288.474678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.474678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.474678 (E_RNA)
where:
Base-Base interactions energy: -198.004
where: short stacking energy: -88.612
Base-Backbone interact. energy: -0.267
local terms energy: -90.204000
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -13.988
tors. eta vs tors. theta energy: -23.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -260.534517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.534517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.534517 (E_RNA)
where:
Base-Base interactions energy: -172.655
where: short stacking energy: -84.188
Base-Backbone interact. energy: -0.912
local terms energy: -86.967909
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -6.489
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: 6, replica: 7
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -282.669707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.669707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.669707 (E_RNA)
where:
Base-Base interactions energy: -193.809
where: short stacking energy: -84.952
Base-Backbone interact. energy: -0.084
local terms energy: -88.776555
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -15.067
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -194.561286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.561286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.561286 (E_RNA)
where:
Base-Base interactions energy: -129.248
where: short stacking energy: -53.050
Base-Backbone interact. energy: -0.221
local terms energy: -65.092356
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -254.590921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.590921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.590921 (E_RNA)
where:
Base-Base interactions energy: -170.085
where: short stacking energy: -78.028
Base-Backbone interact. energy: -0.392
local terms energy: -84.113768
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -20.450
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -17.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -99.490234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.490234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.490234 (E_RNA)
where:
Base-Base interactions energy: -32.778
where: short stacking energy: -29.280
Base-Backbone interact. energy: 0.036
local terms energy: -66.748265
where:
bonds (distance) C4'-P energy: -18.329
bonds (distance) P-C4' energy: -16.348
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -8.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -105.576095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.576095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.576095 (E_RNA)
where:
Base-Base interactions energy: -49.089
where: short stacking energy: -22.890
Base-Backbone interact. energy: 0.738
local terms energy: -57.224978
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -310.321422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.321422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.321422 (E_RNA)
where:
Base-Base interactions energy: -207.744
where: short stacking energy: -90.864
Base-Backbone interact. energy: -0.058
local terms energy: -102.519716
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -21.281
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -27.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -278.388629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.388629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.388629 (E_RNA)
where:
Base-Base interactions energy: -176.153
where: short stacking energy: -85.955
Base-Backbone interact. energy: 2.652
local terms energy: -104.887625
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -22.134
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -27.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -299.838600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.838600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.838600 (E_RNA)
where:
Base-Base interactions energy: -206.930
where: short stacking energy: -76.213
Base-Backbone interact. energy: -0.191
local terms energy: -92.718456
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -21.158
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -295.380879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.380879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.380879 (E_RNA)
where:
Base-Base interactions energy: -204.086
where: short stacking energy: -93.140
Base-Backbone interact. energy: -0.255
local terms energy: -91.039650
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -23.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -278.358880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.358880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.358880 (E_RNA)
where:
Base-Base interactions energy: -189.477
where: short stacking energy: -79.940
Base-Backbone interact. energy: -0.103
local terms energy: -88.779032
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -20.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -256.663154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.663154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.663154 (E_RNA)
where:
Base-Base interactions energy: -169.600
where: short stacking energy: -74.881
Base-Backbone interact. energy: -0.292
local terms energy: -86.770935
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -21.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -251.088899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.088899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.088899 (E_RNA)
where:
Base-Base interactions energy: -159.449
where: short stacking energy: -73.082
Base-Backbone interact. energy: -0.067
local terms energy: -91.572787
where:
bonds (distance) C4'-P energy: -16.980
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -17.971
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -25.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -174.293031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.293031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.293031 (E_RNA)
where:
Base-Base interactions energy: -105.270
where: short stacking energy: -44.670
Base-Backbone interact. energy: 1.397
local terms energy: -70.420149
where:
bonds (distance) C4'-P energy: -17.349
bonds (distance) P-C4' energy: -15.309
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -4.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -98.780414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.780414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.780414 (E_RNA)
where:
Base-Base interactions energy: -57.551
where: short stacking energy: -20.623
Base-Backbone interact. energy: 0.676
local terms energy: -41.905282
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -6.642
flat angles P-C4'-P energy: -4.798
tors. eta vs tors. theta energy: 1.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -88.171028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.171028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.171028 (E_RNA)
where:
Base-Base interactions energy: -32.419
where: short stacking energy: -32.419
Base-Backbone interact. energy: -0.034
local terms energy: -55.717794
where:
bonds (distance) C4'-P energy: -17.071
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -3.754
tors. eta vs tors. theta energy: 0.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -305.405262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.405262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.405262 (E_RNA)
where:
Base-Base interactions energy: -210.956
where: short stacking energy: -95.660
Base-Backbone interact. energy: -0.195
local terms energy: -94.254323
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -15.333
tors. eta vs tors. theta energy: -23.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -291.689220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.689220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.689220 (E_RNA)
where:
Base-Base interactions energy: -193.978
where: short stacking energy: -88.266
Base-Backbone interact. energy: 0.730
local terms energy: -98.441175
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -21.827
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -26.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -284.660522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.660522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.660522 (E_RNA)
where:
Base-Base interactions energy: -187.873
where: short stacking energy: -89.015
Base-Backbone interact. energy: -0.685
local terms energy: -96.102560
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -22.275
flat angles P-C4'-P energy: -14.348
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: 4, replica: 7
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -291.221716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.221716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.221716 (E_RNA)
where:
Base-Base interactions energy: -199.046
where: short stacking energy: -86.574
Base-Backbone interact. energy: -0.060
local terms energy: -92.116369
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -22.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -275.823161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.823161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.823161 (E_RNA)
where:
Base-Base interactions energy: -177.515
where: short stacking energy: -85.249
Base-Backbone interact. energy: -0.094
local terms energy: -98.214408
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -27.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -263.619630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.619630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.619630 (E_RNA)
where:
Base-Base interactions energy: -173.812
where: short stacking energy: -72.862
Base-Backbone interact. energy: -0.146
local terms energy: -89.661661
where:
bonds (distance) C4'-P energy: -19.559
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -20.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -234.512214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.512214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.512214 (E_RNA)
where:
Base-Base interactions energy: -158.569
where: short stacking energy: -68.045
Base-Backbone interact. energy: 1.722
local terms energy: -77.664450
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -152.264215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.264215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.264215 (E_RNA)
where:
Base-Base interactions energy: -99.358
where: short stacking energy: -51.398
Base-Backbone interact. energy: 5.395
local terms energy: -58.301241
where:
bonds (distance) C4'-P energy: -11.645
bonds (distance) P-C4' energy: -16.689
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -8.613
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: 9, replica: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -98.742401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.742401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.742401 (E_RNA)
where:
Base-Base interactions energy: -32.344
where: short stacking energy: -31.985
Base-Backbone interact. energy: 0.050
local terms energy: -66.448162
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -22.804
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -1.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -92.130669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.130669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.130669 (E_RNA)
where:
Base-Base interactions energy: -32.734
where: short stacking energy: -32.734
Base-Backbone interact. energy: -0.383
local terms energy: -59.014518
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -3.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -296.703908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.703908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.703908 (E_RNA)
where:
Base-Base interactions energy: -196.542
where: short stacking energy: -101.022
Base-Backbone interact. energy: -0.037
local terms energy: -100.124793
where:
bonds (distance) C4'-P energy: -20.235
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -27.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -306.997509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.997509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.997509 (E_RNA)
where:
Base-Base interactions energy: -208.221
where: short stacking energy: -93.450
Base-Backbone interact. energy: 0.076
local terms energy: -98.852907
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -21.134
flat angles C4'-P-C4' energy: -20.324
flat angles P-C4'-P energy: -15.188
tors. eta vs tors. theta energy: -24.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -289.512977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.512977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.512977 (E_RNA)
where:
Base-Base interactions energy: -197.248
where: short stacking energy: -88.967
Base-Backbone interact. energy: -0.002
local terms energy: -92.262755
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -20.711
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -25.214
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: 4, replica: 7
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -298.295791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.295791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.295791 (E_RNA)
where:
Base-Base interactions energy: -203.426
where: short stacking energy: -83.728
Base-Backbone interact. energy: -0.239
local terms energy: -94.630045
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -19.003
flat angles C4'-P-C4' energy: -19.863
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -22.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -268.998245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.998245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.998245 (E_RNA)
where:
Base-Base interactions energy: -182.385
where: short stacking energy: -84.201
Base-Backbone interact. energy: -0.707
local terms energy: -85.906192
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -20.786
flat angles P-C4'-P energy: -14.827
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: 6, replica: 8
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -269.331218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.331218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.331218 (E_RNA)
where:
Base-Base interactions energy: -179.900
where: short stacking energy: -85.030
Base-Backbone interact. energy: -0.215
local terms energy: -89.215675
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -21.112
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -23.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -246.051340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.051340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.051340 (E_RNA)
where:
Base-Base interactions energy: -155.493
where: short stacking energy: -75.894
Base-Backbone interact. energy: -0.100
local terms energy: -90.458134
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -22.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -174.066230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.066230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.066230 (E_RNA)
where:
Base-Base interactions energy: -105.139
where: short stacking energy: -51.826
Base-Backbone interact. energy: -0.020
local terms energy: -68.907652
where:
bonds (distance) C4'-P energy: -17.982
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -4.597
tors. eta vs tors. theta energy: -14.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -101.239078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.239078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.239078 (E_RNA)
where:
Base-Base interactions energy: -35.209
where: short stacking energy: -35.209
Base-Backbone interact. energy: -0.428
local terms energy: -65.602422
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -9.890
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -7.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -96.439318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.439318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.439318 (E_RNA)
where:
Base-Base interactions energy: -39.444
where: short stacking energy: -37.687
Base-Backbone interact. energy: -0.019
local terms energy: -56.976462
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -8.254
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -6.625
tors. eta vs tors. theta energy: -10.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -313.079999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.079999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.079999 (E_RNA)
where:
Base-Base interactions energy: -205.204
where: short stacking energy: -92.649
Base-Backbone interact. energy: 1.257
local terms energy: -109.133438
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -24.471
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: -29.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -291.718531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.718531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.718531 (E_RNA)
where:
Base-Base interactions energy: -184.747
where: short stacking energy: -88.689
Base-Backbone interact. energy: -0.218
local terms energy: -106.752945
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -23.794
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -16.371
tors. eta vs tors. theta energy: -25.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -301.329083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.329083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.329083 (E_RNA)
where:
Base-Base interactions energy: -207.090
where: short stacking energy: -83.904
Base-Backbone interact. energy: -0.007
local terms energy: -94.231629
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -295.508494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.508494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.508494 (E_RNA)
where:
Base-Base interactions energy: -195.725
where: short stacking energy: -99.580
Base-Backbone interact. energy: -0.008
local terms energy: -99.775725
where:
bonds (distance) C4'-P energy: -21.340
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -19.966
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -27.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -290.285203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.285203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.285203 (E_RNA)
where:
Base-Base interactions energy: -199.380
where: short stacking energy: -83.240
Base-Backbone interact. energy: -0.018
local terms energy: -90.887319
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -19.320
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -24.004
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: 8
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -257.807736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.807736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.807736 (E_RNA)
where:
Base-Base interactions energy: -161.844
where: short stacking energy: -75.069
Base-Backbone interact. energy: -0.001
local terms energy: -95.963643
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -21.832
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -253.855085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.855085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.855085 (E_RNA)
where:
Base-Base interactions energy: -173.995
where: short stacking energy: -78.114
Base-Backbone interact. energy: -0.077
local terms energy: -79.783154
where:
bonds (distance) C4'-P energy: -7.722
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -21.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -165.108325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.108325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.108325 (E_RNA)
where:
Base-Base interactions energy: -95.214
where: short stacking energy: -56.162
Base-Backbone interact. energy: 3.597
local terms energy: -73.491452
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -6.125
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: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -96.520726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.520726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.520726 (E_RNA)
where:
Base-Base interactions energy: -36.532
where: short stacking energy: -28.517
Base-Backbone interact. energy: -0.438
local terms energy: -59.550700
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -98.203057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.203057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.203057 (E_RNA)
where:
Base-Base interactions energy: -37.812
where: short stacking energy: -37.812
Base-Backbone interact. energy: -0.184
local terms energy: -60.207263
where:
bonds (distance) C4'-P energy: -20.466
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -4.444
tors. eta vs tors. theta energy: -6.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -304.487673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.487673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.487673 (E_RNA)
where:
Base-Base interactions energy: -212.512
where: short stacking energy: -88.987
Base-Backbone interact. energy: -0.050
local terms energy: -91.925692
where:
bonds (distance) C4'-P energy: -17.928
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -24.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -280.494644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.494644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.494644 (E_RNA)
where:
Base-Base interactions energy: -184.888
where: short stacking energy: -87.950
Base-Backbone interact. energy: -0.215
local terms energy: -95.392056
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -23.660
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: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -301.478514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.478514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.478514 (E_RNA)
where:
Base-Base interactions energy: -207.293
where: short stacking energy: -89.198
Base-Backbone interact. energy: -0.035
local terms energy: -94.151119
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -24.487
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: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -274.701357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.701357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.701357 (E_RNA)
where:
Base-Base interactions energy: -182.509
where: short stacking energy: -87.368
Base-Backbone interact. energy: -0.039
local terms energy: -92.153723
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -25.264
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: 8
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -272.554338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.554338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.554338 (E_RNA)
where:
Base-Base interactions energy: -183.076
where: short stacking energy: -85.219
Base-Backbone interact. energy: -0.046
local terms energy: -89.431849
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -22.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -275.990618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.990618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.990618 (E_RNA)
where:
Base-Base interactions energy: -198.815
where: short stacking energy: -73.531
Base-Backbone interact. energy: -0.267
local terms energy: -76.907682
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -15.438
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -268.835233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.835233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.835233 (E_RNA)
where:
Base-Base interactions energy: -181.437
where: short stacking energy: -81.232
Base-Backbone interact. energy: 3.099
local terms energy: -90.497059
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -24.955
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: 8, replica: 3
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -183.442282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.442282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.442282 (E_RNA)
where:
Base-Base interactions energy: -115.429
where: short stacking energy: -55.707
Base-Backbone interact. energy: -1.544
local terms energy: -66.469689
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -12.323
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -8.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -108.718439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.718439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.718439 (E_RNA)
where:
Base-Base interactions energy: -51.238
where: short stacking energy: -46.918
Base-Backbone interact. energy: -0.129
local terms energy: -57.351444
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -4.116
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: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -95.985614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.985614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.985614 (E_RNA)
where:
Base-Base interactions energy: -32.942
where: short stacking energy: -30.760
Base-Backbone interact. energy: -0.226
local terms energy: -62.817658
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -4.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -303.031166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.031166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.031166 (E_RNA)
where:
Base-Base interactions energy: -214.627
where: short stacking energy: -99.265
Base-Backbone interact. energy: 0.151
local terms energy: -88.555111
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -21.798
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -27.060
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: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -306.278838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.278838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.278838 (E_RNA)
where:
Base-Base interactions energy: -205.991
where: short stacking energy: -86.538
Base-Backbone interact. energy: -0.558
local terms energy: -99.730119
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -22.170
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: -23.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -285.991058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.991058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.991058 (E_RNA)
where:
Base-Base interactions energy: -181.242
where: short stacking energy: -89.499
Base-Backbone interact. energy: -0.003
local terms energy: -104.746202
where:
bonds (distance) C4'-P energy: -20.516
bonds (distance) P-C4' energy: -22.067
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -28.396
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: 8
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -290.837754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.837754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.837754 (E_RNA)
where:
Base-Base interactions energy: -192.664
where: short stacking energy: -89.315
Base-Backbone interact. energy: -0.527
local terms energy: -97.646804
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -23.009
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -26.416
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: 165
Temperature: 1.100000
Total energy: -261.663459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.663459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.663459 (E_RNA)
where:
Base-Base interactions energy: -179.344
where: short stacking energy: -80.488
Base-Backbone interact. energy: -0.159
local terms energy: -82.160329
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -284.191677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.191677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.191677 (E_RNA)
where:
Base-Base interactions energy: -198.561
where: short stacking energy: -95.095
Base-Backbone interact. energy: -0.006
local terms energy: -85.624258
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -26.978
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: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -264.993113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.993113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.993113 (E_RNA)
where:
Base-Base interactions energy: -181.871
where: short stacking energy: -86.155
Base-Backbone interact. energy: -0.634
local terms energy: -82.488191
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -10.277
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: 8, replica: 3
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -180.246498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.246498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.246498 (E_RNA)
where:
Base-Base interactions energy: -109.663
where: short stacking energy: -49.038
Base-Backbone interact. energy: -1.119
local terms energy: -69.464249
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -8.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -102.184614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.184614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.184614 (E_RNA)
where:
Base-Base interactions energy: -46.120
where: short stacking energy: -28.282
Base-Backbone interact. energy: 0.074
local terms energy: -56.138428
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -100.506982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.506982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.506982 (E_RNA)
where:
Base-Base interactions energy: -40.649
where: short stacking energy: -35.360
Base-Backbone interact. energy: -0.239
local terms energy: -59.618236
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -8.220
tors. eta vs tors. theta energy: -8.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -288.867057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.867057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.867057 (E_RNA)
where:
Base-Base interactions energy: -189.008
where: short stacking energy: -81.168
Base-Backbone interact. energy: -1.196
local terms energy: -98.663120
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -24.997
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: 2, replica: 9
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -307.072374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.072374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.072374 (E_RNA)
where:
Base-Base interactions energy: -207.075
where: short stacking energy: -91.049
Base-Backbone interact. energy: -0.026
local terms energy: -99.971373
where:
bonds (distance) C4'-P energy: -22.056
bonds (distance) P-C4' energy: -18.614
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -25.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -291.035787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.035787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.035787 (E_RNA)
where:
Base-Base interactions energy: -192.456
where: short stacking energy: -87.677
Base-Backbone interact. energy: -1.299
local terms energy: -97.281238
where:
bonds (distance) C4'-P energy: -19.075
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -12.539
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: 4, replica: 2
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -279.244064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.244064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.244064 (E_RNA)
where:
Base-Base interactions energy: -187.952
where: short stacking energy: -87.042
Base-Backbone interact. energy: -0.070
local terms energy: -91.221261
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -19.685
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -25.683
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: 7
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -283.505565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.505565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.505565 (E_RNA)
where:
Base-Base interactions energy: -199.188
where: short stacking energy: -86.020
Base-Backbone interact. energy: -0.074
local terms energy: -84.243105
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -21.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -256.976700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.976700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.976700 (E_RNA)
where:
Base-Base interactions energy: -158.628
where: short stacking energy: -83.927
Base-Backbone interact. energy: -0.135
local terms energy: -98.213666
where:
bonds (distance) C4'-P energy: -22.068
bonds (distance) P-C4' energy: -15.538
flat angles C4'-P-C4' energy: -21.938
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -24.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -264.335173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.335173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.335173 (E_RNA)
where:
Base-Base interactions energy: -181.722
where: short stacking energy: -75.895
Base-Backbone interact. energy: -0.438
local terms energy: -82.175349
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -22.125
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: 3
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -160.548216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.548216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.548216 (E_RNA)
where:
Base-Base interactions energy: -91.132
where: short stacking energy: -57.527
Base-Backbone interact. energy: -0.114
local terms energy: -69.302578
where:
bonds (distance) C4'-P energy: -11.002
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -16.444
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -11.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -107.071911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.071911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.071911 (E_RNA)
where:
Base-Base interactions energy: -40.869
where: short stacking energy: -29.412
Base-Backbone interact. energy: -0.384
local terms energy: -65.818617
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -5.336
tors. eta vs tors. theta energy: -5.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -98.900942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.900942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.900942 (E_RNA)
where:
Base-Base interactions energy: -38.099
where: short stacking energy: -29.595
Base-Backbone interact. energy: 1.312
local terms energy: -62.113208
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -8.205
tors. eta vs tors. theta energy: -8.943
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: 167
Temperature: 0.900000
Total energy: -299.704071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.704071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.704071 (E_RNA)
where:
Base-Base interactions energy: -198.655
where: short stacking energy: -97.824
Base-Backbone interact. energy: 0.887
local terms energy: -101.935583
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -20.984
flat angles P-C4'-P energy: -13.873
tors. eta vs tors. theta energy: -27.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -307.514604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.514604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.514604 (E_RNA)
where:
Base-Base interactions energy: -210.267
where: short stacking energy: -103.536
Base-Backbone interact. energy: -0.032
local terms energy: -97.215463
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -16.121
tors. eta vs tors. theta energy: -26.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -300.875628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.875628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.875628 (E_RNA)
where:
Base-Base interactions energy: -206.532
where: short stacking energy: -86.004
Base-Backbone interact. energy: -0.095
local terms energy: -94.247868
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -19.100
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -24.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -280.696758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.696758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.696758 (E_RNA)
where:
Base-Base interactions energy: -187.001
where: short stacking energy: -89.042
Base-Backbone interact. energy: -0.004
local terms energy: -93.692187
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -24.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -287.169780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.169780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.169780 (E_RNA)
where:
Base-Base interactions energy: -194.923
where: short stacking energy: -86.298
Base-Backbone interact. energy: -0.777
local terms energy: -91.469606
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -270.320096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.320096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.320096 (E_RNA)
where:
Base-Base interactions energy: -186.659
where: short stacking energy: -86.250
Base-Backbone interact. energy: -0.009
local terms energy: -83.652103
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -25.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -252.819575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.819575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.819575 (E_RNA)
where:
Base-Base interactions energy: -161.230
where: short stacking energy: -74.525
Base-Backbone interact. energy: -0.838
local terms energy: -90.751094
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -13.217
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: 8, replica: 3
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -176.148383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.148383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.148383 (E_RNA)
where:
Base-Base interactions energy: -102.003
where: short stacking energy: -57.141
Base-Backbone interact. energy: -0.217
local terms energy: -73.928365
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -10.984
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: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -90.628966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.628966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.628966 (E_RNA)
where:
Base-Base interactions energy: -32.040
where: short stacking energy: -31.284
Base-Backbone interact. energy: -0.272
local terms energy: -58.317102
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -20.212
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -2.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -90.968871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.968871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.968871 (E_RNA)
where:
Base-Base interactions energy: -30.965
where: short stacking energy: -21.265
Base-Backbone interact. energy: 0.234
local terms energy: -60.238017
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -5.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -306.759735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.759735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.759735 (E_RNA)
where:
Base-Base interactions energy: -203.725
where: short stacking energy: -95.602
Base-Backbone interact. energy: -0.006
local terms energy: -103.029123
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -22.731
flat angles C4'-P-C4' energy: -22.282
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -27.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -288.601602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.601602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.601602 (E_RNA)
where:
Base-Base interactions energy: -187.885
where: short stacking energy: -83.419
Base-Backbone interact. energy: -0.012
local terms energy: -100.704616
where:
bonds (distance) C4'-P energy: -21.916
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -21.971
flat angles P-C4'-P energy: -16.146
tors. eta vs tors. theta energy: -24.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -285.044759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.044759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.044759 (E_RNA)
where:
Base-Base interactions energy: -185.564
where: short stacking energy: -84.319
Base-Backbone interact. energy: -0.025
local terms energy: -99.456165
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -25.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -294.429499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.429499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.429499 (E_RNA)
where:
Base-Base interactions energy: -200.596
where: short stacking energy: -82.827
Base-Backbone interact. energy: 1.637
local terms energy: -95.470774
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -21.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -285.427533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.427533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.427533 (E_RNA)
where:
Base-Base interactions energy: -200.129
where: short stacking energy: -86.230
Base-Backbone interact. energy: -0.748
local terms energy: -84.549875
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -11.673
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: 6, replica: 4
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -271.331113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.331113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.331113 (E_RNA)
where:
Base-Base interactions energy: -187.737
where: short stacking energy: -91.092
Base-Backbone interact. energy: -0.033
local terms energy: -83.560764
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -11.236
flat angles C4'-P-C4' energy: -14.280
flat angles P-C4'-P energy: -11.682
tors. eta vs tors. theta energy: -27.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -256.058637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.058637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.058637 (E_RNA)
where:
Base-Base interactions energy: -167.377
where: short stacking energy: -77.286
Base-Backbone interact. energy: -0.634
local terms energy: -88.047516
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -10.118
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: 8, replica: 3
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -175.707881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.707881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.707881 (E_RNA)
where:
Base-Base interactions energy: -103.833
where: short stacking energy: -49.712
Base-Backbone interact. energy: -0.185
local terms energy: -71.690021
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -114.684914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.684914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.684914 (E_RNA)
where:
Base-Base interactions energy: -62.603
where: short stacking energy: -41.857
Base-Backbone interact. energy: -0.387
local terms energy: -51.694846
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -4.671
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -92.644588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.644588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.644588 (E_RNA)
where:
Base-Base interactions energy: -32.990
where: short stacking energy: -30.357
Base-Backbone interact. energy: -0.307
local terms energy: -59.347579
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -10.070
flat angles P-C4'-P energy: -7.374
tors. eta vs tors. theta energy: -4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -315.081720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.081720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.081720 (E_RNA)
where:
Base-Base interactions energy: -217.908
where: short stacking energy: -90.777
Base-Backbone interact. energy: -1.967
local terms energy: -95.206304
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -20.351
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -24.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -282.605397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.605397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.605397 (E_RNA)
where:
Base-Base interactions energy: -188.122
where: short stacking energy: -90.191
Base-Backbone interact. energy: -0.042
local terms energy: -94.441557
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -25.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -297.366085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.366085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.366085 (E_RNA)
where:
Base-Base interactions energy: -204.435
where: short stacking energy: -94.987
Base-Backbone interact. energy: 1.415
local terms energy: -94.345820
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -24.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -293.011012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.011012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.011012 (E_RNA)
where:
Base-Base interactions energy: -201.369
where: short stacking energy: -89.445
Base-Backbone interact. energy: -0.248
local terms energy: -91.393758
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -23.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -298.593756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.593756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.593756 (E_RNA)
where:
Base-Base interactions energy: -205.394
where: short stacking energy: -88.819
Base-Backbone interact. energy: -0.013
local terms energy: -93.186674
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -21.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -269.768723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.768723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.768723 (E_RNA)
where:
Base-Base interactions energy: -178.620
where: short stacking energy: -84.602
Base-Backbone interact. energy: -0.024
local terms energy: -91.125197
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -29.091
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: 7, replica: 1
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -261.200174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.200174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.200174 (E_RNA)
where:
Base-Base interactions energy: -173.298
where: short stacking energy: -85.513
Base-Backbone interact. energy: -0.688
local terms energy: -87.214617
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -26.647
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: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -148.590281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.590281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.590281 (E_RNA)
where:
Base-Base interactions energy: -81.338
where: short stacking energy: -44.718
Base-Backbone interact. energy: -0.110
local terms energy: -67.142368
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -16.705
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -10.649
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: 6
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -132.122992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.122992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.122992 (E_RNA)
where:
Base-Base interactions energy: -77.996
where: short stacking energy: -42.711
Base-Backbone interact. energy: 1.481
local terms energy: -55.607886
where:
bonds (distance) C4'-P energy: -19.381
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -13.151
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: 0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -96.360540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.360540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.360540 (E_RNA)
where:
Base-Base interactions energy: -35.453
where: short stacking energy: -22.567
Base-Backbone interact. energy: -0.762
local terms energy: -60.145874
where:
bonds (distance) C4'-P energy: -20.401
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -10.325
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -1.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -313.956250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.956250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.956250 (E_RNA)
where:
Base-Base interactions energy: -212.786
where: short stacking energy: -94.661
Base-Backbone interact. energy: -0.006
local terms energy: -101.163788
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -20.247
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -27.055
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: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -282.465522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.465522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.465522 (E_RNA)
where:
Base-Base interactions energy: -187.285
where: short stacking energy: -89.409
Base-Backbone interact. energy: -2.584
local terms energy: -92.596545
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -18.666
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -26.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -299.325191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.325191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.325191 (E_RNA)
where:
Base-Base interactions energy: -205.486
where: short stacking energy: -92.658
Base-Backbone interact. energy: -0.022
local terms energy: -93.817207
where:
bonds (distance) C4'-P energy: -18.284
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -20.698
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -23.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -288.762623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.762623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.762623 (E_RNA)
where:
Base-Base interactions energy: -195.474
where: short stacking energy: -83.914
Base-Backbone interact. energy: -0.125
local terms energy: -93.163828
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -20.887
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -19.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -275.680834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.680834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.680834 (E_RNA)
where:
Base-Base interactions energy: -178.095
where: short stacking energy: -85.271
Base-Backbone interact. energy: -0.127
local terms energy: -97.458846
where:
bonds (distance) C4'-P energy: -18.110
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -25.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -270.177490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.177490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.177490 (E_RNA)
where:
Base-Base interactions energy: -180.490
where: short stacking energy: -75.413
Base-Backbone interact. energy: -0.010
local terms energy: -89.676916
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -20.720
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -24.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -258.448968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.448968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.448968 (E_RNA)
where:
Base-Base interactions energy: -178.487
where: short stacking energy: -81.549
Base-Backbone interact. energy: 0.942
local terms energy: -80.903956
where:
bonds (distance) C4'-P energy: -12.846
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -22.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -174.183957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.183957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.183957 (E_RNA)
where:
Base-Base interactions energy: -101.933
where: short stacking energy: -56.880
Base-Backbone interact. energy: -0.720
local terms energy: -71.531012
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -9.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -166.426853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.426853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.426853 (E_RNA)
where:
Base-Base interactions energy: -96.079
where: short stacking energy: -48.719
Base-Backbone interact. energy: -0.258
local terms energy: -70.089262
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -10.691
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -11.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -94.007730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.007730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.007730 (E_RNA)
where:
Base-Base interactions energy: -32.145
where: short stacking energy: -26.977
Base-Backbone interact. energy: -0.964
local terms energy: -60.898852
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -316.488236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.488236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.488236 (E_RNA)
where:
Base-Base interactions energy: -220.897
where: short stacking energy: -96.363
Base-Backbone interact. energy: -0.224
local terms energy: -95.367933
where:
bonds (distance) C4'-P energy: -18.507
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -23.222
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: 10
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -317.286862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.286862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.286862 (E_RNA)
where:
Base-Base interactions energy: -219.850
where: short stacking energy: -99.464
Base-Backbone interact. energy: -0.010
local terms energy: -97.426765
where:
bonds (distance) C4'-P energy: -18.400
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -21.044
flat angles P-C4'-P energy: -15.446
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -285.987084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.987084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.987084 (E_RNA)
where:
Base-Base interactions energy: -187.389
where: short stacking energy: -89.294
Base-Backbone interact. energy: -0.002
local terms energy: -98.596031
where:
bonds (distance) C4'-P energy: -18.148
bonds (distance) P-C4' energy: -21.210
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -15.088
tors. eta vs tors. theta energy: -27.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -297.079375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.079375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.079375 (E_RNA)
where:
Base-Base interactions energy: -217.688
where: short stacking energy: -79.743
Base-Backbone interact. energy: -0.413
local terms energy: -78.978608
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -16.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -281.638648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.638648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.638648 (E_RNA)
where:
Base-Base interactions energy: -186.698
where: short stacking energy: -86.886
Base-Backbone interact. energy: -0.092
local terms energy: -94.848542
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -20.510
flat angles P-C4'-P energy: -16.883
tors. eta vs tors. theta energy: -24.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -247.609445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.609445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.609445 (E_RNA)
where:
Base-Base interactions energy: -171.632
where: short stacking energy: -77.945
Base-Backbone interact. energy: -0.154
local terms energy: -75.823775
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -23.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -283.884108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.884108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.884108 (E_RNA)
where:
Base-Base interactions energy: -188.319
where: short stacking energy: -77.872
Base-Backbone interact. energy: -0.515
local terms energy: -95.050195
where:
bonds (distance) C4'-P energy: -20.269
bonds (distance) P-C4' energy: -21.383
flat angles C4'-P-C4' energy: -17.035
flat angles P-C4'-P energy: -14.544
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: 8, replica: 3
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -169.751543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.751543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.751543 (E_RNA)
where:
Base-Base interactions energy: -95.263
where: short stacking energy: -47.380
Base-Backbone interact. energy: 1.403
local terms energy: -75.891289
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -174.310070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.310070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.310070 (E_RNA)
where:
Base-Base interactions energy: -101.361
where: short stacking energy: -45.394
Base-Backbone interact. energy: -0.149
local terms energy: -72.799983
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -9.907
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: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -95.209757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.209757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.209757 (E_RNA)
where:
Base-Base interactions energy: -34.638
where: short stacking energy: -25.807
Base-Backbone interact. energy: -0.239
local terms energy: -60.333243
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -12.222
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: 10
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -312.394961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.394961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.394961 (E_RNA)
where:
Base-Base interactions energy: -213.013
where: short stacking energy: -92.799
Base-Backbone interact. energy: -0.159
local terms energy: -99.222620
where:
bonds (distance) C4'-P energy: -21.377
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -16.007
tors. eta vs tors. theta energy: -24.207
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: 2, replica: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -307.610692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.610692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.610692 (E_RNA)
where:
Base-Base interactions energy: -215.993
where: short stacking energy: -87.729
Base-Backbone interact. energy: -0.577
local terms energy: -91.040711
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -19.965
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: -26.087
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: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -302.570246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.570246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.570246 (E_RNA)
where:
Base-Base interactions energy: -210.245
where: short stacking energy: -80.956
Base-Backbone interact. energy: -0.229
local terms energy: -92.096578
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -22.383
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -16.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -292.163186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.163186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.163186 (E_RNA)
where:
Base-Base interactions energy: -195.289
where: short stacking energy: -91.658
Base-Backbone interact. energy: -0.374
local terms energy: -96.500574
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -25.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -256.831040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.831040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.831040 (E_RNA)
where:
Base-Base interactions energy: -168.724
where: short stacking energy: -81.882
Base-Backbone interact. energy: -1.243
local terms energy: -86.864671
where:
bonds (distance) C4'-P energy: -11.217
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -23.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -254.820345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.820345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.820345 (E_RNA)
where:
Base-Base interactions energy: -167.946
where: short stacking energy: -81.934
Base-Backbone interact. energy: -0.017
local terms energy: -86.856515
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -19.938
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -22.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -278.090612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.090612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.090612 (E_RNA)
where:
Base-Base interactions energy: -185.750
where: short stacking energy: -80.235
Base-Backbone interact. energy: -0.721
local terms energy: -91.619744
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -20.551
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -21.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -175.913945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.913945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.913945 (E_RNA)
where:
Base-Base interactions energy: -97.607
where: short stacking energy: -50.827
Base-Backbone interact. energy: -0.362
local terms energy: -77.945404
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -21.915
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -12.313
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: 9, replica: 6
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -228.497167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.497167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.497167 (E_RNA)
where:
Base-Base interactions energy: -150.598
where: short stacking energy: -59.373
Base-Backbone interact. energy: 0.039
local terms energy: -77.939109
where:
bonds (distance) C4'-P energy: -14.754
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -17.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -90.840843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.840843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.840843 (E_RNA)
where:
Base-Base interactions energy: -39.173
where: short stacking energy: -33.344
Base-Backbone interact. energy: -0.208
local terms energy: -51.459166
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -6.848
tors. eta vs tors. theta energy: -1.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -292.215827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.215827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.215827 (E_RNA)
where:
Base-Base interactions energy: -201.990
where: short stacking energy: -94.571
Base-Backbone interact. energy: -0.091
local terms energy: -90.134681
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -29.553
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: 7
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -298.989416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.989416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.989416 (E_RNA)
where:
Base-Base interactions energy: -204.559
where: short stacking energy: -80.702
Base-Backbone interact. energy: -1.120
local terms energy: -93.310643
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -22.082
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -18.720
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: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -300.043776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.043776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.043776 (E_RNA)
where:
Base-Base interactions energy: -213.021
where: short stacking energy: -93.595
Base-Backbone interact. energy: -0.029
local terms energy: -86.992960
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -22.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -295.804656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.804656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.804656 (E_RNA)
where:
Base-Base interactions energy: -205.553
where: short stacking energy: -87.262
Base-Backbone interact. energy: -0.780
local terms energy: -89.471659
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -22.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -269.621579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.621579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.621579 (E_RNA)
where:
Base-Base interactions energy: -185.151
where: short stacking energy: -90.046
Base-Backbone interact. energy: 0.259
local terms energy: -84.728942
where:
bonds (distance) C4'-P energy: -17.602
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -10.307
flat angles P-C4'-P energy: -8.691
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: 6, replica: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -259.345041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.345041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.345041 (E_RNA)
where:
Base-Base interactions energy: -186.926
where: short stacking energy: -74.276
Base-Backbone interact. energy: 0.634
local terms energy: -73.053172
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -11.484
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -20.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -255.344653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.344653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.344653 (E_RNA)
where:
Base-Base interactions energy: -163.810
where: short stacking energy: -77.725
Base-Backbone interact. energy: -0.043
local terms energy: -91.491427
where:
bonds (distance) C4'-P energy: -18.086
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -13.179
tors. eta vs tors. theta energy: -24.852
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: 8, replica: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -246.657882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.657882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.657882 (E_RNA)
where:
Base-Base interactions energy: -164.770
where: short stacking energy: -69.777
Base-Backbone interact. energy: -0.074
local terms energy: -81.813700
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -22.772
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -18.695
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: 3
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -184.652046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.652046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.652046 (E_RNA)
where:
Base-Base interactions energy: -120.884
where: short stacking energy: -60.075
Base-Backbone interact. energy: -0.137
local terms energy: -63.631648
where:
bonds (distance) C4'-P energy: -2.941
bonds (distance) P-C4' energy: -12.842
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -118.294574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.294574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.294574 (E_RNA)
where:
Base-Base interactions energy: -51.401
where: short stacking energy: -37.534
Base-Backbone interact. energy: -0.116
local terms energy: -66.777110
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -12.935
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -10.789
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -307.633092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.633092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.633092 (E_RNA)
where:
Base-Base interactions energy: -213.809
where: short stacking energy: -89.590
Base-Backbone interact. energy: -1.704
local terms energy: -92.119585
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -20.416
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -290.343763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.343763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.343763 (E_RNA)
where:
Base-Base interactions energy: -205.704
where: short stacking energy: -87.427
Base-Backbone interact. energy: -0.153
local terms energy: -84.485927
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -13.250
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: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -293.503015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.503015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.503015 (E_RNA)
where:
Base-Base interactions energy: -193.517
where: short stacking energy: -95.376
Base-Backbone interact. energy: -0.029
local terms energy: -99.956555
where:
bonds (distance) C4'-P energy: -19.081
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -26.975
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: 1
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -291.293894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.293894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.293894 (E_RNA)
where:
Base-Base interactions energy: -201.058
where: short stacking energy: -94.011
Base-Backbone interact. energy: -0.023
local terms energy: -90.212822
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -15.429
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: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -282.021430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.021430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.021430 (E_RNA)
where:
Base-Base interactions energy: -192.985
where: short stacking energy: -87.465
Base-Backbone interact. energy: -0.036
local terms energy: -89.000272
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -17.873
tors. eta vs tors. theta energy: -25.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -255.015520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.015520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.015520 (E_RNA)
where:
Base-Base interactions energy: -175.367
where: short stacking energy: -72.046
Base-Backbone interact. energy: -0.745
local terms energy: -78.903785
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -18.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -255.134584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.134584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.134584 (E_RNA)
where:
Base-Base interactions energy: -173.538
where: short stacking energy: -76.891
Base-Backbone interact. energy: -0.353
local terms energy: -81.242909
where:
bonds (distance) C4'-P energy: -13.896
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -20.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -238.853832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.853832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.853832 (E_RNA)
where:
Base-Base interactions energy: -152.689
where: short stacking energy: -71.926
Base-Backbone interact. energy: 0.242
local terms energy: -86.406726
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -181.109239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.109239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.109239 (E_RNA)
where:
Base-Base interactions energy: -117.688
where: short stacking energy: -63.566
Base-Backbone interact. energy: -0.282
local terms energy: -63.138968
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -13.421
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -11.081
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: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -101.473502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.473502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.473502 (E_RNA)
where:
Base-Base interactions energy: -38.745
where: short stacking energy: -29.822
Base-Backbone interact. energy: 0.493
local terms energy: -63.221431
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -315.578118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.578118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.578118 (E_RNA)
where:
Base-Base interactions energy: -221.163
where: short stacking energy: -92.575
Base-Backbone interact. energy: -3.456
local terms energy: -90.959243
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -20.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -296.730410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.730410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.730410 (E_RNA)
where:
Base-Base interactions energy: -214.795
where: short stacking energy: -93.475
Base-Backbone interact. energy: -0.202
local terms energy: -81.733348
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -12.946
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -22.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -290.877254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.877254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.877254 (E_RNA)
where:
Base-Base interactions energy: -200.794
where: short stacking energy: -87.561
Base-Backbone interact. energy: -0.012
local terms energy: -90.071362
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -21.876
flat angles P-C4'-P energy: -10.127
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: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -285.534812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.534812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.534812 (E_RNA)
where:
Base-Base interactions energy: -193.788
where: short stacking energy: -76.180
Base-Backbone interact. energy: 0.622
local terms energy: -92.368320
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -16.442
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: 5, replica: 1
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -267.396264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.396264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.396264 (E_RNA)
where:
Base-Base interactions energy: -181.514
where: short stacking energy: -78.180
Base-Backbone interact. energy: -0.171
local terms energy: -85.711267
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -19.723
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -21.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -273.919629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.919629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.919629 (E_RNA)
where:
Base-Base interactions energy: -181.026
where: short stacking energy: -89.941
Base-Backbone interact. energy: -0.056
local terms energy: -92.838193
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -23.719
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: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -255.482682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.482682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.482682 (E_RNA)
where:
Base-Base interactions energy: -165.808
where: short stacking energy: -86.829
Base-Backbone interact. energy: -1.342
local terms energy: -88.333244
where:
bonds (distance) C4'-P energy: -19.650
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -21.691
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: 4
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -259.623083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.623083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.623083 (E_RNA)
where:
Base-Base interactions energy: -174.264
where: short stacking energy: -80.968
Base-Backbone interact. energy: -1.088
local terms energy: -84.270985
where:
bonds (distance) C4'-P energy: -12.324
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -22.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -172.998453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.998453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.998453 (E_RNA)
where:
Base-Base interactions energy: -101.446
where: short stacking energy: -47.192
Base-Backbone interact. energy: -1.455
local terms energy: -70.097377
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -5.669
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -14.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -99.333286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.333286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.333286 (E_RNA)
where:
Base-Base interactions energy: -31.683
where: short stacking energy: -27.442
Base-Backbone interact. energy: -0.468
local terms energy: -67.183109
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -22.363
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -294.884340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.884340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.884340 (E_RNA)
where:
Base-Base interactions energy: -195.449
where: short stacking energy: -97.008
Base-Backbone interact. energy: -2.373
local terms energy: -97.062019
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -25.538
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: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -302.164387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.164387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.164387 (E_RNA)
where:
Base-Base interactions energy: -206.995
where: short stacking energy: -84.894
Base-Backbone interact. energy: -0.154
local terms energy: -95.015083
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -19.874
flat angles P-C4'-P energy: -15.785
tors. eta vs tors. theta energy: -20.628
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: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -291.152026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.152026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.152026 (E_RNA)
where:
Base-Base interactions energy: -201.056
where: short stacking energy: -81.020
Base-Backbone interact. energy: -0.078
local terms energy: -90.018065
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -21.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -277.175573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.175573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.175573 (E_RNA)
where:
Base-Base interactions energy: -188.612
where: short stacking energy: -76.790
Base-Backbone interact. energy: -0.390
local terms energy: -88.173281
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -20.944
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -21.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -270.160914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.160914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.160914 (E_RNA)
where:
Base-Base interactions energy: -176.017
where: short stacking energy: -80.656
Base-Backbone interact. energy: -0.035
local terms energy: -94.108460
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -21.829
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: -24.492
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: 1
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -250.978884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.978884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.978884 (E_RNA)
where:
Base-Base interactions energy: -172.280
where: short stacking energy: -81.818
Base-Backbone interact. energy: -0.242
local terms energy: -78.456606
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -19.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -266.216446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.216446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.216446 (E_RNA)
where:
Base-Base interactions energy: -173.108
where: short stacking energy: -87.709
Base-Backbone interact. energy: -0.003
local terms energy: -93.105294
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -15.445
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: 4
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -253.531920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.531920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.531920 (E_RNA)
where:
Base-Base interactions energy: -163.758
where: short stacking energy: -74.283
Base-Backbone interact. energy: -1.458
local terms energy: -88.315794
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -14.668
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: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -97.441720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.441720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.441720 (E_RNA)
where:
Base-Base interactions energy: -47.976
where: short stacking energy: -41.585
Base-Backbone interact. energy: -0.293
local terms energy: -49.172026
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -4.104
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: 3
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -137.751384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.751384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.751384 (E_RNA)
where:
Base-Base interactions energy: -65.476
where: short stacking energy: -34.708
Base-Backbone interact. energy: -0.300
local terms energy: -71.975450
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -293.246915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.246915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.246915 (E_RNA)
where:
Base-Base interactions energy: -185.196
where: short stacking energy: -83.469
Base-Backbone interact. energy: -0.021
local terms energy: -108.030028
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -26.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -311.190336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.190336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.190336 (E_RNA)
where:
Base-Base interactions energy: -211.276
where: short stacking energy: -85.950
Base-Backbone interact. energy: -0.236
local terms energy: -99.678474
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -20.177
flat angles C4'-P-C4' energy: -22.821
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -293.936065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.936065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.936065 (E_RNA)
where:
Base-Base interactions energy: -206.487
where: short stacking energy: -76.479
Base-Backbone interact. energy: -0.307
local terms energy: -87.142801
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -23.401
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -14.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -277.286209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.286209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.286209 (E_RNA)
where:
Base-Base interactions energy: -185.749
where: short stacking energy: -83.322
Base-Backbone interact. energy: -0.042
local terms energy: -91.495467
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -11.781
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -15.278
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: 6
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -264.002559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.002559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.002559 (E_RNA)
where:
Base-Base interactions energy: -174.358
where: short stacking energy: -77.114
Base-Backbone interact. energy: -0.143
local terms energy: -89.500922
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -18.034
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -15.401
tors. eta vs tors. theta energy: -22.922
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: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -266.810961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.810961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.810961 (E_RNA)
where:
Base-Base interactions energy: -183.987
where: short stacking energy: -74.101
Base-Backbone interact. energy: 0.413
local terms energy: -83.236558
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -22.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -245.030120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.030120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.030120 (E_RNA)
where:
Base-Base interactions energy: -164.624
where: short stacking energy: -70.668
Base-Backbone interact. energy: -0.519
local terms energy: -79.887215
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -15.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -240.261554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.261554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.261554 (E_RNA)
where:
Base-Base interactions energy: -161.618
where: short stacking energy: -77.791
Base-Backbone interact. energy: -0.132
local terms energy: -78.511646
where:
bonds (distance) C4'-P energy: -11.947
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -11.141
tors. eta vs tors. theta energy: -22.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -111.129743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.129743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.129743 (E_RNA)
where:
Base-Base interactions energy: -47.157
where: short stacking energy: -24.378
Base-Backbone interact. energy: -0.955
local terms energy: -63.018188
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -0.331
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: 3
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -125.432459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.432459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.432459 (E_RNA)
where:
Base-Base interactions energy: -73.198
where: short stacking energy: -38.379
Base-Backbone interact. energy: -0.663
local terms energy: -51.571192
where:
bonds (distance) C4'-P energy: -9.330
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -1.054
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: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -303.891146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.891146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.891146 (E_RNA)
where:
Base-Base interactions energy: -208.741
where: short stacking energy: -89.167
Base-Backbone interact. energy: -0.434
local terms energy: -94.716982
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -21.944
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -13.625
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: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -305.460081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.460081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.460081 (E_RNA)
where:
Base-Base interactions energy: -206.217
where: short stacking energy: -92.228
Base-Backbone interact. energy: -0.008
local terms energy: -99.235537
where:
bonds (distance) C4'-P energy: -21.079
bonds (distance) P-C4' energy: -17.919
flat angles C4'-P-C4' energy: -18.487
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -27.191
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: 9
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -287.564592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.564592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.564592 (E_RNA)
where:
Base-Base interactions energy: -188.376
where: short stacking energy: -79.654
Base-Backbone interact. energy: -0.883
local terms energy: -98.305644
where:
bonds (distance) C4'-P energy: -22.064
bonds (distance) P-C4' energy: -21.645
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -18.550
tors. eta vs tors. theta energy: -21.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -283.245068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.245068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.245068 (E_RNA)
where:
Base-Base interactions energy: -194.509
where: short stacking energy: -91.621
Base-Backbone interact. energy: -0.722
local terms energy: -88.014303
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -26.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -264.691961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.691961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.691961 (E_RNA)
where:
Base-Base interactions energy: -173.550
where: short stacking energy: -89.916
Base-Backbone interact. energy: -0.084
local terms energy: -91.057586
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -12.134
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: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -257.767805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.767805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.767805 (E_RNA)
where:
Base-Base interactions energy: -171.314
where: short stacking energy: -76.532
Base-Backbone interact. energy: -0.167
local terms energy: -86.287107
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -21.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -262.482249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.482249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.482249 (E_RNA)
where:
Base-Base interactions energy: -175.931
where: short stacking energy: -78.134
Base-Backbone interact. energy: -0.491
local terms energy: -86.060505
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -24.123
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: 178
Temperature: 1.250000
Total energy: -261.034014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.034014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.034014 (E_RNA)
where:
Base-Base interactions energy: -175.082
where: short stacking energy: -75.288
Base-Backbone interact. energy: 0.343
local terms energy: -86.295090
where:
bonds (distance) C4'-P energy: -19.196
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -18.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -102.871302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.871302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.871302 (E_RNA)
where:
Base-Base interactions energy: -46.169
where: short stacking energy: -30.849
Base-Backbone interact. energy: -0.151
local terms energy: -56.550542
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -5.061
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: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -91.307741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.307741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.307741 (E_RNA)
where:
Base-Base interactions energy: -39.036
where: short stacking energy: -18.244
Base-Backbone interact. energy: -0.191
local terms energy: -52.080550
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: 1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -306.381602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.381602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.381602 (E_RNA)
where:
Base-Base interactions energy: -210.713
where: short stacking energy: -92.453
Base-Backbone interact. energy: -2.777
local terms energy: -92.891089
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -23.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -310.274357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.274357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.274357 (E_RNA)
where:
Base-Base interactions energy: -213.912
where: short stacking energy: -88.303
Base-Backbone interact. energy: -0.001
local terms energy: -96.361293
where:
bonds (distance) C4'-P energy: -18.661
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -26.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -289.922231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.922231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.922231 (E_RNA)
where:
Base-Base interactions energy: -199.361
where: short stacking energy: -86.856
Base-Backbone interact. energy: -0.007
local terms energy: -90.554736
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -17.027
tors. eta vs tors. theta energy: -24.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -284.121284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.121284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.121284 (E_RNA)
where:
Base-Base interactions energy: -185.858
where: short stacking energy: -92.535
Base-Backbone interact. energy: -0.746
local terms energy: -97.517667
where:
bonds (distance) C4'-P energy: -20.879
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -24.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -258.081711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.081711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.081711 (E_RNA)
where:
Base-Base interactions energy: -167.670
where: short stacking energy: -74.844
Base-Backbone interact. energy: -0.556
local terms energy: -89.856192
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -21.525
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: 6
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -256.797795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.797795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.797795 (E_RNA)
where:
Base-Base interactions energy: -177.642
where: short stacking energy: -83.765
Base-Backbone interact. energy: 0.199
local terms energy: -79.354814
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -23.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -245.258256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.258256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.258256 (E_RNA)
where:
Base-Base interactions energy: -161.162
where: short stacking energy: -75.036
Base-Backbone interact. energy: -0.027
local terms energy: -84.068752
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -8.284
tors. eta vs tors. theta energy: -22.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -258.013247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.013247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.013247 (E_RNA)
where:
Base-Base interactions energy: -174.518
where: short stacking energy: -89.159
Base-Backbone interact. energy: -0.007
local terms energy: -83.487788
where:
bonds (distance) C4'-P energy: -9.523
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -26.092
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: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -111.978204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.978204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.978204 (E_RNA)
where:
Base-Base interactions energy: -33.045
where: short stacking energy: -31.339
Base-Backbone interact. energy: -0.248
local terms energy: -78.684420
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -14.544
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: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -85.936589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.936589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.936589 (E_RNA)
where:
Base-Base interactions energy: -36.194
where: short stacking energy: -28.857
Base-Backbone interact. energy: 0.088
local terms energy: -49.830210
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -8.103
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: 8
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -311.699916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.699916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.699916 (E_RNA)
where:
Base-Base interactions energy: -213.001
where: short stacking energy: -89.076
Base-Backbone interact. energy: -1.673
local terms energy: -97.025907
where:
bonds (distance) C4'-P energy: -19.193
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -14.586
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: 2, replica: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -305.321387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.321387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.321387 (E_RNA)
where:
Base-Base interactions energy: -208.618
where: short stacking energy: -85.573
Base-Backbone interact. energy: -0.192
local terms energy: -96.511994
where:
bonds (distance) C4'-P energy: -21.211
bonds (distance) P-C4' energy: -18.941
flat angles C4'-P-C4' energy: -24.287
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -19.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -299.547351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.547351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.547351 (E_RNA)
where:
Base-Base interactions energy: -202.512
where: short stacking energy: -88.244
Base-Backbone interact. energy: -0.021
local terms energy: -97.014124
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -17.167
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: 4, replica: 10
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -274.125714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.125714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.125714 (E_RNA)
where:
Base-Base interactions energy: -183.819
where: short stacking energy: -81.902
Base-Backbone interact. energy: -0.696
local terms energy: -89.611030
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -267.891079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.891079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.891079 (E_RNA)
where:
Base-Base interactions energy: -182.644
where: short stacking energy: -88.430
Base-Backbone interact. energy: -0.045
local terms energy: -85.201810
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -22.927
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: 180
Temperature: 1.150000
Total energy: -258.221512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.221512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.221512 (E_RNA)
where:
Base-Base interactions energy: -175.520
where: short stacking energy: -74.845
Base-Backbone interact. energy: -0.098
local terms energy: -82.603471
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -250.865292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.865292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.865292 (E_RNA)
where:
Base-Base interactions energy: -164.859
where: short stacking energy: -71.009
Base-Backbone interact. energy: -0.818
local terms energy: -85.188520
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -17.940
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -250.652763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.652763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.652763 (E_RNA)
where:
Base-Base interactions energy: -163.659
where: short stacking energy: -77.129
Base-Backbone interact. energy: -0.045
local terms energy: -86.948650
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -17.803
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -6.837
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: 9, replica: 5
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -96.622946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.622946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.622946 (E_RNA)
where:
Base-Base interactions energy: -34.867
where: short stacking energy: -29.381
Base-Backbone interact. energy: -0.264
local terms energy: -61.491604
where:
bonds (distance) C4'-P energy: -18.661
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -96.460864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.460864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.460864 (E_RNA)
where:
Base-Base interactions energy: -35.616
where: short stacking energy: -35.616
Base-Backbone interact. energy: 0.366
local terms energy: -61.210944
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -5.540
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -307.265988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.265988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.265988 (E_RNA)
where:
Base-Base interactions energy: -212.984
where: short stacking energy: -87.793
Base-Backbone interact. energy: -0.065
local terms energy: -94.216978
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -19.720
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -25.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -313.611674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.611674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.611674 (E_RNA)
where:
Base-Base interactions energy: -210.055
where: short stacking energy: -89.045
Base-Backbone interact. energy: -0.042
local terms energy: -103.514185
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -21.996
flat angles P-C4'-P energy: -16.500
tors. eta vs tors. theta energy: -23.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -304.611695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.611695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.611695 (E_RNA)
where:
Base-Base interactions energy: -205.188
where: short stacking energy: -81.228
Base-Backbone interact. energy: -0.044
local terms energy: -99.379931
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -15.265
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: 4, replica: 2
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -299.727153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.727153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.727153 (E_RNA)
where:
Base-Base interactions energy: -204.007
where: short stacking energy: -83.889
Base-Backbone interact. energy: -0.495
local terms energy: -95.225237
where:
bonds (distance) C4'-P energy: -19.228
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -22.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -281.711437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.711437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.711437 (E_RNA)
where:
Base-Base interactions energy: -193.995
where: short stacking energy: -84.560
Base-Backbone interact. energy: -0.160
local terms energy: -87.555917
where:
bonds (distance) C4'-P energy: -20.386
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -21.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -262.105770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.105770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.105770 (E_RNA)
where:
Base-Base interactions energy: -181.049
where: short stacking energy: -81.519
Base-Backbone interact. energy: -0.483
local terms energy: -80.573417
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -7.780
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: 7, replica: 6
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -241.288204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.288204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.288204 (E_RNA)
where:
Base-Base interactions energy: -163.939
where: short stacking energy: -65.237
Base-Backbone interact. energy: -0.749
local terms energy: -76.600376
where:
bonds (distance) C4'-P energy: -11.327
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -12.343
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: 8, replica: 1
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -238.695973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.695973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.695973 (E_RNA)
where:
Base-Base interactions energy: -155.866
where: short stacking energy: -73.349
Base-Backbone interact. energy: -0.009
local terms energy: -82.821349
where:
bonds (distance) C4'-P energy: -19.638
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -17.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -101.271301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.271301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.271301 (E_RNA)
where:
Base-Base interactions energy: -45.388
where: short stacking energy: -32.365
Base-Backbone interact. energy: -0.650
local terms energy: -55.234025
where:
bonds (distance) C4'-P energy: -21.658
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -8.947
tors. eta vs tors. theta energy: 2.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -88.186149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.186149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.186149 (E_RNA)
where:
Base-Base interactions energy: -28.666
where: short stacking energy: -28.666
Base-Backbone interact. energy: -0.377
local terms energy: -59.142812
where:
bonds (distance) C4'-P energy: -18.600
bonds (distance) P-C4' energy: -20.048
flat angles C4'-P-C4' energy: -12.318
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: 1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -308.863803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.863803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.863803 (E_RNA)
where:
Base-Base interactions energy: -207.196
where: short stacking energy: -85.333
Base-Backbone interact. energy: -0.122
local terms energy: -101.545206
where:
bonds (distance) C4'-P energy: -20.012
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -22.710
flat angles P-C4'-P energy: -17.943
tors. eta vs tors. theta energy: -22.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -301.967445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.967445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.967445 (E_RNA)
where:
Base-Base interactions energy: -215.404
where: short stacking energy: -82.227
Base-Backbone interact. energy: -0.207
local terms energy: -86.356232
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -6.104
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: 2
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -286.938449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.938449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.938449 (E_RNA)
where:
Base-Base interactions energy: -206.169
where: short stacking energy: -84.669
Base-Backbone interact. energy: -0.204
local terms energy: -80.565183
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -293.672430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.672430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.672430 (E_RNA)
where:
Base-Base interactions energy: -207.545
where: short stacking energy: -90.429
Base-Backbone interact. energy: -0.008
local terms energy: -86.119549
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -14.597
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -24.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -270.832987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.832987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.832987 (E_RNA)
where:
Base-Base interactions energy: -178.388
where: short stacking energy: -89.658
Base-Backbone interact. energy: -0.310
local terms energy: -92.135243
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -27.128
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: 6, replica: 10
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -265.311923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.311923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.311923 (E_RNA)
where:
Base-Base interactions energy: -177.021
where: short stacking energy: -82.729
Base-Backbone interact. energy: -0.056
local terms energy: -88.234963
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -13.886
tors. eta vs tors. theta energy: -21.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -252.474311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.474311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.474311 (E_RNA)
where:
Base-Base interactions energy: -175.490
where: short stacking energy: -67.745
Base-Backbone interact. energy: -0.441
local terms energy: -76.542771
where:
bonds (distance) C4'-P energy: -13.324
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -12.291
tors. eta vs tors. theta energy: -14.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -232.208431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.208431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.208431 (E_RNA)
where:
Base-Base interactions energy: -159.891
where: short stacking energy: -68.720
Base-Backbone interact. energy: -0.571
local terms energy: -71.746188
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -14.499
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -100.667961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.667961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.667961 (E_RNA)
where:
Base-Base interactions energy: -38.932
where: short stacking energy: -38.647
Base-Backbone interact. energy: -0.392
local terms energy: -61.344191
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -13.208
tors. eta vs tors. theta energy: -3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -96.968425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.968425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.968425 (E_RNA)
where:
Base-Base interactions energy: -30.039
where: short stacking energy: -29.437
Base-Backbone interact. energy: -0.016
local terms energy: -66.912918
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -12.927
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: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -301.934018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.934018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.934018 (E_RNA)
where:
Base-Base interactions energy: -211.755
where: short stacking energy: -83.033
Base-Backbone interact. energy: -0.331
local terms energy: -89.847569
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -20.873
flat angles P-C4'-P energy: -9.487
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: 2, replica: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -297.294507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.294507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.294507 (E_RNA)
where:
Base-Base interactions energy: -206.156
where: short stacking energy: -86.338
Base-Backbone interact. energy: -0.071
local terms energy: -91.067221
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -23.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -273.713200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.713200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.713200 (E_RNA)
where:
Base-Base interactions energy: -176.945
where: short stacking energy: -85.550
Base-Backbone interact. energy: -0.032
local terms energy: -96.736483
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -15.425
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -27.477
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: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -275.225626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.225626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.225626 (E_RNA)
where:
Base-Base interactions energy: -181.085
where: short stacking energy: -85.900
Base-Backbone interact. energy: -0.144
local terms energy: -93.996814
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -19.765
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -23.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -288.145171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.145171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.145171 (E_RNA)
where:
Base-Base interactions energy: -207.713
where: short stacking energy: -89.393
Base-Backbone interact. energy: -0.093
local terms energy: -80.338662
where:
bonds (distance) C4'-P energy: -7.698
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -267.234300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.234300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.234300 (E_RNA)
where:
Base-Base interactions energy: -178.908
where: short stacking energy: -83.183
Base-Backbone interact. energy: -0.422
local terms energy: -87.904560
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -20.091
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: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -264.416918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.416918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.416918 (E_RNA)
where:
Base-Base interactions energy: -187.850
where: short stacking energy: -75.579
Base-Backbone interact. energy: -0.040
local terms energy: -76.527307
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -10.854
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -17.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -195.676408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.676408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.676408 (E_RNA)
where:
Base-Base interactions energy: -121.871
where: short stacking energy: -52.749
Base-Backbone interact. energy: -0.212
local terms energy: -73.593321
where:
bonds (distance) C4'-P energy: -9.789
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -119.536926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.536926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.536926 (E_RNA)
where:
Base-Base interactions energy: -52.469
where: short stacking energy: -33.931
Base-Backbone interact. energy: -0.244
local terms energy: -66.823862
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -7.047
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: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -94.028388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.028388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.028388 (E_RNA)
where:
Base-Base interactions energy: -44.784
where: short stacking energy: -27.427
Base-Backbone interact. energy: 0.696
local terms energy: -49.940803
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -10.551
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -6.234
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: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -304.618840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.618840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.618840 (E_RNA)
where:
Base-Base interactions energy: -211.166
where: short stacking energy: -93.304
Base-Backbone interact. energy: -0.687
local terms energy: -92.765910
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -21.036
flat angles C4'-P-C4' energy: -21.510
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -24.040
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: 184
Temperature: 0.950000
Total energy: -294.974530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.974530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.974530 (E_RNA)
where:
Base-Base interactions energy: -194.619
where: short stacking energy: -80.209
Base-Backbone interact. energy: -0.710
local terms energy: -99.645337
where:
bonds (distance) C4'-P energy: -22.412
bonds (distance) P-C4' energy: -22.438
flat angles C4'-P-C4' energy: -18.141
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -24.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -277.454940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.454940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.454940 (E_RNA)
where:
Base-Base interactions energy: -183.406
where: short stacking energy: -88.149
Base-Backbone interact. energy: -1.042
local terms energy: -93.006255
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -16.924
tors. eta vs tors. theta energy: -23.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -284.797356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.797356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.797356 (E_RNA)
where:
Base-Base interactions energy: -196.574
where: short stacking energy: -84.934
Base-Backbone interact. energy: -0.040
local terms energy: -88.183215
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -24.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -294.288211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.288211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.288211 (E_RNA)
where:
Base-Base interactions energy: -206.072
where: short stacking energy: -87.488
Base-Backbone interact. energy: -0.411
local terms energy: -87.805190
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -12.130
tors. eta vs tors. theta energy: -22.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -258.001686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.001686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.001686 (E_RNA)
where:
Base-Base interactions energy: -168.446
where: short stacking energy: -83.541
Base-Backbone interact. energy: -0.905
local terms energy: -88.650383
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -19.996
flat angles P-C4'-P energy: -17.008
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: 7, replica: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -248.951592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.951592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.951592 (E_RNA)
where:
Base-Base interactions energy: -163.529
where: short stacking energy: -77.624
Base-Backbone interact. energy: -0.026
local terms energy: -85.396601
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -20.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -171.023349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.023349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.023349 (E_RNA)
where:
Base-Base interactions energy: -106.569
where: short stacking energy: -56.599
Base-Backbone interact. energy: -0.663
local terms energy: -63.790921
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -11.641
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -101.221966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.221966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.221966 (E_RNA)
where:
Base-Base interactions energy: -30.561
where: short stacking energy: -29.867
Base-Backbone interact. energy: -0.092
local terms energy: -70.569445
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -23.498
flat angles C4'-P-C4' energy: -12.101
flat angles P-C4'-P energy: -4.060
tors. eta vs tors. theta energy: -13.441
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: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -103.460609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.460609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.460609 (E_RNA)
where:
Base-Base interactions energy: -58.983
where: short stacking energy: -37.044
Base-Backbone interact. energy: -0.531
local terms energy: -43.946995
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -5.258
tors. eta vs tors. theta energy: 1.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -314.637990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.637990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.637990 (E_RNA)
where:
Base-Base interactions energy: -214.307
where: short stacking energy: -91.451
Base-Backbone interact. energy: -3.804
local terms energy: -96.526018
where:
bonds (distance) C4'-P energy: -18.074
bonds (distance) P-C4' energy: -22.307
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -23.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -282.393563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.393563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.393563 (E_RNA)
where:
Base-Base interactions energy: -187.955
where: short stacking energy: -78.533
Base-Backbone interact. energy: -0.103
local terms energy: -94.335421
where:
bonds (distance) C4'-P energy: -18.008
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -18.563
tors. eta vs tors. theta energy: -21.145
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: 3, replica: 8
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -281.314653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.314653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.314653 (E_RNA)
where:
Base-Base interactions energy: -196.588
where: short stacking energy: -85.084
Base-Backbone interact. energy: 0.205
local terms energy: -84.931754
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -15.267
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: 4, replica: 9
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -283.881326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.881326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.881326 (E_RNA)
where:
Base-Base interactions energy: -194.152
where: short stacking energy: -78.733
Base-Backbone interact. energy: -0.244
local terms energy: -89.485804
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -16.614
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -278.636530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.636530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.636530 (E_RNA)
where:
Base-Base interactions energy: -189.498
where: short stacking energy: -85.590
Base-Backbone interact. energy: -0.014
local terms energy: -89.123838
where:
bonds (distance) C4'-P energy: -19.100
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -21.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -259.550126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.550126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.550126 (E_RNA)
where:
Base-Base interactions energy: -177.773
where: short stacking energy: -84.343
Base-Backbone interact. energy: -0.233
local terms energy: -81.543509
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -11.271
tors. eta vs tors. theta energy: -19.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -251.288242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.288242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.288242 (E_RNA)
where:
Base-Base interactions energy: -170.350
where: short stacking energy: -66.363
Base-Backbone interact. energy: -0.614
local terms energy: -80.324590
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -13.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -188.094727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.094727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.094727 (E_RNA)
where:
Base-Base interactions energy: -108.831
where: short stacking energy: -54.515
Base-Backbone interact. energy: -0.382
local terms energy: -78.882296
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -19.836
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -9.501
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: 9, replica: 3
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -91.905995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.905995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.905995 (E_RNA)
where:
Base-Base interactions energy: -26.923
where: short stacking energy: -23.659
Base-Backbone interact. energy: -0.553
local terms energy: -64.429939
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -20.026
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: 2.805
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: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -96.246973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.246973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.246973 (E_RNA)
where:
Base-Base interactions energy: -43.067
where: short stacking energy: -25.950
Base-Backbone interact. energy: -0.296
local terms energy: -52.883888
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: 0.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -296.010993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.010993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.010993 (E_RNA)
where:
Base-Base interactions energy: -193.796
where: short stacking energy: -95.872
Base-Backbone interact. energy: -0.033
local terms energy: -102.182780
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -23.084
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -28.502
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: 7
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -303.102593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.102593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.102593 (E_RNA)
where:
Base-Base interactions energy: -208.203
where: short stacking energy: -93.812
Base-Backbone interact. energy: -0.381
local terms energy: -94.518149
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -10.381
flat angles C4'-P-C4' energy: -22.304
flat angles P-C4'-P energy: -17.483
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: 3, replica: 9
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -276.935487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.935487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.935487 (E_RNA)
where:
Base-Base interactions energy: -185.992
where: short stacking energy: -87.766
Base-Backbone interact. energy: -0.000
local terms energy: -90.943623
where:
bonds (distance) C4'-P energy: -12.652
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -8.973
tors. eta vs tors. theta energy: -29.016
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: 186
Temperature: 1.050000
Total energy: -282.404544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.404544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.404544 (E_RNA)
where:
Base-Base interactions energy: -185.321
where: short stacking energy: -93.299
Base-Backbone interact. energy: -0.639
local terms energy: -96.445353
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -29.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -270.250290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.250290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.250290 (E_RNA)
where:
Base-Base interactions energy: -180.338
where: short stacking energy: -87.233
Base-Backbone interact. energy: -0.022
local terms energy: -89.890934
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -15.037
tors. eta vs tors. theta energy: -22.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -259.720261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.720261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.720261 (E_RNA)
where:
Base-Base interactions energy: -172.489
where: short stacking energy: -77.227
Base-Backbone interact. energy: -0.358
local terms energy: -86.872962
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -22.094
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -21.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -258.243344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.243344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.243344 (E_RNA)
where:
Base-Base interactions energy: -170.477
where: short stacking energy: -84.692
Base-Backbone interact. energy: -0.002
local terms energy: -87.764198
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -20.610
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: 8, replica: 6
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -176.477249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.477249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.477249 (E_RNA)
where:
Base-Base interactions energy: -107.936
where: short stacking energy: -51.214
Base-Backbone interact. energy: -0.250
local terms energy: -68.291672
where:
bonds (distance) C4'-P energy: -12.735
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -99.711350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.711350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.711350 (E_RNA)
where:
Base-Base interactions energy: -34.962
where: short stacking energy: -33.747
Base-Backbone interact. energy: -0.019
local terms energy: -64.730977
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -20.705
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -2.475
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: 3
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -98.030059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.030059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.030059 (E_RNA)
where:
Base-Base interactions energy: -44.542
where: short stacking energy: -31.103
Base-Backbone interact. energy: -0.364
local terms energy: -53.123767
where:
bonds (distance) C4'-P energy: -14.356
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -2.413
tors. eta vs tors. theta energy: -2.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -295.184127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.184127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.184127 (E_RNA)
where:
Base-Base interactions energy: -188.834
where: short stacking energy: -94.717
Base-Backbone interact. energy: -0.007
local terms energy: -106.342786
where:
bonds (distance) C4'-P energy: -20.862
bonds (distance) P-C4' energy: -20.422
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -28.190
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: 9
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -300.007581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.007581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.007581 (E_RNA)
where:
Base-Base interactions energy: -201.268
where: short stacking energy: -91.807
Base-Backbone interact. energy: -0.818
local terms energy: -97.921585
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -25.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -297.400717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.400717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.400717 (E_RNA)
where:
Base-Base interactions energy: -209.777
where: short stacking energy: -82.731
Base-Backbone interact. energy: 1.029
local terms energy: -88.652495
where:
bonds (distance) C4'-P energy: -20.661
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -20.424
flat angles P-C4'-P energy: -11.931
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: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -286.239068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.239068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.239068 (E_RNA)
where:
Base-Base interactions energy: -196.488
where: short stacking energy: -85.259
Base-Backbone interact. energy: -0.007
local terms energy: -89.744251
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -12.054
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: 5, replica: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -274.665337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.665337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.665337 (E_RNA)
where:
Base-Base interactions energy: -188.014
where: short stacking energy: -83.357
Base-Backbone interact. energy: -0.354
local terms energy: -86.296682
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -17.310
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -21.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -262.496198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.496198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.496198 (E_RNA)
where:
Base-Base interactions energy: -164.783
where: short stacking energy: -88.133
Base-Backbone interact. energy: -1.064
local terms energy: -96.649830
where:
bonds (distance) C4'-P energy: -18.899
bonds (distance) P-C4' energy: -20.869
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -14.378
tors. eta vs tors. theta energy: -24.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -243.564091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.564091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.564091 (E_RNA)
where:
Base-Base interactions energy: -161.371
where: short stacking energy: -72.476
Base-Backbone interact. energy: -0.108
local terms energy: -82.084572
where:
bonds (distance) C4'-P energy: -19.949
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -9.238
tors. eta vs tors. theta energy: -20.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -172.622066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.622066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.622066 (E_RNA)
where:
Base-Base interactions energy: -108.696
where: short stacking energy: -57.165
Base-Backbone interact. energy: -0.187
local terms energy: -63.738816
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -20.474
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -100.319418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.319418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.319418 (E_RNA)
where:
Base-Base interactions energy: -48.862
where: short stacking energy: -35.420
Base-Backbone interact. energy: -0.423
local terms energy: -51.034776
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: 1.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -113.094515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.094515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.094515 (E_RNA)
where:
Base-Base interactions energy: -51.014
where: short stacking energy: -50.629
Base-Backbone interact. energy: -0.098
local terms energy: -61.982880
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -7.999
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -291.737126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.737126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.737126 (E_RNA)
where:
Base-Base interactions energy: -198.064
where: short stacking energy: -93.033
Base-Backbone interact. energy: -0.237
local terms energy: -93.436442
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -11.312
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: 2, replica: 9
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -304.126960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.126960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.126960 (E_RNA)
where:
Base-Base interactions energy: -205.224
where: short stacking energy: -95.472
Base-Backbone interact. energy: -0.001
local terms energy: -98.902255
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -19.636
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -27.630
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: 7
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -302.200772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.200772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.200772 (E_RNA)
where:
Base-Base interactions energy: -214.073
where: short stacking energy: -89.527
Base-Backbone interact. energy: -0.101
local terms energy: -88.027412
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -23.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -283.746168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.746168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.746168 (E_RNA)
where:
Base-Base interactions energy: -189.447
where: short stacking energy: -79.448
Base-Backbone interact. energy: -1.294
local terms energy: -93.005248
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -22.986
flat angles P-C4'-P energy: -14.294
tors. eta vs tors. theta energy: -21.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -272.595626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.595626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.595626 (E_RNA)
where:
Base-Base interactions energy: -180.432
where: short stacking energy: -92.071
Base-Backbone interact. energy: 0.764
local terms energy: -92.927725
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -23.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -263.500458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.500458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.500458 (E_RNA)
where:
Base-Base interactions energy: -174.903
where: short stacking energy: -88.752
Base-Backbone interact. energy: -1.553
local terms energy: -87.044167
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -22.139
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -22.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -249.207346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.207346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.207346 (E_RNA)
where:
Base-Base interactions energy: -165.185
where: short stacking energy: -74.045
Base-Backbone interact. energy: -0.122
local terms energy: -83.899995
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: -18.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -179.897493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.897493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.897493 (E_RNA)
where:
Base-Base interactions energy: -100.095
where: short stacking energy: -43.686
Base-Backbone interact. energy: -1.085
local terms energy: -78.718105
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -8.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -103.618945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.618945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.618945 (E_RNA)
where:
Base-Base interactions energy: -45.574
where: short stacking energy: -28.256
Base-Backbone interact. energy: -0.211
local terms energy: -57.833512
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -20.524
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -4.222
tors. eta vs tors. theta energy: 0.539
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: 5
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -92.976823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.976823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.976823 (E_RNA)
where:
Base-Base interactions energy: -37.278
where: short stacking energy: -36.487
Base-Backbone interact. energy: 2.782
local terms energy: -58.481209
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -9.550
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -9.725
tors. eta vs tors. theta energy: -4.971
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: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -300.566622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.566622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.566622 (E_RNA)
where:
Base-Base interactions energy: -196.370
where: short stacking energy: -101.542
Base-Backbone interact. energy: -0.040
local terms energy: -104.157014
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -21.715
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -30.535
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: 7
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -301.649904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.649904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.649904 (E_RNA)
where:
Base-Base interactions energy: -203.632
where: short stacking energy: -91.515
Base-Backbone interact. energy: -1.800
local terms energy: -96.217489
where:
bonds (distance) C4'-P energy: -16.856
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -24.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -288.297040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.297040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.297040 (E_RNA)
where:
Base-Base interactions energy: -195.813
where: short stacking energy: -76.127
Base-Backbone interact. energy: -0.368
local terms energy: -92.115766
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -258.189493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.189493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.189493 (E_RNA)
where:
Base-Base interactions energy: -169.023
where: short stacking energy: -85.241
Base-Backbone interact. energy: -0.002
local terms energy: -89.164535
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -21.027
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -261.425756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.425756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.425756 (E_RNA)
where:
Base-Base interactions energy: -172.642
where: short stacking energy: -83.691
Base-Backbone interact. energy: -0.138
local terms energy: -88.646009
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -22.517
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: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -267.268817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.268817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.268817 (E_RNA)
where:
Base-Base interactions energy: -180.409
where: short stacking energy: -85.766
Base-Backbone interact. energy: -0.029
local terms energy: -86.830412
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -15.135
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: 7, replica: 8
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -252.398305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.398305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.398305 (E_RNA)
where:
Base-Base interactions energy: -173.899
where: short stacking energy: -76.877
Base-Backbone interact. energy: -0.862
local terms energy: -77.637625
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -12.082
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: 8, replica: 6
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -157.126965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.126965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.126965 (E_RNA)
where:
Base-Base interactions energy: -86.082
where: short stacking energy: -44.692
Base-Backbone interact. energy: -0.302
local terms energy: -70.743591
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -13.105
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: 9, replica: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -108.899134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.899134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.899134 (E_RNA)
where:
Base-Base interactions energy: -55.356
where: short stacking energy: -32.668
Base-Backbone interact. energy: 2.814
local terms energy: -56.357733
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -9.869
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -2.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -87.292346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.292346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.292346 (E_RNA)
where:
Base-Base interactions energy: -32.690
where: short stacking energy: -30.714
Base-Backbone interact. energy: -0.196
local terms energy: -54.405862
where:
bonds (distance) C4'-P energy: -8.058
bonds (distance) P-C4' energy: -18.972
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -6.889
tors. eta vs tors. theta energy: -3.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -306.376471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.376471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.376471 (E_RNA)
where:
Base-Base interactions energy: -204.475
where: short stacking energy: -87.275
Base-Backbone interact. energy: -0.015
local terms energy: -101.886561
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -22.207
flat angles P-C4'-P energy: -15.208
tors. eta vs tors. theta energy: -22.195
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: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -286.147593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.147593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.147593 (E_RNA)
where:
Base-Base interactions energy: -195.699
where: short stacking energy: -88.628
Base-Backbone interact. energy: 0.683
local terms energy: -91.131683
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -22.812
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: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -283.408532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.408532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.408532 (E_RNA)
where:
Base-Base interactions energy: -192.917
where: short stacking energy: -88.634
Base-Backbone interact. energy: -1.114
local terms energy: -89.377615
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -10.217
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: 4, replica: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -291.663957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.663957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.663957 (E_RNA)
where:
Base-Base interactions energy: -200.876
where: short stacking energy: -83.615
Base-Backbone interact. energy: 0.778
local terms energy: -91.565537
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -14.931
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: 5, replica: 2
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -282.082868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.082868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.082868 (E_RNA)
where:
Base-Base interactions energy: -189.202
where: short stacking energy: -100.306
Base-Backbone interact. energy: -0.053
local terms energy: -92.827509
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -26.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -269.013285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.013285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.013285 (E_RNA)
where:
Base-Base interactions energy: -171.861
where: short stacking energy: -83.427
Base-Backbone interact. energy: -0.023
local terms energy: -97.129659
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -22.866
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -25.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -242.366492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.366492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.366492 (E_RNA)
where:
Base-Base interactions energy: -159.165
where: short stacking energy: -75.613
Base-Backbone interact. energy: -0.329
local terms energy: -82.871545
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -13.799
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: 8, replica: 6
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -178.217689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.217689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.217689 (E_RNA)
where:
Base-Base interactions energy: -104.856
where: short stacking energy: -49.930
Base-Backbone interact. energy: -0.166
local terms energy: -73.195973
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -11.578
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: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -104.601046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.601046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.601046 (E_RNA)
where:
Base-Base interactions energy: -37.878
where: short stacking energy: -36.456
Base-Backbone interact. energy: -0.369
local terms energy: -66.354971
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -10.104
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: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -92.428402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.428402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.428402 (E_RNA)
where:
Base-Base interactions energy: -36.303
where: short stacking energy: -32.209
Base-Backbone interact. energy: -0.115
local terms energy: -56.010621
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -12.774
tors. eta vs tors. theta energy: 4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -300.869612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.869612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.869612 (E_RNA)
where:
Base-Base interactions energy: -201.747
where: short stacking energy: -83.028
Base-Backbone interact. energy: -2.823
local terms energy: -96.299477
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -25.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -286.211286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.211286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.211286 (E_RNA)
where:
Base-Base interactions energy: -181.420
where: short stacking energy: -91.188
Base-Backbone interact. energy: -0.004
local terms energy: -104.787651
where:
bonds (distance) C4'-P energy: -19.961
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -20.952
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -29.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -280.738227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.738227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.738227 (E_RNA)
where:
Base-Base interactions energy: -193.298
where: short stacking energy: -81.737
Base-Backbone interact. energy: -0.371
local terms energy: -87.068825
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -20.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -282.198747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.198747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.198747 (E_RNA)
where:
Base-Base interactions energy: -193.871
where: short stacking energy: -84.774
Base-Backbone interact. energy: -0.451
local terms energy: -87.876996
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -20.789
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -18.629
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: 5, replica: 2
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -272.619834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.619834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.619834 (E_RNA)
where:
Base-Base interactions energy: -178.128
where: short stacking energy: -81.976
Base-Backbone interact. energy: -0.646
local terms energy: -93.846432
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -25.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -253.646474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.646474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.646474 (E_RNA)
where:
Base-Base interactions energy: -174.229
where: short stacking energy: -71.600
Base-Backbone interact. energy: -0.228
local terms energy: -79.189917
where:
bonds (distance) C4'-P energy: -22.433
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -7.001
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: 7, replica: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -255.029562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.029562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.029562 (E_RNA)
where:
Base-Base interactions energy: -164.678
where: short stacking energy: -69.157
Base-Backbone interact. energy: -0.324
local terms energy: -90.028456
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -23.941
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: 6
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -186.569046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.569046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.569046 (E_RNA)
where:
Base-Base interactions energy: -115.253
where: short stacking energy: -59.777
Base-Backbone interact. energy: -0.523
local terms energy: -70.793518
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -20.084
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -9.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -103.750758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.750758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.750758 (E_RNA)
where:
Base-Base interactions energy: -45.515
where: short stacking energy: -37.896
Base-Backbone interact. energy: 1.321
local terms energy: -59.557120
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -18.377
flat angles P-C4'-P energy: -5.741
tors. eta vs tors. theta energy: -2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -116.784238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.784238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.784238 (E_RNA)
where:
Base-Base interactions energy: -61.253
where: short stacking energy: -24.164
Base-Backbone interact. energy: -0.418
local terms energy: -55.113718
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: 0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -297.100165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.100165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.100165 (E_RNA)
where:
Base-Base interactions energy: -196.944
where: short stacking energy: -89.295
Base-Backbone interact. energy: -0.492
local terms energy: -99.664774
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -27.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -306.812919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.812919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.812919 (E_RNA)
where:
Base-Base interactions energy: -217.726
where: short stacking energy: -89.216
Base-Backbone interact. energy: -0.099
local terms energy: -88.988032
where:
bonds (distance) C4'-P energy: -19.340
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -12.416
tors. eta vs tors. theta energy: -26.502
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: 3, replica: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -301.965645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.965645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.965645 (E_RNA)
where:
Base-Base interactions energy: -206.696
where: short stacking energy: -91.481
Base-Backbone interact. energy: -0.608
local terms energy: -94.661807
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -21.141
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -26.961
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: 4
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -294.638562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.638562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.638562 (E_RNA)
where:
Base-Base interactions energy: -196.545
where: short stacking energy: -101.342
Base-Backbone interact. energy: -1.060
local terms energy: -97.033451
where:
bonds (distance) C4'-P energy: -17.104
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -9.832
tors. eta vs tors. theta energy: -28.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -266.500713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.500713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.500713 (E_RNA)
where:
Base-Base interactions energy: -179.452
where: short stacking energy: -83.150
Base-Backbone interact. energy: -0.173
local terms energy: -86.875653
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -20.699
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -21.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -256.083867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.083867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.083867 (E_RNA)
where:
Base-Base interactions energy: -169.167
where: short stacking energy: -70.989
Base-Backbone interact. energy: -0.746
local terms energy: -86.170666
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -20.456
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -12.873
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -275.291753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.291753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.291753 (E_RNA)
where:
Base-Base interactions energy: -202.591
where: short stacking energy: -79.658
Base-Backbone interact. energy: -0.866
local terms energy: -71.835237
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -11.539
tors. eta vs tors. theta energy: -21.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -172.835647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.835647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.835647 (E_RNA)
where:
Base-Base interactions energy: -110.107
where: short stacking energy: -50.687
Base-Backbone interact. energy: 0.542
local terms energy: -63.270582
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -6.873
tors. eta vs tors. theta energy: -6.194
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: 9, replica: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -101.665160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.665160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.665160 (E_RNA)
where:
Base-Base interactions energy: -38.315
where: short stacking energy: -35.642
Base-Backbone interact. energy: 0.016
local terms energy: -63.366415
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -11.853
tors. eta vs tors. theta energy: -2.982
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: 5
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -98.569155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.569155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.569155 (E_RNA)
where:
Base-Base interactions energy: -46.071
where: short stacking energy: -38.300
Base-Backbone interact. energy: 0.021
local terms energy: -52.519637
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -8.734
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: 10
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -298.207137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.207137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.207137 (E_RNA)
where:
Base-Base interactions energy: -204.351
where: short stacking energy: -89.929
Base-Backbone interact. energy: -0.205
local terms energy: -93.650987
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -28.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -308.332070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.332070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.332070 (E_RNA)
where:
Base-Base interactions energy: -220.771
where: short stacking energy: -92.724
Base-Backbone interact. energy: -0.770
local terms energy: -86.791296
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -18.671
flat angles P-C4'-P energy: -16.001
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: 3, replica: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -310.163704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.163704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.163704 (E_RNA)
where:
Base-Base interactions energy: -214.004
where: short stacking energy: -83.794
Base-Backbone interact. energy: -0.073
local terms energy: -96.087212
where:
bonds (distance) C4'-P energy: -20.871
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -21.612
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -25.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -291.615686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.615686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.615686 (E_RNA)
where:
Base-Base interactions energy: -200.444
where: short stacking energy: -90.190
Base-Backbone interact. energy: -0.160
local terms energy: -91.012511
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -13.131
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: 5, replica: 2
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -256.707949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.707949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.707949 (E_RNA)
where:
Base-Base interactions energy: -170.812
where: short stacking energy: -88.371
Base-Backbone interact. energy: -0.010
local terms energy: -85.886010
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -22.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -263.729211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.729211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.729211 (E_RNA)
where:
Base-Base interactions energy: -172.529
where: short stacking energy: -72.001
Base-Backbone interact. energy: -0.008
local terms energy: -91.192352
where:
bonds (distance) C4'-P energy: -18.867
bonds (distance) P-C4' energy: -19.801
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -25.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -252.844155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.844155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.844155 (E_RNA)
where:
Base-Base interactions energy: -163.230
where: short stacking energy: -72.795
Base-Backbone interact. energy: -0.697
local terms energy: -88.916553
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -16.083
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: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -168.986916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.986916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.986916 (E_RNA)
where:
Base-Base interactions energy: -115.734
where: short stacking energy: -55.476
Base-Backbone interact. energy: 0.520
local terms energy: -53.772217
where:
bonds (distance) C4'-P energy: -10.316
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -5.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -94.653791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.653791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.653791 (E_RNA)
where:
Base-Base interactions energy: -27.941
where: short stacking energy: -27.522
Base-Backbone interact. energy: -1.072
local terms energy: -65.640553
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -3.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -88.761701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.761701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.761701 (E_RNA)
where:
Base-Base interactions energy: -32.890
where: short stacking energy: -33.990
Base-Backbone interact. energy: -0.290
local terms energy: -55.581659
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -0.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -317.129277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.129277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.129277 (E_RNA)
where:
Base-Base interactions energy: -215.363
where: short stacking energy: -86.613
Base-Backbone interact. energy: -0.461
local terms energy: -101.305445
where:
bonds (distance) C4'-P energy: -21.264
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -24.654
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: 10
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -297.881744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.881744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.881744 (E_RNA)
where:
Base-Base interactions energy: -195.560
where: short stacking energy: -94.960
Base-Backbone interact. energy: -0.085
local terms energy: -102.237478
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -20.468
flat angles C4'-P-C4' energy: -22.401
flat angles P-C4'-P energy: -14.725
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: 3, replica: 7
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -302.035631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.035631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.035631 (E_RNA)
where:
Base-Base interactions energy: -203.047
where: short stacking energy: -93.157
Base-Backbone interact. energy: 0.174
local terms energy: -99.162866
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -20.506
flat angles C4'-P-C4' energy: -23.630
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -22.210
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: 4
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -302.125595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.125595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.125595 (E_RNA)
where:
Base-Base interactions energy: -213.125
where: short stacking energy: -89.292
Base-Backbone interact. energy: -0.534
local terms energy: -88.466902
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -24.595
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: 194
Temperature: 1.100000
Total energy: -273.257350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.257350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.257350 (E_RNA)
where:
Base-Base interactions energy: -179.642
where: short stacking energy: -84.171
Base-Backbone interact. energy: -0.006
local terms energy: -93.608861
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -22.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -263.915213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.915213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.915213 (E_RNA)
where:
Base-Base interactions energy: -173.242
where: short stacking energy: -82.284
Base-Backbone interact. energy: -0.080
local terms energy: -90.592817
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -15.345
tors. eta vs tors. theta energy: -18.590
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: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -253.181908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.181908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.181908 (E_RNA)
where:
Base-Base interactions energy: -170.365
where: short stacking energy: -85.682
Base-Backbone interact. energy: -0.094
local terms energy: -82.723438
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -20.979
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: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -170.608144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.608144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.608144 (E_RNA)
where:
Base-Base interactions energy: -87.206
where: short stacking energy: -42.378
Base-Backbone interact. energy: 0.337
local terms energy: -83.738572
where:
bonds (distance) C4'-P energy: -20.045
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -13.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -92.770723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.770723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.770723 (E_RNA)
where:
Base-Base interactions energy: -27.341
where: short stacking energy: -25.083
Base-Backbone interact. energy: -0.104
local terms energy: -65.325731
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -11.149
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -7.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -91.881222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.881222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.881222 (E_RNA)
where:
Base-Base interactions energy: -33.977
where: short stacking energy: -27.658
Base-Backbone interact. energy: -0.554
local terms energy: -57.349747
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -5.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -307.339819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.339819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.339819 (E_RNA)
where:
Base-Base interactions energy: -205.247
where: short stacking energy: -91.528
Base-Backbone interact. energy: -0.073
local terms energy: -102.019770
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -22.142
flat angles C4'-P-C4' energy: -23.119
flat angles P-C4'-P energy: -16.245
tors. eta vs tors. theta energy: -23.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -303.896745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.896745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.896745 (E_RNA)
where:
Base-Base interactions energy: -202.745
where: short stacking energy: -89.634
Base-Backbone interact. energy: -0.025
local terms energy: -101.126562
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -17.107
tors. eta vs tors. theta energy: -25.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -289.527429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.527429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.527429 (E_RNA)
where:
Base-Base interactions energy: -183.201
where: short stacking energy: -92.516
Base-Backbone interact. energy: -0.015
local terms energy: -106.311780
where:
bonds (distance) C4'-P energy: -21.521
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -27.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -280.693736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.693736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.693736 (E_RNA)
where:
Base-Base interactions energy: -192.381
where: short stacking energy: -89.937
Base-Backbone interact. energy: -0.275
local terms energy: -88.037588
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -13.963
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: 5, replica: 8
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -280.430092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.430092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.430092 (E_RNA)
where:
Base-Base interactions energy: -190.210
where: short stacking energy: -90.178
Base-Backbone interact. energy: -0.321
local terms energy: -89.899099
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -14.321
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: 6, replica: 1
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -257.354046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.354046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.354046 (E_RNA)
where:
Base-Base interactions energy: -170.244
where: short stacking energy: -77.010
Base-Backbone interact. energy: -0.134
local terms energy: -86.976101
where:
bonds (distance) C4'-P energy: -18.741
bonds (distance) P-C4' energy: -15.758
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -10.822
tors. eta vs tors. theta energy: -22.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -251.799008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.799008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.799008 (E_RNA)
where:
Base-Base interactions energy: -162.498
where: short stacking energy: -80.727
Base-Backbone interact. energy: -0.157
local terms energy: -89.143818
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -26.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -106.589284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.589284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.589284 (E_RNA)
where:
Base-Base interactions energy: -42.711
where: short stacking energy: -42.711
Base-Backbone interact. energy: -1.060
local terms energy: -62.818869
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -21.858
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -152.745242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.745242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.745242 (E_RNA)
where:
Base-Base interactions energy: -91.376
where: short stacking energy: -49.350
Base-Backbone interact. energy: -0.264
local terms energy: -61.105383
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -15.421
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -6.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -89.461670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.461670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.461670 (E_RNA)
where:
Base-Base interactions energy: -26.757
where: short stacking energy: -23.308
Base-Backbone interact. energy: -0.830
local terms energy: -61.874414
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: 4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -301.478574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.478574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.478574 (E_RNA)
where:
Base-Base interactions energy: -202.533
where: short stacking energy: -85.591
Base-Backbone interact. energy: -0.851
local terms energy: -98.094585
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -14.177
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: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -302.991243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.991243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.991243 (E_RNA)
where:
Base-Base interactions energy: -214.698
where: short stacking energy: -89.812
Base-Backbone interact. energy: -0.389
local terms energy: -87.904592
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -21.916
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: -25.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -295.767084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.767084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.767084 (E_RNA)
where:
Base-Base interactions energy: -200.265
where: short stacking energy: -90.535
Base-Backbone interact. energy: -0.097
local terms energy: -95.404782
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -15.093
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: 4
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -296.431021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.431021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.431021 (E_RNA)
where:
Base-Base interactions energy: -208.053
where: short stacking energy: -94.425
Base-Backbone interact. energy: -0.007
local terms energy: -88.371698
where:
bonds (distance) C4'-P energy: -12.349
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -26.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -273.113429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.113429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.113429 (E_RNA)
where:
Base-Base interactions energy: -188.609
where: short stacking energy: -90.938
Base-Backbone interact. energy: -0.011
local terms energy: -84.493468
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -19.195
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -23.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -260.174209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.174209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.174209 (E_RNA)
where:
Base-Base interactions energy: -166.560
where: short stacking energy: -76.035
Base-Backbone interact. energy: -0.126
local terms energy: -93.487740
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -13.636
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: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -112.815438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.815438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.815438 (E_RNA)
where:
Base-Base interactions energy: -48.666
where: short stacking energy: -48.666
Base-Backbone interact. energy: -0.204
local terms energy: -63.945045
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -9.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -236.656829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.656829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.656829 (E_RNA)
where:
Base-Base interactions energy: -149.490
where: short stacking energy: -69.634
Base-Backbone interact. energy: -0.244
local terms energy: -86.922687
where:
bonds (distance) C4'-P energy: -16.951
bonds (distance) P-C4' energy: -22.948
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -149.380356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.380356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.380356 (E_RNA)
where:
Base-Base interactions energy: -86.225
where: short stacking energy: -38.407
Base-Backbone interact. energy: -0.480
local terms energy: -62.674969
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -22.573
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -6.085
tors. eta vs tors. theta energy: -8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -98.833786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.833786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.833786 (E_RNA)
where:
Base-Base interactions energy: -36.451
where: short stacking energy: -36.451
Base-Backbone interact. energy: -0.338
local terms energy: -62.044910
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -314.248843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.248843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.248843 (E_RNA)
where:
Base-Base interactions energy: -219.946
where: short stacking energy: -92.877
Base-Backbone interact. energy: -0.355
local terms energy: -93.948332
where:
bonds (distance) C4'-P energy: -20.528
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -8.539
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: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -289.633469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.633469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.633469 (E_RNA)
where:
Base-Base interactions energy: -202.379
where: short stacking energy: -102.382
Base-Backbone interact. energy: -0.000
local terms energy: -87.253848
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -29.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -298.403674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.403674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.403674 (E_RNA)
where:
Base-Base interactions energy: -198.851
where: short stacking energy: -79.918
Base-Backbone interact. energy: -0.724
local terms energy: -98.828351
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -19.800
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -23.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -281.254628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.254628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.254628 (E_RNA)
where:
Base-Base interactions energy: -183.750
where: short stacking energy: -90.973
Base-Backbone interact. energy: -0.010
local terms energy: -97.494532
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -18.365
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -27.763
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: 5, replica: 8
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -260.008738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.008738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.008738 (E_RNA)
where:
Base-Base interactions energy: -167.264
where: short stacking energy: -81.950
Base-Backbone interact. energy: -0.008
local terms energy: -92.735968
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -9.620
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: 6, replica: 1
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -252.110443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.110443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.110443 (E_RNA)
where:
Base-Base interactions energy: -176.082
where: short stacking energy: -81.686
Base-Backbone interact. energy: -0.964
local terms energy: -75.064478
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -11.391
flat angles C4'-P-C4' energy: -12.992
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -22.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -154.420263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.420263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.420263 (E_RNA)
where:
Base-Base interactions energy: -88.349
where: short stacking energy: -47.134
Base-Backbone interact. energy: -0.484
local terms energy: -65.587037
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -7.665
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: 2
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -239.557635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.557635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.557635 (E_RNA)
where:
Base-Base interactions energy: -162.928
where: short stacking energy: -67.044
Base-Backbone interact. energy: -0.732
local terms energy: -75.897368
where:
bonds (distance) C4'-P energy: -16.454
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -139.742512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.742512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.742512 (E_RNA)
where:
Base-Base interactions energy: -77.655
where: short stacking energy: -41.091
Base-Backbone interact. energy: -0.129
local terms energy: -61.959047
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -20.711
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -2.478
tors. eta vs tors. theta energy: -6.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -97.536281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.536281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.536281 (E_RNA)
where:
Base-Base interactions energy: -36.220
where: short stacking energy: -35.718
Base-Backbone interact. energy: -0.055
local terms energy: -61.261757
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -306.818008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.818008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.818008 (E_RNA)
where:
Base-Base interactions energy: -212.173
where: short stacking energy: -88.058
Base-Backbone interact. energy: -0.128
local terms energy: -94.517464
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -21.736
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -12.204
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: 2, replica: 10
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -292.719467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.719467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.719467 (E_RNA)
where:
Base-Base interactions energy: -195.043
where: short stacking energy: -99.254
Base-Backbone interact. energy: -0.004
local terms energy: -97.672333
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -27.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -295.859261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.859261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.859261 (E_RNA)
where:
Base-Base interactions energy: -192.579
where: short stacking energy: -80.470
Base-Backbone interact. energy: -0.912
local terms energy: -102.367988
where:
bonds (distance) C4'-P energy: -21.289
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -20.359
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -22.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -280.698993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.698993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.698993 (E_RNA)
where:
Base-Base interactions energy: -193.564
where: short stacking energy: -81.205
Base-Backbone interact. energy: 1.850
local terms energy: -88.985065
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -23.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -272.609095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.609095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.609095 (E_RNA)
where:
Base-Base interactions energy: -180.584
where: short stacking energy: -91.830
Base-Backbone interact. energy: -0.921
local terms energy: -91.104268
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -24.114
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: 6, replica: 1
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -262.908744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.908744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.908744 (E_RNA)
where:
Base-Base interactions energy: -174.239
where: short stacking energy: -87.436
Base-Backbone interact. energy: -0.724
local terms energy: -87.945322
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -16.257
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -239.760453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.760453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.760453 (E_RNA)
where:
Base-Base interactions energy: -152.562
where: short stacking energy: -70.464
Base-Backbone interact. energy: 0.364
local terms energy: -87.563111
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: -18.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -161.510043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.510043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.510043 (E_RNA)
where:
Base-Base interactions energy: -100.185
where: short stacking energy: -46.148
Base-Backbone interact. energy: -1.626
local terms energy: -59.699196
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -4.421
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -132.477532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.477532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.477532 (E_RNA)
where:
Base-Base interactions energy: -63.838
where: short stacking energy: -30.264
Base-Backbone interact. energy: -1.571
local terms energy: -67.068853
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -87.748564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.748564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.748564 (E_RNA)
where:
Base-Base interactions energy: -28.684
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.018
local terms energy: -59.047034
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -3.905
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: 1, replica: 7
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -309.234170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.234170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.234170 (E_RNA)
where:
Base-Base interactions energy: -209.404
where: short stacking energy: -92.617
Base-Backbone interact. energy: -0.869
local terms energy: -98.960616
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -22.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -302.242256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.242256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.242256 (E_RNA)
where:
Base-Base interactions energy: -211.421
where: short stacking energy: -92.066
Base-Backbone interact. energy: -0.013
local terms energy: -90.807689
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -21.260
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -22.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -287.266357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.266357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.266357 (E_RNA)
where:
Base-Base interactions energy: -186.490
where: short stacking energy: -88.542
Base-Backbone interact. energy: -0.102
local terms energy: -100.675200
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -15.560
tors. eta vs tors. theta energy: -28.750
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: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -287.701662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.701662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.701662 (E_RNA)
where:
Base-Base interactions energy: -203.724
where: short stacking energy: -84.610
Base-Backbone interact. energy: -0.040
local terms energy: -83.937682
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -22.528
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: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -281.176189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.176189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.176189 (E_RNA)
where:
Base-Base interactions energy: -187.285
where: short stacking energy: -88.200
Base-Backbone interact. energy: -0.105
local terms energy: -93.785849
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -22.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -270.974044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.974044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.974044 (E_RNA)
where:
Base-Base interactions energy: -182.704
where: short stacking energy: -78.831
Base-Backbone interact. energy: -0.158
local terms energy: -88.112251
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -22.721
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: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -270.706408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.706408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.706408 (E_RNA)
where:
Base-Base interactions energy: -188.872
where: short stacking energy: -87.166
Base-Backbone interact. energy: -0.032
local terms energy: -81.802186
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -23.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -123.336092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.336092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.336092 (E_RNA)
where:
Base-Base interactions energy: -63.320
where: short stacking energy: -42.204
Base-Backbone interact. energy: -0.425
local terms energy: -59.590661
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -7.625
tors. eta vs tors. theta energy: -7.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -155.532559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.532559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.532559 (E_RNA)
where:
Base-Base interactions energy: -97.190
where: short stacking energy: -41.132
Base-Backbone interact. energy: -0.670
local terms energy: -57.672110
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -10.398
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -89.222039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.222039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.222039 (E_RNA)
where:
Base-Base interactions energy: -36.190
where: short stacking energy: -32.019
Base-Backbone interact. energy: -0.009
local terms energy: -53.022793
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -10.718
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -1.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -310.827918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.827918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.827918 (E_RNA)
where:
Base-Base interactions energy: -211.280
where: short stacking energy: -95.365
Base-Backbone interact. energy: -0.431
local terms energy: -99.116794
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -19.993
flat angles C4'-P-C4' energy: -21.839
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -24.736
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: 2, replica: 7
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -301.969159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.969159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.969159 (E_RNA)
where:
Base-Base interactions energy: -206.560
where: short stacking energy: -91.951
Base-Backbone interact. energy: -0.186
local terms energy: -95.222348
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -21.010
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -24.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -289.711827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.711827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.711827 (E_RNA)
where:
Base-Base interactions energy: -197.573
where: short stacking energy: -88.359
Base-Backbone interact. energy: 1.700
local terms energy: -93.838047
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -22.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -268.659994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.659994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.659994 (E_RNA)
where:
Base-Base interactions energy: -179.926
where: short stacking energy: -97.476
Base-Backbone interact. energy: -0.207
local terms energy: -88.526855
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -15.363
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: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -276.097541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.097541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.097541 (E_RNA)
where:
Base-Base interactions energy: -182.014
where: short stacking energy: -83.948
Base-Backbone interact. energy: -0.339
local terms energy: -93.744541
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -23.905
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: 4
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -258.509692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.509692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.509692 (E_RNA)
where:
Base-Base interactions energy: -171.643
where: short stacking energy: -83.261
Base-Backbone interact. energy: -0.340
local terms energy: -86.526779
where:
bonds (distance) C4'-P energy: -9.591
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -9.163
tors. eta vs tors. theta energy: -27.598
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: 7, replica: 1
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -256.541154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.541154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.541154 (E_RNA)
where:
Base-Base interactions energy: -176.947
where: short stacking energy: -75.962
Base-Backbone interact. energy: -0.014
local terms energy: -79.580254
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -19.648
flat angles P-C4'-P energy: -8.770
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: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -118.716427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.716427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.716427 (E_RNA)
where:
Base-Base interactions energy: -55.054
where: short stacking energy: -38.006
Base-Backbone interact. energy: -0.632
local terms energy: -63.030373
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -21.107
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -3.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -143.511086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.511086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.511086 (E_RNA)
where:
Base-Base interactions energy: -82.360
where: short stacking energy: -30.099
Base-Backbone interact. energy: -0.097
local terms energy: -61.053935
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -5.796
tors. eta vs tors. theta energy: -7.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -97.537272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.537272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.537272 (E_RNA)
where:
Base-Base interactions energy: -30.557
where: short stacking energy: -16.493
Base-Backbone interact. energy: -0.181
local terms energy: -66.798841
where:
bonds (distance) C4'-P energy: -13.296
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -2.313
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: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -306.890858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.890858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.890858 (E_RNA)
where:
Base-Base interactions energy: -216.412
where: short stacking energy: -90.452
Base-Backbone interact. energy: 0.796
local terms energy: -91.275248
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -14.695
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: 2, replica: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -313.767879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.767879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.767879 (E_RNA)
where:
Base-Base interactions energy: -215.039
where: short stacking energy: -92.118
Base-Backbone interact. energy: -1.270
local terms energy: -97.458399
where:
bonds (distance) C4'-P energy: -20.206
bonds (distance) P-C4' energy: -21.379
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -21.899
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: 7
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -293.138741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.138741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.138741 (E_RNA)
where:
Base-Base interactions energy: -201.115
where: short stacking energy: -90.148
Base-Backbone interact. energy: 0.396
local terms energy: -92.419945
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -20.497
flat angles C4'-P-C4' energy: -20.519
flat angles P-C4'-P energy: -14.373
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: 4, replica: 10
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -286.538634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.538634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.538634 (E_RNA)
where:
Base-Base interactions energy: -191.768
where: short stacking energy: -85.528
Base-Backbone interact. energy: -0.899
local terms energy: -93.871389
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -11.205
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -14.003
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: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -278.743438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.743438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.743438 (E_RNA)
where:
Base-Base interactions energy: -180.976
where: short stacking energy: -91.567
Base-Backbone interact. energy: -0.016
local terms energy: -97.750829
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -20.968
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -30.268
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: 201
Temperature: 1.150000
Total energy: -262.212480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.212480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.212480 (E_RNA)
where:
Base-Base interactions energy: -175.551
where: short stacking energy: -81.949
Base-Backbone interact. energy: -0.018
local terms energy: -86.643536
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -23.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -250.138237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.138237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.138237 (E_RNA)
where:
Base-Base interactions energy: -169.979
where: short stacking energy: -75.521
Base-Backbone interact. energy: 2.884
local terms energy: -83.043519
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -19.953
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: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -109.659278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.659278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.659278 (E_RNA)
where:
Base-Base interactions energy: -45.903
where: short stacking energy: -28.291
Base-Backbone interact. energy: 0.620
local terms energy: -64.376412
where:
bonds (distance) C4'-P energy: -20.773
bonds (distance) P-C4' energy: -19.052
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -3.934
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: 201
Temperature: 1.300000
Total energy: -125.802210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.802210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.802210 (E_RNA)
where:
Base-Base interactions energy: -58.788
where: short stacking energy: -25.444
Base-Backbone interact. energy: -0.222
local terms energy: -66.791900
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -4.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -103.167160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.167160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.167160 (E_RNA)
where:
Base-Base interactions energy: -47.445
where: short stacking energy: -21.474
Base-Backbone interact. energy: -0.289
local terms energy: -55.433259
where:
bonds (distance) C4'-P energy: -20.025
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -6.369
tors. eta vs tors. theta energy: 1.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -306.680750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.680750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.680750 (E_RNA)
where:
Base-Base interactions energy: -214.090
where: short stacking energy: -85.095
Base-Backbone interact. energy: -0.204
local terms energy: -92.385804
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -20.936
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -22.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -306.185616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.185616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.185616 (E_RNA)
where:
Base-Base interactions energy: -214.357
where: short stacking energy: -92.082
Base-Backbone interact. energy: -1.291
local terms energy: -90.537648
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -27.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -299.334041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.334041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.334041 (E_RNA)
where:
Base-Base interactions energy: -205.161
where: short stacking energy: -89.206
Base-Backbone interact. energy: -0.944
local terms energy: -93.229650
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -16.760
tors. eta vs tors. theta energy: -25.171
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: 4, replica: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -281.223807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.223807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.223807 (E_RNA)
where:
Base-Base interactions energy: -186.658
where: short stacking energy: -90.551
Base-Backbone interact. energy: -0.022
local terms energy: -94.543365
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -26.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -261.758748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.758748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.758748 (E_RNA)
where:
Base-Base interactions energy: -174.273
where: short stacking energy: -64.069
Base-Backbone interact. energy: -0.028
local terms energy: -87.458192
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -21.580
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -255.372542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.372542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.372542 (E_RNA)
where:
Base-Base interactions energy: -157.991
where: short stacking energy: -71.553
Base-Backbone interact. energy: 0.056
local terms energy: -97.437299
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -23.114
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: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -241.641758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.641758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.641758 (E_RNA)
where:
Base-Base interactions energy: -158.832
where: short stacking energy: -69.851
Base-Backbone interact. energy: -0.093
local terms energy: -82.716461
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -14.666
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: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -121.488997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.488997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.488997 (E_RNA)
where:
Base-Base interactions energy: -50.465
where: short stacking energy: -35.499
Base-Backbone interact. energy: -0.082
local terms energy: -70.942120
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -14.188
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: 9, replica: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -98.249513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.249513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.249513 (E_RNA)
where:
Base-Base interactions energy: -41.926
where: short stacking energy: -34.540
Base-Backbone interact. energy: 1.063
local terms energy: -57.386435
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -14.227
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -93.123348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.123348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.123348 (E_RNA)
where:
Base-Base interactions energy: -36.418
where: short stacking energy: -33.729
Base-Backbone interact. energy: -0.045
local terms energy: -56.661256
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -7.030
tors. eta vs tors. theta energy: -2.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -303.198400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.198400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.198400 (E_RNA)
where:
Base-Base interactions energy: -204.065
where: short stacking energy: -90.095
Base-Backbone interact. energy: -0.160
local terms energy: -98.973338
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -26.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -300.289430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.289430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.289430 (E_RNA)
where:
Base-Base interactions energy: -205.964
where: short stacking energy: -91.387
Base-Backbone interact. energy: -1.094
local terms energy: -93.231731
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -22.989
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -22.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -301.379750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.379750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.379750 (E_RNA)
where:
Base-Base interactions energy: -197.404
where: short stacking energy: -85.950
Base-Backbone interact. energy: -0.019
local terms energy: -103.956265
where:
bonds (distance) C4'-P energy: -20.513
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -21.674
flat angles P-C4'-P energy: -17.637
tors. eta vs tors. theta energy: -23.550
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: 4, replica: 1
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -277.807756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.807756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.807756 (E_RNA)
where:
Base-Base interactions energy: -181.416
where: short stacking energy: -90.197
Base-Backbone interact. energy: -0.290
local terms energy: -96.101365
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -19.484
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -24.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -270.959346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.959346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.959346 (E_RNA)
where:
Base-Base interactions energy: -181.575
where: short stacking energy: -84.903
Base-Backbone interact. energy: -0.178
local terms energy: -89.206724
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -19.762
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -25.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -253.867242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.867242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.867242 (E_RNA)
where:
Base-Base interactions energy: -169.822
where: short stacking energy: -68.925
Base-Backbone interact. energy: -0.202
local terms energy: -83.843416
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -21.131
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -15.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -257.928301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.928301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.928301 (E_RNA)
where:
Base-Base interactions energy: -173.020
where: short stacking energy: -73.565
Base-Backbone interact. energy: -0.675
local terms energy: -84.233663
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -14.219
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: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -115.243207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.243207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.243207 (E_RNA)
where:
Base-Base interactions energy: -52.247
where: short stacking energy: -42.189
Base-Backbone interact. energy: -0.119
local terms energy: -62.877760
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -5.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -99.281371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.281371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.281371 (E_RNA)
where:
Base-Base interactions energy: -35.811
where: short stacking energy: -35.811
Base-Backbone interact. energy: -0.327
local terms energy: -63.143461
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -5.694
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: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -97.312608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.312608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.312608 (E_RNA)
where:
Base-Base interactions energy: -29.024
where: short stacking energy: -29.000
Base-Backbone interact. energy: -0.063
local terms energy: -68.226255
where:
bonds (distance) C4'-P energy: -20.640
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -2.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -316.641981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.641981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.641981 (E_RNA)
where:
Base-Base interactions energy: -217.834
where: short stacking energy: -94.271
Base-Backbone interact. energy: -0.003
local terms energy: -98.804354
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -20.432
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -13.682
tors. eta vs tors. theta energy: -24.325
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: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -299.653579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.653579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.653579 (E_RNA)
where:
Base-Base interactions energy: -213.491
where: short stacking energy: -81.198
Base-Backbone interact. energy: -0.371
local terms energy: -85.790691
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -12.974
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: 3, replica: 9
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -302.088235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.088235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.088235 (E_RNA)
where:
Base-Base interactions energy: -209.169
where: short stacking energy: -86.434
Base-Backbone interact. energy: -0.312
local terms energy: -92.606730
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -20.435
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -20.973
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: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -278.948591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.948591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.948591 (E_RNA)
where:
Base-Base interactions energy: -185.444
where: short stacking energy: -85.652
Base-Backbone interact. energy: -3.294
local terms energy: -90.210104
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -27.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -272.672477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.672477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.672477 (E_RNA)
where:
Base-Base interactions energy: -178.287
where: short stacking energy: -91.174
Base-Backbone interact. energy: -0.044
local terms energy: -94.341824
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -20.067
flat angles C4'-P-C4' energy: -19.825
flat angles P-C4'-P energy: -11.021
tors. eta vs tors. theta energy: -29.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -256.947753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.947753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.947753 (E_RNA)
where:
Base-Base interactions energy: -168.456
where: short stacking energy: -80.765
Base-Backbone interact. energy: -0.035
local terms energy: -88.456468
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -24.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -261.923584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.923584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.923584 (E_RNA)
where:
Base-Base interactions energy: -176.547
where: short stacking energy: -85.120
Base-Backbone interact. energy: -0.020
local terms energy: -85.356562
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -21.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -117.176178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.176178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.176178 (E_RNA)
where:
Base-Base interactions energy: -54.245
where: short stacking energy: -45.245
Base-Backbone interact. energy: 1.160
local terms energy: -64.091143
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -13.443
flat angles P-C4'-P energy: -6.466
tors. eta vs tors. theta energy: -6.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -98.612723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.612723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.612723 (E_RNA)
where:
Base-Base interactions energy: -46.791
where: short stacking energy: -30.862
Base-Backbone interact. energy: -0.245
local terms energy: -51.577055
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -0.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -88.253512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.253512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.253512 (E_RNA)
where:
Base-Base interactions energy: -32.071
where: short stacking energy: -29.860
Base-Backbone interact. energy: -0.452
local terms energy: -55.731483
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: 1.526
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: 1, replica: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -318.476045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.476045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.476045 (E_RNA)
where:
Base-Base interactions energy: -212.709
where: short stacking energy: -95.754
Base-Backbone interact. energy: -0.423
local terms energy: -105.344160
where:
bonds (distance) C4'-P energy: -21.063
bonds (distance) P-C4' energy: -22.077
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -23.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -299.745361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.745361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.745361 (E_RNA)
where:
Base-Base interactions energy: -211.916
where: short stacking energy: -90.445
Base-Backbone interact. energy: 5.852
local terms energy: -93.681382
where:
bonds (distance) C4'-P energy: -20.035
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -20.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -299.799566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.799566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.799566 (E_RNA)
where:
Base-Base interactions energy: -205.918
where: short stacking energy: -88.520
Base-Backbone interact. energy: -0.083
local terms energy: -93.798608
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -21.620
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -26.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -275.969780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.969780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.969780 (E_RNA)
where:
Base-Base interactions energy: -181.969
where: short stacking energy: -93.509
Base-Backbone interact. energy: -0.009
local terms energy: -93.991686
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -15.050
tors. eta vs tors. theta energy: -23.067
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: 2
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -260.251784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.251784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.251784 (E_RNA)
where:
Base-Base interactions energy: -176.358
where: short stacking energy: -76.861
Base-Backbone interact. energy: -0.109
local terms energy: -83.784405
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -21.862
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -18.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -270.403524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.403524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.403524 (E_RNA)
where:
Base-Base interactions energy: -176.042
where: short stacking energy: -83.825
Base-Backbone interact. energy: -0.073
local terms energy: -94.288302
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -18.275
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -26.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -261.567357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.567357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.567357 (E_RNA)
where:
Base-Base interactions energy: -179.764
where: short stacking energy: -76.755
Base-Backbone interact. energy: -0.233
local terms energy: -81.569658
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -22.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -117.689853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.689853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.689853 (E_RNA)
where:
Base-Base interactions energy: -45.387
where: short stacking energy: -43.782
Base-Backbone interact. energy: -0.388
local terms energy: -71.915475
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -10.362
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -103.573335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.573335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.573335 (E_RNA)
where:
Base-Base interactions energy: -37.474
where: short stacking energy: -34.924
Base-Backbone interact. energy: -0.054
local terms energy: -66.045168
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -21.423
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -108.415156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.415156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.415156 (E_RNA)
where:
Base-Base interactions energy: -49.419
where: short stacking energy: -42.960
Base-Backbone interact. energy: -0.174
local terms energy: -58.821399
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -4.042
tors. eta vs tors. theta energy: -6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -309.803494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.803494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.803494 (E_RNA)
where:
Base-Base interactions energy: -209.081
where: short stacking energy: -90.293
Base-Backbone interact. energy: -2.533
local terms energy: -98.189516
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -15.834
flat angles C4'-P-C4' energy: -22.825
flat angles P-C4'-P energy: -15.241
tors. eta vs tors. theta energy: -26.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -295.188352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.188352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.188352 (E_RNA)
where:
Base-Base interactions energy: -200.790
where: short stacking energy: -83.907
Base-Backbone interact. energy: -0.643
local terms energy: -93.755395
where:
bonds (distance) C4'-P energy: -19.472
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -20.381
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -23.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -286.138344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.138344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.138344 (E_RNA)
where:
Base-Base interactions energy: -193.944
where: short stacking energy: -91.175
Base-Backbone interact. energy: -0.003
local terms energy: -92.191850
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -15.715
tors. eta vs tors. theta energy: -24.404
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: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -295.622083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.622083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.622083 (E_RNA)
where:
Base-Base interactions energy: -201.780
where: short stacking energy: -93.284
Base-Backbone interact. energy: -0.147
local terms energy: -93.694816
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -24.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -283.394827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.394827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.394827 (E_RNA)
where:
Base-Base interactions energy: -189.130
where: short stacking energy: -88.650
Base-Backbone interact. energy: -0.023
local terms energy: -94.241733
where:
bonds (distance) C4'-P energy: -18.896
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -23.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -252.549500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.549500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.549500 (E_RNA)
where:
Base-Base interactions energy: -167.297
where: short stacking energy: -77.739
Base-Backbone interact. energy: -0.288
local terms energy: -84.964171
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -22.841
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -268.685144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.685144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.685144 (E_RNA)
where:
Base-Base interactions energy: -184.032
where: short stacking energy: -78.783
Base-Backbone interact. energy: -0.413
local terms energy: -84.240101
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -23.273
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: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -105.539739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.539739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.539739 (E_RNA)
where:
Base-Base interactions energy: -39.613
where: short stacking energy: -39.613
Base-Backbone interact. energy: -0.172
local terms energy: -65.755201
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: -8.975
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: 3
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -98.950198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.950198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.950198 (E_RNA)
where:
Base-Base interactions energy: -32.618
where: short stacking energy: -30.433
Base-Backbone interact. energy: -0.349
local terms energy: -65.982574
where:
bonds (distance) C4'-P energy: -20.102
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -128.053251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.053251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.053251 (E_RNA)
where:
Base-Base interactions energy: -59.933
where: short stacking energy: -40.180
Base-Backbone interact. energy: -0.240
local terms energy: -67.880932
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -17.024
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -5.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -300.419341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.419341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.419341 (E_RNA)
where:
Base-Base interactions energy: -195.463
where: short stacking energy: -89.836
Base-Backbone interact. energy: -0.013
local terms energy: -104.943267
where:
bonds (distance) C4'-P energy: -20.768
bonds (distance) P-C4' energy: -22.380
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -28.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -298.722343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.722343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.722343 (E_RNA)
where:
Base-Base interactions energy: -217.026
where: short stacking energy: -85.425
Base-Backbone interact. energy: -0.182
local terms energy: -81.514341
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -277.863225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.863225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.863225 (E_RNA)
where:
Base-Base interactions energy: -188.701
where: short stacking energy: -88.437
Base-Backbone interact. energy: -0.448
local terms energy: -88.713900
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -19.971
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -24.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -270.868229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.868229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.868229 (E_RNA)
where:
Base-Base interactions energy: -180.785
where: short stacking energy: -84.968
Base-Backbone interact. energy: -0.124
local terms energy: -89.958866
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -15.501
tors. eta vs tors. theta energy: -21.864
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: 9
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -284.510816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.510816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.510816 (E_RNA)
where:
Base-Base interactions energy: -203.159
where: short stacking energy: -79.326
Base-Backbone interact. energy: -0.227
local terms energy: -81.124799
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -19.840
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: 10
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -278.437735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.437735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.437735 (E_RNA)
where:
Base-Base interactions energy: -181.217
where: short stacking energy: -81.028
Base-Backbone interact. energy: -0.203
local terms energy: -97.017889
where:
bonds (distance) C4'-P energy: -20.082
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -22.602
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -24.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -248.938255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.938255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.938255 (E_RNA)
where:
Base-Base interactions energy: -169.308
where: short stacking energy: -82.185
Base-Backbone interact. energy: -0.057
local terms energy: -79.572995
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -18.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -164.719501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.719501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.719501 (E_RNA)
where:
Base-Base interactions energy: -101.609
where: short stacking energy: -42.117
Base-Backbone interact. energy: -0.401
local terms energy: -62.709619
where:
bonds (distance) C4'-P energy: -18.315
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -6.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -122.027403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.027403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.027403 (E_RNA)
where:
Base-Base interactions energy: -61.024
where: short stacking energy: -47.127
Base-Backbone interact. energy: 2.691
local terms energy: -63.695099
where:
bonds (distance) C4'-P energy: -15.779
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -4.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -96.035260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.035260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.035260 (E_RNA)
where:
Base-Base interactions energy: -44.370
where: short stacking energy: -28.560
Base-Backbone interact. energy: -0.003
local terms energy: -51.662202
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -0.937
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: 8
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -301.407695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.407695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.407695 (E_RNA)
where:
Base-Base interactions energy: -202.329
where: short stacking energy: -98.338
Base-Backbone interact. energy: -0.100
local terms energy: -98.978440
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -16.304
tors. eta vs tors. theta energy: -27.089
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: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -293.232978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.232978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.232978 (E_RNA)
where:
Base-Base interactions energy: -195.689
where: short stacking energy: -82.102
Base-Backbone interact. energy: -0.371
local terms energy: -97.173346
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -22.222
flat angles C4'-P-C4' energy: -22.698
flat angles P-C4'-P energy: -16.140
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -277.931930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.931930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.931930 (E_RNA)
where:
Base-Base interactions energy: -177.722
where: short stacking energy: -85.039
Base-Backbone interact. energy: -0.095
local terms energy: -100.114475
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -25.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -268.411776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.411776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.411776 (E_RNA)
where:
Base-Base interactions energy: -183.280
where: short stacking energy: -83.003
Base-Backbone interact. energy: 0.165
local terms energy: -85.296353
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -23.215
flat angles P-C4'-P energy: -8.301
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: 5, replica: 9
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -290.013781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.013781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.013781 (E_RNA)
where:
Base-Base interactions energy: -189.780
where: short stacking energy: -83.417
Base-Backbone interact. energy: -2.340
local terms energy: -97.893824
where:
bonds (distance) C4'-P energy: -18.607
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -15.926
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: 6, replica: 10
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -269.945264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.945264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.945264 (E_RNA)
where:
Base-Base interactions energy: -188.797
where: short stacking energy: -76.870
Base-Backbone interact. energy: -1.050
local terms energy: -80.097948
where:
bonds (distance) C4'-P energy: -12.942
bonds (distance) P-C4' energy: -17.680
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -21.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -248.160068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.160068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.160068 (E_RNA)
where:
Base-Base interactions energy: -157.711
where: short stacking energy: -78.604
Base-Backbone interact. energy: -0.757
local terms energy: -89.691823
where:
bonds (distance) C4'-P energy: -20.474
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -24.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -165.403768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.403768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.403768 (E_RNA)
where:
Base-Base interactions energy: -101.471
where: short stacking energy: -44.478
Base-Backbone interact. energy: -0.285
local terms energy: -63.647940
where:
bonds (distance) C4'-P energy: -11.626
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -10.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -107.138144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.138144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.138144 (E_RNA)
where:
Base-Base interactions energy: -43.113
where: short stacking energy: -42.281
Base-Backbone interact. energy: -0.637
local terms energy: -63.387739
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -18.176
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -6.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -84.478407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.478407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.478407 (E_RNA)
where:
Base-Base interactions energy: -40.096
where: short stacking energy: -32.684
Base-Backbone interact. energy: -0.209
local terms energy: -44.173304
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -14.134
flat angles C4'-P-C4' energy: -4.823
flat angles P-C4'-P energy: -5.536
tors. eta vs tors. theta energy: -3.047
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: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -314.061150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.061150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.061150 (E_RNA)
where:
Base-Base interactions energy: -213.947
where: short stacking energy: -97.735
Base-Backbone interact. energy: -0.402
local terms energy: -99.712485
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -17.630
tors. eta vs tors. theta energy: -27.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -282.004485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.004485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.004485 (E_RNA)
where:
Base-Base interactions energy: -187.569
where: short stacking energy: -86.195
Base-Backbone interact. energy: -1.488
local terms energy: -92.947353
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -13.258
tors. eta vs tors. theta energy: -24.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -299.701411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.701411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.701411 (E_RNA)
where:
Base-Base interactions energy: -206.561
where: short stacking energy: -87.962
Base-Backbone interact. energy: 0.022
local terms energy: -93.162565
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -22.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -288.126091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.126091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.126091 (E_RNA)
where:
Base-Base interactions energy: -198.795
where: short stacking energy: -87.275
Base-Backbone interact. energy: -0.656
local terms energy: -88.674925
where:
bonds (distance) C4'-P energy: -19.311
bonds (distance) P-C4' energy: -18.388
flat angles C4'-P-C4' energy: -19.410
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -22.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -266.356154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.356154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.356154 (E_RNA)
where:
Base-Base interactions energy: -179.751
where: short stacking energy: -76.066
Base-Backbone interact. energy: -0.595
local terms energy: -86.010225
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -20.935
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -21.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -259.229964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.229964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.229964 (E_RNA)
where:
Base-Base interactions energy: -172.700
where: short stacking energy: -79.095
Base-Backbone interact. energy: -0.893
local terms energy: -85.636571
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -23.015
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: 2
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -257.197231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.197231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.197231 (E_RNA)
where:
Base-Base interactions energy: -178.720
where: short stacking energy: -75.444
Base-Backbone interact. energy: -0.126
local terms energy: -78.350583
where:
bonds (distance) C4'-P energy: -12.089
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -5.462
tors. eta vs tors. theta energy: -19.969
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: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -155.962669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.962669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.962669 (E_RNA)
where:
Base-Base interactions energy: -86.301
where: short stacking energy: -47.774
Base-Backbone interact. energy: -0.375
local terms energy: -69.286466
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -22.886
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -9.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -137.038092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.038092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.038092 (E_RNA)
where:
Base-Base interactions energy: -77.428
where: short stacking energy: -46.801
Base-Backbone interact. energy: -0.174
local terms energy: -59.435886
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -13.352
flat angles P-C4'-P energy: -5.890
tors. eta vs tors. theta energy: -6.144
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: 5
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -94.895530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.895530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.895530 (E_RNA)
where:
Base-Base interactions energy: -35.986
where: short stacking energy: -25.364
Base-Backbone interact. energy: -1.096
local terms energy: -57.813805
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -22.101
flat angles C4'-P-C4' energy: -11.244
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: 3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -309.025065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.025065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.025065 (E_RNA)
where:
Base-Base interactions energy: -207.029
where: short stacking energy: -95.972
Base-Backbone interact. energy: -2.786
local terms energy: -99.209875
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -27.814
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: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -295.320334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.320334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.320334 (E_RNA)
where:
Base-Base interactions energy: -196.909
where: short stacking energy: -97.688
Base-Backbone interact. energy: 0.159
local terms energy: -98.570374
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -23.156
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -27.316
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: 9
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -302.082584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.082584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.082584 (E_RNA)
where:
Base-Base interactions energy: -204.866
where: short stacking energy: -89.627
Base-Backbone interact. energy: -0.786
local terms energy: -96.430502
where:
bonds (distance) C4'-P energy: -20.535
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -17.195
tors. eta vs tors. theta energy: -21.720
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: 7
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -274.854454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.854454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.854454 (E_RNA)
where:
Base-Base interactions energy: -185.404
where: short stacking energy: -78.746
Base-Backbone interact. energy: -0.953
local terms energy: -88.497483
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -20.457
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -19.260
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: 10
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -277.947297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.947297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.947297 (E_RNA)
where:
Base-Base interactions energy: -184.722
where: short stacking energy: -73.229
Base-Backbone interact. energy: -0.552
local terms energy: -92.672467
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -11.857
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: 6, replica: 1
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -260.948038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.948038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.948038 (E_RNA)
where:
Base-Base interactions energy: -178.679
where: short stacking energy: -80.280
Base-Backbone interact. energy: -0.119
local terms energy: -82.149987
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -8.518
tors. eta vs tors. theta energy: -21.258
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: 2
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -255.401912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.401912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.401912 (E_RNA)
where:
Base-Base interactions energy: -165.087
where: short stacking energy: -81.990
Base-Backbone interact. energy: -0.007
local terms energy: -90.307731
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -20.445
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -22.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -168.255053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.255053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.255053 (E_RNA)
where:
Base-Base interactions energy: -107.631
where: short stacking energy: -60.175
Base-Backbone interact. energy: -0.119
local terms energy: -60.504648
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -3.497
tors. eta vs tors. theta energy: -8.274
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: 5
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -108.671554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.671554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.671554 (E_RNA)
where:
Base-Base interactions energy: -43.613
where: short stacking energy: -42.209
Base-Backbone interact. energy: -0.046
local terms energy: -65.012585
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -20.200
flat angles P-C4'-P energy: -6.581
tors. eta vs tors. theta energy: -8.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -91.491628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.491628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.491628 (E_RNA)
where:
Base-Base interactions energy: -36.642
where: short stacking energy: -30.838
Base-Backbone interact. energy: -0.198
local terms energy: -54.651631
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: 0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -308.099321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.099321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.099321 (E_RNA)
where:
Base-Base interactions energy: -206.352
where: short stacking energy: -89.942
Base-Backbone interact. energy: -0.008
local terms energy: -101.738819
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -23.512
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -26.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -297.339588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.339588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.339588 (E_RNA)
where:
Base-Base interactions energy: -205.129
where: short stacking energy: -76.402
Base-Backbone interact. energy: -0.367
local terms energy: -91.843395
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -21.789
flat angles P-C4'-P energy: -11.835
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: 3, replica: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -291.190334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.190334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.190334 (E_RNA)
where:
Base-Base interactions energy: -190.634
where: short stacking energy: -97.643
Base-Backbone interact. energy: -0.470
local terms energy: -100.086086
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -22.478
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -30.221
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: 211
Temperature: 1.050000
Total energy: -279.933707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.933707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.933707 (E_RNA)
where:
Base-Base interactions energy: -190.061
where: short stacking energy: -90.672
Base-Backbone interact. energy: -0.890
local terms energy: -88.982632
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -23.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -284.900535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.900535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.900535 (E_RNA)
where:
Base-Base interactions energy: -195.477
where: short stacking energy: -82.732
Base-Backbone interact. energy: -0.842
local terms energy: -88.581171
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -25.281
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: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -258.938398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.938398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.938398 (E_RNA)
where:
Base-Base interactions energy: -168.814
where: short stacking energy: -85.250
Base-Backbone interact. energy: -1.071
local terms energy: -89.053530
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -24.518
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: 1
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -253.210971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.210971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.210971 (E_RNA)
where:
Base-Base interactions energy: -159.677
where: short stacking energy: -67.191
Base-Backbone interact. energy: -0.027
local terms energy: -93.507261
where:
bonds (distance) C4'-P energy: -19.871
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -24.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -159.115221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.115221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.115221 (E_RNA)
where:
Base-Base interactions energy: -101.465
where: short stacking energy: -54.377
Base-Backbone interact. energy: -0.321
local terms energy: -57.328798
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -8.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -102.203292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.203292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.203292 (E_RNA)
where:
Base-Base interactions energy: -37.843
where: short stacking energy: -23.859
Base-Backbone interact. energy: 0.410
local terms energy: -64.770090
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -20.732
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -0.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -96.197971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.197971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.197971 (E_RNA)
where:
Base-Base interactions energy: -41.613
where: short stacking energy: -37.858
Base-Backbone interact. energy: -0.034
local terms energy: -54.551521
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -2.337
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -306.821027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.821027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.821027 (E_RNA)
where:
Base-Base interactions energy: -210.485
where: short stacking energy: -91.335
Base-Backbone interact. energy: -0.448
local terms energy: -95.888175
where:
bonds (distance) C4'-P energy: -20.241
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -20.768
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: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -309.231713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.231713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.231713 (E_RNA)
where:
Base-Base interactions energy: -214.635
where: short stacking energy: -89.447
Base-Backbone interact. energy: -0.663
local terms energy: -93.933410
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -17.285
flat angles C4'-P-C4' energy: -21.107
flat angles P-C4'-P energy: -14.534
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -289.093634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.093634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.093634 (E_RNA)
where:
Base-Base interactions energy: -190.470
where: short stacking energy: -97.204
Base-Backbone interact. energy: -0.577
local terms energy: -98.046884
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -15.298
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -16.997
tors. eta vs tors. theta energy: -28.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -284.874527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.874527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.874527 (E_RNA)
where:
Base-Base interactions energy: -190.042
where: short stacking energy: -85.094
Base-Backbone interact. energy: -0.101
local terms energy: -94.731618
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -20.269
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -23.570
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: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -259.634892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.634892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.634892 (E_RNA)
where:
Base-Base interactions energy: -179.124
where: short stacking energy: -76.550
Base-Backbone interact. energy: -0.887
local terms energy: -79.624569
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -17.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -273.451237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.451237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.451237 (E_RNA)
where:
Base-Base interactions energy: -187.266
where: short stacking energy: -81.208
Base-Backbone interact. energy: -0.520
local terms energy: -85.665315
where:
bonds (distance) C4'-P energy: -17.840
bonds (distance) P-C4' energy: -21.391
flat angles C4'-P-C4' energy: -16.602
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -22.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -263.682200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.682200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.682200 (E_RNA)
where:
Base-Base interactions energy: -175.172
where: short stacking energy: -79.252
Base-Backbone interact. energy: -0.248
local terms energy: -88.261934
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -17.818
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -22.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -159.294265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.294265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.294265 (E_RNA)
where:
Base-Base interactions energy: -98.894
where: short stacking energy: -60.224
Base-Backbone interact. energy: -0.327
local terms energy: -60.072695
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -1.103
tors. eta vs tors. theta energy: -9.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -111.790587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.790587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.790587 (E_RNA)
where:
Base-Base interactions energy: -42.463
where: short stacking energy: -42.463
Base-Backbone interact. energy: 1.167
local terms energy: -70.495207
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -114.082170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.082170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.082170 (E_RNA)
where:
Base-Base interactions energy: -44.973
where: short stacking energy: -41.898
Base-Backbone interact. energy: -0.625
local terms energy: -68.484013
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -17.542
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -4.836
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -312.186381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.186381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.186381 (E_RNA)
where:
Base-Base interactions energy: -212.255
where: short stacking energy: -90.601
Base-Backbone interact. energy: -0.417
local terms energy: -99.514433
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -28.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -309.054605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.054605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.054605 (E_RNA)
where:
Base-Base interactions energy: -212.271
where: short stacking energy: -92.256
Base-Backbone interact. energy: -0.409
local terms energy: -96.374569
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -21.780
flat angles P-C4'-P energy: -11.694
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: 3, replica: 10
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -270.150319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.150319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.150319 (E_RNA)
where:
Base-Base interactions energy: -177.312
where: short stacking energy: -79.014
Base-Backbone interact. energy: -0.110
local terms energy: -92.728371
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -24.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -293.392675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.392675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.392675 (E_RNA)
where:
Base-Base interactions energy: -190.725
where: short stacking energy: -96.831
Base-Backbone interact. energy: -0.016
local terms energy: -102.651263
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -21.563
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -31.270
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: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -267.389909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.389909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.389909 (E_RNA)
where:
Base-Base interactions energy: -179.959
where: short stacking energy: -92.392
Base-Backbone interact. energy: -0.593
local terms energy: -86.838193
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -17.260
tors. eta vs tors. theta energy: -23.363
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: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -279.256971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.256971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.256971 (E_RNA)
where:
Base-Base interactions energy: -193.837
where: short stacking energy: -78.460
Base-Backbone interact. energy: -0.328
local terms energy: -85.091835
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -23.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -252.915050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.915050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.915050 (E_RNA)
where:
Base-Base interactions energy: -166.801
where: short stacking energy: -90.470
Base-Backbone interact. energy: -0.022
local terms energy: -86.091905
where:
bonds (distance) C4'-P energy: -7.716
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -20.340
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -27.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -168.897134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.897134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.897134 (E_RNA)
where:
Base-Base interactions energy: -101.650
where: short stacking energy: -51.857
Base-Backbone interact. energy: -0.727
local terms energy: -66.519692
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -6.568
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -11.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -102.738799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.738799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.738799 (E_RNA)
where:
Base-Base interactions energy: -39.356
where: short stacking energy: -36.918
Base-Backbone interact. energy: -0.839
local terms energy: -62.543942
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -119.982066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.982066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.982066 (E_RNA)
where:
Base-Base interactions energy: -63.884
where: short stacking energy: -33.408
Base-Backbone interact. energy: -0.063
local terms energy: -56.035669
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -310.708545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.708545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.708545 (E_RNA)
where:
Base-Base interactions energy: -211.281
where: short stacking energy: -87.341
Base-Backbone interact. energy: -0.237
local terms energy: -99.190066
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -23.687
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: 9
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -308.384446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.384446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.384446 (E_RNA)
where:
Base-Base interactions energy: -215.721
where: short stacking energy: -96.203
Base-Backbone interact. energy: -0.110
local terms energy: -92.552695
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -21.818
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -23.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -270.992196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.992196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.992196 (E_RNA)
where:
Base-Base interactions energy: -185.938
where: short stacking energy: -82.462
Base-Backbone interact. energy: -0.007
local terms energy: -85.047076
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -11.344
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: 4, replica: 10
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -273.263311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.263311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.263311 (E_RNA)
where:
Base-Base interactions energy: -184.265
where: short stacking energy: -88.742
Base-Backbone interact. energy: -0.426
local terms energy: -88.572595
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -14.874
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: 5, replica: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -291.498672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.498672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.498672 (E_RNA)
where:
Base-Base interactions energy: -208.445
where: short stacking energy: -80.634
Base-Backbone interact. energy: -0.145
local terms energy: -82.908768
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -23.520
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: 6, replica: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -264.326992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.326992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.326992 (E_RNA)
where:
Base-Base interactions energy: -178.750
where: short stacking energy: -83.204
Base-Backbone interact. energy: 1.306
local terms energy: -86.882223
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -15.701
tors. eta vs tors. theta energy: -19.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -245.489618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.489618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.489618 (E_RNA)
where:
Base-Base interactions energy: -165.550
where: short stacking energy: -77.678
Base-Backbone interact. energy: -0.008
local terms energy: -79.931587
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -20.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -158.350008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.350008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.350008 (E_RNA)
where:
Base-Base interactions energy: -90.477
where: short stacking energy: -53.835
Base-Backbone interact. energy: -0.248
local terms energy: -67.624985
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -5.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -130.460636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.460636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.460636 (E_RNA)
where:
Base-Base interactions energy: -77.851
where: short stacking energy: -46.371
Base-Backbone interact. energy: -0.246
local terms energy: -52.363798
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -2.780
tors. eta vs tors. theta energy: -2.271
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: 214
Temperature: 1.350000
Total energy: -110.737314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.737314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.737314 (E_RNA)
where:
Base-Base interactions energy: -47.265
where: short stacking energy: -45.394
Base-Backbone interact. energy: -0.467
local terms energy: -63.004828
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -2.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -307.402987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.402987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.402987 (E_RNA)
where:
Base-Base interactions energy: -215.583
where: short stacking energy: -91.214
Base-Backbone interact. energy: 0.349
local terms energy: -92.168629
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -22.141
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -22.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -302.274823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.274823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.274823 (E_RNA)
where:
Base-Base interactions energy: -208.467
where: short stacking energy: -94.845
Base-Backbone interact. energy: -0.781
local terms energy: -93.026577
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -15.443
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: 215
Temperature: 1.000000
Total energy: -271.383378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.383378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.383378 (E_RNA)
where:
Base-Base interactions energy: -179.947
where: short stacking energy: -89.494
Base-Backbone interact. energy: -0.107
local terms energy: -91.329612
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -23.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -296.175494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.175494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.175494 (E_RNA)
where:
Base-Base interactions energy: -206.090
where: short stacking energy: -86.556
Base-Backbone interact. energy: -0.369
local terms energy: -89.715850
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -22.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -270.046797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.046797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.046797 (E_RNA)
where:
Base-Base interactions energy: -183.881
where: short stacking energy: -77.304
Base-Backbone interact. energy: -0.621
local terms energy: -85.545562
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -20.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -260.910712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.910712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.910712 (E_RNA)
where:
Base-Base interactions energy: -177.429
where: short stacking energy: -79.122
Base-Backbone interact. energy: -0.016
local terms energy: -83.466181
where:
bonds (distance) C4'-P energy: -9.423
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -23.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -257.126974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.126974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.126974 (E_RNA)
where:
Base-Base interactions energy: -171.058
where: short stacking energy: -77.173
Base-Backbone interact. energy: -0.017
local terms energy: -86.051722
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -23.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -154.844425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.844425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.844425 (E_RNA)
where:
Base-Base interactions energy: -86.117
where: short stacking energy: -52.332
Base-Backbone interact. energy: 0.381
local terms energy: -69.107851
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -16.742
flat angles C4'-P-C4' energy: -19.776
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -9.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -91.180367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.180367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.180367 (E_RNA)
where:
Base-Base interactions energy: -32.271
where: short stacking energy: -28.983
Base-Backbone interact. energy: -0.055
local terms energy: -58.854281
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -11.299
tors. eta vs tors. theta energy: 5.685
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: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -100.986473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.986473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.986473 (E_RNA)
where:
Base-Base interactions energy: -46.758
where: short stacking energy: -27.187
Base-Backbone interact. energy: -0.299
local terms energy: -53.928882
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -9.802
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -308.829472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.829472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.829472 (E_RNA)
where:
Base-Base interactions energy: -209.197
where: short stacking energy: -83.642
Base-Backbone interact. energy: -0.061
local terms energy: -99.571516
where:
bonds (distance) C4'-P energy: -19.560
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -14.927
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: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -310.258421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.258421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.258421 (E_RNA)
where:
Base-Base interactions energy: -211.462
where: short stacking energy: -87.796
Base-Backbone interact. energy: -0.855
local terms energy: -97.941967
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -24.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -293.387662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.387662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.387662 (E_RNA)
where:
Base-Base interactions energy: -202.769
where: short stacking energy: -87.828
Base-Backbone interact. energy: 0.053
local terms energy: -90.672500
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -16.379
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -275.454780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.454780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.454780 (E_RNA)
where:
Base-Base interactions energy: -182.894
where: short stacking energy: -99.234
Base-Backbone interact. energy: -0.341
local terms energy: -92.219415
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -20.438
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -28.599
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: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -273.904870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.904870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.904870 (E_RNA)
where:
Base-Base interactions energy: -180.636
where: short stacking energy: -95.421
Base-Backbone interact. energy: -0.006
local terms energy: -93.263005
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -21.127
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -25.352
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: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -264.531701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.531701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.531701 (E_RNA)
where:
Base-Base interactions energy: -176.163
where: short stacking energy: -84.224
Base-Backbone interact. energy: -0.132
local terms energy: -88.236299
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -24.970
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: 7, replica: 1
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -264.610866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.610866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.610866 (E_RNA)
where:
Base-Base interactions energy: -180.810
where: short stacking energy: -65.957
Base-Backbone interact. energy: -0.212
local terms energy: -83.589093
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -12.623
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: 8, replica: 3
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -166.562163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.562163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.562163 (E_RNA)
where:
Base-Base interactions energy: -93.109
where: short stacking energy: -54.687
Base-Backbone interact. energy: -0.652
local terms energy: -72.801038
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -11.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -107.197672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.197672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.197672 (E_RNA)
where:
Base-Base interactions energy: -41.597
where: short stacking energy: -24.733
Base-Backbone interact. energy: -0.796
local terms energy: -64.804563
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -12.061
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: 5
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -119.766345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.766345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.766345 (E_RNA)
where:
Base-Base interactions energy: -59.411
where: short stacking energy: -26.099
Base-Backbone interact. energy: -0.620
local terms energy: -59.735400
where:
bonds (distance) C4'-P energy: -18.677
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -303.911767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.911767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.911767 (E_RNA)
where:
Base-Base interactions energy: -213.147
where: short stacking energy: -84.135
Base-Backbone interact. energy: 0.133
local terms energy: -90.897620
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -20.512
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -304.322058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.322058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.322058 (E_RNA)
where:
Base-Base interactions energy: -212.046
where: short stacking energy: -86.775
Base-Backbone interact. energy: -1.327
local terms energy: -90.948771
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -22.453
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -22.711
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: 217
Temperature: 1.000000
Total energy: -304.654914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.654914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.654914 (E_RNA)
where:
Base-Base interactions energy: -203.963
where: short stacking energy: -92.986
Base-Backbone interact. energy: -0.106
local terms energy: -100.586385
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -25.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -270.829653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.829653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.829653 (E_RNA)
where:
Base-Base interactions energy: -174.082
where: short stacking energy: -81.102
Base-Backbone interact. energy: -0.313
local terms energy: -96.434192
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -22.365
flat angles P-C4'-P energy: -14.387
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: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -245.564537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.564537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.564537 (E_RNA)
where:
Base-Base interactions energy: -155.347
where: short stacking energy: -79.764
Base-Backbone interact. energy: -1.564
local terms energy: -88.653843
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -11.398
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: 6, replica: 10
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -268.295224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.295224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.295224 (E_RNA)
where:
Base-Base interactions energy: -179.393
where: short stacking energy: -90.316
Base-Backbone interact. energy: 0.135
local terms energy: -89.036992
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -13.616
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: 7, replica: 1
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -241.835404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.835404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.835404 (E_RNA)
where:
Base-Base interactions energy: -166.884
where: short stacking energy: -78.792
Base-Backbone interact. energy: -0.206
local terms energy: -74.746078
where:
bonds (distance) C4'-P energy: -9.332
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -23.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -101.259300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.259300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.259300 (E_RNA)
where:
Base-Base interactions energy: -39.692
where: short stacking energy: -31.307
Base-Backbone interact. energy: -0.128
local terms energy: -61.439452
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -4.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -163.771124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.771124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.771124 (E_RNA)
where:
Base-Base interactions energy: -99.724
where: short stacking energy: -51.795
Base-Backbone interact. energy: 0.916
local terms energy: -64.962615
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -9.970
tors. eta vs tors. theta energy: -7.904
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: 5
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -91.594905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.594905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.594905 (E_RNA)
where:
Base-Base interactions energy: -35.656
where: short stacking energy: -33.663
Base-Backbone interact. energy: -1.291
local terms energy: -54.647950
where:
bonds (distance) C4'-P energy: -8.176
bonds (distance) P-C4' energy: -20.248
flat angles C4'-P-C4' energy: -17.358
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -2.645
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: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -309.358255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.358255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.358255 (E_RNA)
where:
Base-Base interactions energy: -216.246
where: short stacking energy: -90.622
Base-Backbone interact. energy: -1.085
local terms energy: -92.027438
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -10.749
tors. eta vs tors. theta energy: -23.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -292.489388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.489388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.489388 (E_RNA)
where:
Base-Base interactions energy: -202.102
where: short stacking energy: -78.678
Base-Backbone interact. energy: -0.372
local terms energy: -90.014562
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -21.305
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: 218
Temperature: 1.000000
Total energy: -292.820812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.820812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.820812 (E_RNA)
where:
Base-Base interactions energy: -205.168
where: short stacking energy: -87.901
Base-Backbone interact. energy: -0.005
local terms energy: -87.647735
where:
bonds (distance) C4'-P energy: -11.088
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -19.113
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -24.162
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: 4, replica: 4
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -277.206481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.206481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.206481 (E_RNA)
where:
Base-Base interactions energy: -186.043
where: short stacking energy: -81.676
Base-Backbone interact. energy: -0.001
local terms energy: -91.162227
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -24.732
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: 5, replica: 10
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -278.034662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.034662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.034662 (E_RNA)
where:
Base-Base interactions energy: -183.564
where: short stacking energy: -83.435
Base-Backbone interact. energy: -0.732
local terms energy: -93.738258
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -26.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -265.468645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.468645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.468645 (E_RNA)
where:
Base-Base interactions energy: -183.034
where: short stacking energy: -84.019
Base-Backbone interact. energy: -0.094
local terms energy: -82.341000
where:
bonds (distance) C4'-P energy: -18.031
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -249.226066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.226066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.226066 (E_RNA)
where:
Base-Base interactions energy: -156.466
where: short stacking energy: -74.588
Base-Backbone interact. energy: -0.113
local terms energy: -92.646775
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -22.073
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -24.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -111.850462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.850462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.850462 (E_RNA)
where:
Base-Base interactions energy: -47.061
where: short stacking energy: -45.215
Base-Backbone interact. energy: 0.271
local terms energy: -65.060593
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -9.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -95.206929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.206929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.206929 (E_RNA)
where:
Base-Base interactions energy: -29.159
where: short stacking energy: -23.967
Base-Backbone interact. energy: -0.669
local terms energy: -65.378679
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -2.559
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: 10, replica: 3
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -139.774287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.774287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.774287 (E_RNA)
where:
Base-Base interactions energy: -76.445
where: short stacking energy: -40.161
Base-Backbone interact. energy: -0.180
local terms energy: -63.149611
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -10.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -315.847016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.847016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.847016 (E_RNA)
where:
Base-Base interactions energy: -221.259
where: short stacking energy: -83.516
Base-Backbone interact. energy: -0.258
local terms energy: -94.330379
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -20.965
flat angles P-C4'-P energy: -13.419
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -300.770848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.770848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.770848 (E_RNA)
where:
Base-Base interactions energy: -207.928
where: short stacking energy: -85.091
Base-Backbone interact. energy: -0.090
local terms energy: -92.753722
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -25.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -296.253079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.253079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.253079 (E_RNA)
where:
Base-Base interactions energy: -204.883
where: short stacking energy: -91.603
Base-Backbone interact. energy: -0.001
local terms energy: -91.368457
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -23.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -291.326965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.326965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.326965 (E_RNA)
where:
Base-Base interactions energy: -190.709
where: short stacking energy: -86.317
Base-Backbone interact. energy: -0.173
local terms energy: -100.444777
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -25.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -269.646123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.646123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.646123 (E_RNA)
where:
Base-Base interactions energy: -180.407
where: short stacking energy: -92.250
Base-Backbone interact. energy: -0.547
local terms energy: -88.692946
where:
bonds (distance) C4'-P energy: -20.006
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -25.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -265.030594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.030594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.030594 (E_RNA)
where:
Base-Base interactions energy: -171.329
where: short stacking energy: -79.096
Base-Backbone interact. energy: -0.161
local terms energy: -93.540573
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -19.568
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: 2
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -259.573456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.573456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.573456 (E_RNA)
where:
Base-Base interactions energy: -182.080
where: short stacking energy: -84.987
Base-Backbone interact. energy: -0.527
local terms energy: -76.965954
where:
bonds (distance) C4'-P energy: -12.109
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -21.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -106.205608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.205608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.205608 (E_RNA)
where:
Base-Base interactions energy: -46.037
where: short stacking energy: -34.164
Base-Backbone interact. energy: -0.225
local terms energy: -59.944087
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: 0.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -94.788282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.788282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.788282 (E_RNA)
where:
Base-Base interactions energy: -33.344
where: short stacking energy: -33.344
Base-Backbone interact. energy: -0.209
local terms energy: -61.235015
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -123.326658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.326658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.326658 (E_RNA)
where:
Base-Base interactions energy: -64.430
where: short stacking energy: -24.750
Base-Backbone interact. energy: -0.422
local terms energy: -58.474104
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -7.489
tors. eta vs tors. theta energy: 1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -308.987114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.987114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.987114 (E_RNA)
where:
Base-Base interactions energy: -208.741
where: short stacking energy: -90.772
Base-Backbone interact. energy: -0.176
local terms energy: -100.069561
where:
bonds (distance) C4'-P energy: -22.515
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -20.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -307.356804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.356804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.356804 (E_RNA)
where:
Base-Base interactions energy: -215.051
where: short stacking energy: -91.260
Base-Backbone interact. energy: -1.049
local terms energy: -91.256977
where:
bonds (distance) C4'-P energy: -17.261
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -20.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -291.018180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.018180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.018180 (E_RNA)
where:
Base-Base interactions energy: -200.008
where: short stacking energy: -92.332
Base-Backbone interact. energy: -0.976
local terms energy: -90.034055
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -26.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -289.701096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.701096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.701096 (E_RNA)
where:
Base-Base interactions energy: -200.465
where: short stacking energy: -85.775
Base-Backbone interact. energy: 0.144
local terms energy: -89.380292
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -24.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -267.216738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.216738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.216738 (E_RNA)
where:
Base-Base interactions energy: -178.196
where: short stacking energy: -79.281
Base-Backbone interact. energy: -0.036
local terms energy: -88.984638
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -21.660
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -23.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -254.086138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.086138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.086138 (E_RNA)
where:
Base-Base interactions energy: -177.305
where: short stacking energy: -72.764
Base-Backbone interact. energy: 0.411
local terms energy: -77.192106
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -12.615
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: 7, replica: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -262.463876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.463876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.463876 (E_RNA)
where:
Base-Base interactions energy: -175.727
where: short stacking energy: -86.063
Base-Backbone interact. energy: 0.116
local terms energy: -86.853493
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -14.335
tors. eta vs tors. theta energy: -22.639
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: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -107.730430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.730430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.730430 (E_RNA)
where:
Base-Base interactions energy: -43.593
where: short stacking energy: -43.693
Base-Backbone interact. energy: -1.069
local terms energy: -63.068281
where:
bonds (distance) C4'-P energy: -8.385
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -7.016
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: 9, replica: 3
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -122.458334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.458334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.458334 (E_RNA)
where:
Base-Base interactions energy: -60.492
where: short stacking energy: -32.465
Base-Backbone interact. energy: -0.215
local terms energy: -61.751314
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -10.524
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -92.526623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.526623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.526623 (E_RNA)
where:
Base-Base interactions energy: -27.017
where: short stacking energy: -21.733
Base-Backbone interact. energy: -0.147
local terms energy: -65.361756
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -21.422
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -0.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -305.754889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.754889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.754889 (E_RNA)
where:
Base-Base interactions energy: -214.666
where: short stacking energy: -91.608
Base-Backbone interact. energy: -0.353
local terms energy: -90.735500
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -17.810
flat angles C4'-P-C4' energy: -19.256
flat angles P-C4'-P energy: -13.322
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: 2, replica: 10
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -306.537966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.537966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.537966 (E_RNA)
where:
Base-Base interactions energy: -205.922
where: short stacking energy: -97.707
Base-Backbone interact. energy: -0.010
local terms energy: -100.605111
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -20.843
flat angles P-C4'-P energy: -16.648
tors. eta vs tors. theta energy: -22.840
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: 7
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -295.405630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.405630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.405630 (E_RNA)
where:
Base-Base interactions energy: -205.698
where: short stacking energy: -93.724
Base-Backbone interact. energy: -0.093
local terms energy: -89.614699
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -20.167
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -9.285
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: 4, replica: 9
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -292.266206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.266206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.266206 (E_RNA)
where:
Base-Base interactions energy: -201.985
where: short stacking energy: -88.487
Base-Backbone interact. energy: -0.039
local terms energy: -90.242534
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -20.435
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -23.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -276.611279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.611279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.611279 (E_RNA)
where:
Base-Base interactions energy: -183.998
where: short stacking energy: -97.679
Base-Backbone interact. energy: 0.019
local terms energy: -92.632578
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -17.944
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -27.950
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: 1
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -271.648582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.648582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.648582 (E_RNA)
where:
Base-Base interactions energy: -185.364
where: short stacking energy: -82.889
Base-Backbone interact. energy: -0.379
local terms energy: -85.905775
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -21.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -272.540393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.540393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.540393 (E_RNA)
where:
Base-Base interactions energy: -179.648
where: short stacking energy: -88.143
Base-Backbone interact. energy: 2.815
local terms energy: -95.707438
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -27.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -101.288564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.288564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.288564 (E_RNA)
where:
Base-Base interactions energy: -41.741
where: short stacking energy: -41.741
Base-Backbone interact. energy: -0.358
local terms energy: -59.189037
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -9.405
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -107.786641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.786641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.786641 (E_RNA)
where:
Base-Base interactions energy: -30.999
where: short stacking energy: -30.999
Base-Backbone interact. energy: -0.529
local terms energy: -76.258837
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -21.733
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -84.657979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.657979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.657979 (E_RNA)
where:
Base-Base interactions energy: -31.249
where: short stacking energy: -28.483
Base-Backbone interact. energy: -0.532
local terms energy: -52.877166
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: 3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -289.267643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.267643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.267643 (E_RNA)
where:
Base-Base interactions energy: -194.687
where: short stacking energy: -86.600
Base-Backbone interact. energy: -0.010
local terms energy: -94.570318
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -22.535
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -22.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -302.994629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.994629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.994629 (E_RNA)
where:
Base-Base interactions energy: -208.990
where: short stacking energy: -94.123
Base-Backbone interact. energy: -0.363
local terms energy: -93.641623
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -22.051
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -25.764
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: 9
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -292.929445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.929445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.929445 (E_RNA)
where:
Base-Base interactions energy: -197.902
where: short stacking energy: -87.588
Base-Backbone interact. energy: -0.024
local terms energy: -95.003147
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -20.496
flat angles C4'-P-C4' energy: -19.699
flat angles P-C4'-P energy: -15.281
tors. eta vs tors. theta energy: -24.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -291.932469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.932469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.932469 (E_RNA)
where:
Base-Base interactions energy: -194.540
where: short stacking energy: -81.741
Base-Backbone interact. energy: -0.017
local terms energy: -97.375062
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -19.925
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -16.607
tors. eta vs tors. theta energy: -26.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -265.224582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.224582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.224582 (E_RNA)
where:
Base-Base interactions energy: -176.164
where: short stacking energy: -73.451
Base-Backbone interact. energy: -0.075
local terms energy: -88.985001
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -21.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -268.051522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.051522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.051522 (E_RNA)
where:
Base-Base interactions energy: -179.471
where: short stacking energy: -85.064
Base-Backbone interact. energy: -0.102
local terms energy: -88.478112
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -20.889
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -24.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -270.653668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.653668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.653668 (E_RNA)
where:
Base-Base interactions energy: -197.876
where: short stacking energy: -80.068
Base-Backbone interact. energy: -0.163
local terms energy: -72.615347
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -10.888
tors. eta vs tors. theta energy: -17.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -104.227151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.227151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.227151 (E_RNA)
where:
Base-Base interactions energy: -36.103
where: short stacking energy: -25.542
Base-Backbone interact. energy: -0.162
local terms energy: -67.962206
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: 0.275
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: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -96.989373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.989373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.989373 (E_RNA)
where:
Base-Base interactions energy: -31.852
where: short stacking energy: -23.884
Base-Backbone interact. energy: -0.495
local terms energy: -64.642333
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: -1.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -102.077539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.077539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.077539 (E_RNA)
where:
Base-Base interactions energy: -40.680
where: short stacking energy: -38.765
Base-Backbone interact. energy: -0.320
local terms energy: -61.077421
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -14.422
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -8.932
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: 1, replica: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -309.687184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.687184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.687184 (E_RNA)
where:
Base-Base interactions energy: -211.456
where: short stacking energy: -97.605
Base-Backbone interact. energy: -0.048
local terms energy: -98.182576
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -19.358
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -16.320
tors. eta vs tors. theta energy: -26.442
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: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -306.970322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.970322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.970322 (E_RNA)
where:
Base-Base interactions energy: -204.725
where: short stacking energy: -85.670
Base-Backbone interact. energy: -1.429
local terms energy: -100.816031
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -22.795
flat angles C4'-P-C4' energy: -19.735
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -23.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -298.685344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.685344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.685344 (E_RNA)
where:
Base-Base interactions energy: -202.097
where: short stacking energy: -92.708
Base-Backbone interact. energy: -0.630
local terms energy: -95.957745
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -24.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -286.897395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.897395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.897395 (E_RNA)
where:
Base-Base interactions energy: -194.392
where: short stacking energy: -83.501
Base-Backbone interact. energy: -0.563
local terms energy: -91.941909
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -23.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -274.222413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.222413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.222413 (E_RNA)
where:
Base-Base interactions energy: -183.338
where: short stacking energy: -80.929
Base-Backbone interact. energy: -0.410
local terms energy: -90.473730
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -20.410
flat angles C4'-P-C4' energy: -20.931
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -24.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -270.102098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.102098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.102098 (E_RNA)
where:
Base-Base interactions energy: -180.353
where: short stacking energy: -82.064
Base-Backbone interact. energy: -0.677
local terms energy: -89.072481
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -17.085
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -14.053
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: 7, replica: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -252.826809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.826809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.826809 (E_RNA)
where:
Base-Base interactions energy: -170.395
where: short stacking energy: -79.009
Base-Backbone interact. energy: -0.078
local terms energy: -82.353936
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -4.307
tors. eta vs tors. theta energy: -27.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -112.427029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.427029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.427029 (E_RNA)
where:
Base-Base interactions energy: -46.647
where: short stacking energy: -43.179
Base-Backbone interact. energy: -0.706
local terms energy: -65.074163
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -4.483
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: 3
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -103.652687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.652687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.652687 (E_RNA)
where:
Base-Base interactions energy: -43.065
where: short stacking energy: -43.065
Base-Backbone interact. energy: -0.018
local terms energy: -60.569833
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -14.942
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -6.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -90.297554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.297554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.297554 (E_RNA)
where:
Base-Base interactions energy: -30.468
where: short stacking energy: -21.078
Base-Backbone interact. energy: -0.295
local terms energy: -59.534570
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -21.321
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: 4.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -307.568603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.568603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.568603 (E_RNA)
where:
Base-Base interactions energy: -202.968
where: short stacking energy: -96.249
Base-Backbone interact. energy: -0.007
local terms energy: -104.594020
where:
bonds (distance) C4'-P energy: -21.526
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -22.840
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -28.265
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: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -293.904929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.904929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.904929 (E_RNA)
where:
Base-Base interactions energy: -207.742
where: short stacking energy: -77.581
Base-Backbone interact. energy: 0.215
local terms energy: -86.378067
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -23.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -300.134758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.134758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.134758 (E_RNA)
where:
Base-Base interactions energy: -204.601
where: short stacking energy: -94.333
Base-Backbone interact. energy: -0.286
local terms energy: -95.248395
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -13.831
tors. eta vs tors. theta energy: -23.832
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: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -292.352088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.352088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.352088 (E_RNA)
where:
Base-Base interactions energy: -201.419
where: short stacking energy: -89.832
Base-Backbone interact. energy: -0.021
local terms energy: -90.911657
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -20.697
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: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -269.943719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.943719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.943719 (E_RNA)
where:
Base-Base interactions energy: -184.495
where: short stacking energy: -86.260
Base-Backbone interact. energy: -0.104
local terms energy: -85.344531
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -14.075
tors. eta vs tors. theta energy: -23.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -258.123270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.123270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.123270 (E_RNA)
where:
Base-Base interactions energy: -174.443
where: short stacking energy: -83.556
Base-Backbone interact. energy: -0.397
local terms energy: -83.283252
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -13.982
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: 7, replica: 2
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -251.571941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.571941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.571941 (E_RNA)
where:
Base-Base interactions energy: -163.576
where: short stacking energy: -79.818
Base-Backbone interact. energy: -0.192
local terms energy: -87.804474
where:
bonds (distance) C4'-P energy: -17.925
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -25.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -99.167318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.167318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.167318 (E_RNA)
where:
Base-Base interactions energy: -43.055
where: short stacking energy: -30.742
Base-Backbone interact. energy: 1.304
local terms energy: -57.417198
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -4.782
tors. eta vs tors. theta energy: -2.153
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: 5
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -94.404861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.404861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.404861 (E_RNA)
where:
Base-Base interactions energy: -44.823
where: short stacking energy: -37.195
Base-Backbone interact. energy: -0.767
local terms energy: -48.814823
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -10.296
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -2.193
tors. eta vs tors. theta energy: -1.330
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: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -95.869335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.869335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.869335 (E_RNA)
where:
Base-Base interactions energy: -50.390
where: short stacking energy: -25.707
Base-Backbone interact. energy: -0.329
local terms energy: -45.150445
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -15.430
flat angles C4'-P-C4' energy: -10.638
flat angles P-C4'-P energy: -3.632
tors. eta vs tors. theta energy: 5.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -313.989522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.989522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.989522 (E_RNA)
where:
Base-Base interactions energy: -213.074
where: short stacking energy: -96.671
Base-Backbone interact. energy: -0.008
local terms energy: -100.907657
where:
bonds (distance) C4'-P energy: -20.354
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -22.966
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -28.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -294.570977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.570977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.570977 (E_RNA)
where:
Base-Base interactions energy: -200.626
where: short stacking energy: -91.506
Base-Backbone interact. energy: -0.111
local terms energy: -93.833485
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -12.277
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -22.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -291.916830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.916830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.916830 (E_RNA)
where:
Base-Base interactions energy: -207.966
where: short stacking energy: -74.611
Base-Backbone interact. energy: -0.188
local terms energy: -83.763016
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -21.227
flat angles P-C4'-P energy: -10.538
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: 4, replica: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -288.750197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.750197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.750197 (E_RNA)
where:
Base-Base interactions energy: -206.033
where: short stacking energy: -83.652
Base-Backbone interact. energy: -0.630
local terms energy: -82.087110
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -17.814
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -15.708
tors. eta vs tors. theta energy: -19.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -261.931172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.931172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.931172 (E_RNA)
where:
Base-Base interactions energy: -173.138
where: short stacking energy: -83.550
Base-Backbone interact. energy: -0.569
local terms energy: -88.224429
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -29.378
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: 6, replica: 1
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -254.760345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.760345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.760345 (E_RNA)
where:
Base-Base interactions energy: -179.075
where: short stacking energy: -80.272
Base-Backbone interact. energy: -0.376
local terms energy: -75.309776
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -9.271
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -265.881188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.881188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.881188 (E_RNA)
where:
Base-Base interactions energy: -169.527
where: short stacking energy: -75.126
Base-Backbone interact. energy: -0.625
local terms energy: -95.729299
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -15.390
tors. eta vs tors. theta energy: -22.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -105.186462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.186462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.186462 (E_RNA)
where:
Base-Base interactions energy: -44.405
where: short stacking energy: -44.275
Base-Backbone interact. energy: -0.034
local terms energy: -60.747357
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -5.280
tors. eta vs tors. theta energy: -9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -98.731923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.731923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.731923 (E_RNA)
where:
Base-Base interactions energy: -31.471
where: short stacking energy: -31.471
Base-Backbone interact. energy: -0.177
local terms energy: -67.084196
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -19.224
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -3.634
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: 225
Temperature: 1.350000
Total energy: -98.501425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.501425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.501425 (E_RNA)
where:
Base-Base interactions energy: -32.922
where: short stacking energy: -32.737
Base-Backbone interact. energy: -0.158
local terms energy: -65.421049
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -18.408
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -1.505
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: 7
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -309.004910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.004910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.004910 (E_RNA)
where:
Base-Base interactions energy: -209.571
where: short stacking energy: -88.787
Base-Backbone interact. energy: -0.876
local terms energy: -98.556993
where:
bonds (distance) C4'-P energy: -18.368
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -23.587
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -24.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -307.120020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.120020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.120020 (E_RNA)
where:
Base-Base interactions energy: -213.391
where: short stacking energy: -92.054
Base-Backbone interact. energy: -0.594
local terms energy: -93.134742
where:
bonds (distance) C4'-P energy: -19.521
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -20.356
flat angles P-C4'-P energy: -13.449
tors. eta vs tors. theta energy: -24.904
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: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -296.245617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.245617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.245617 (E_RNA)
where:
Base-Base interactions energy: -204.776
where: short stacking energy: -85.069
Base-Backbone interact. energy: -0.868
local terms energy: -90.601419
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -19.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -276.128001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.128001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.128001 (E_RNA)
where:
Base-Base interactions energy: -180.729
where: short stacking energy: -94.990
Base-Backbone interact. energy: -1.076
local terms energy: -94.323456
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -27.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -263.235292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.235292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.235292 (E_RNA)
where:
Base-Base interactions energy: -176.705
where: short stacking energy: -81.633
Base-Backbone interact. energy: -0.111
local terms energy: -86.418867
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -17.842
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -21.535
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: 1
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -265.412352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.412352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.412352 (E_RNA)
where:
Base-Base interactions energy: -176.338
where: short stacking energy: -85.024
Base-Backbone interact. energy: -0.330
local terms energy: -88.745172
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -25.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -258.807714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.807714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.807714 (E_RNA)
where:
Base-Base interactions energy: -175.605
where: short stacking energy: -75.789
Base-Backbone interact. energy: -0.143
local terms energy: -83.058883
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -13.350
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: 8, replica: 6
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -119.294949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.294949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.294949 (E_RNA)
where:
Base-Base interactions energy: -53.971
where: short stacking energy: -49.793
Base-Backbone interact. energy: -0.172
local terms energy: -65.152231
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -8.368
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -11.525
tors. eta vs tors. theta energy: -11.414
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: 226
Temperature: 1.300000
Total energy: -93.580528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.580528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.580528 (E_RNA)
where:
Base-Base interactions energy: -40.919
where: short stacking energy: -33.969
Base-Backbone interact. energy: 0.818
local terms energy: -53.478806
where:
bonds (distance) C4'-P energy: -11.362
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -13.570
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: 1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -91.971325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.971325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.971325 (E_RNA)
where:
Base-Base interactions energy: -31.969
where: short stacking energy: -27.851
Base-Backbone interact. energy: -0.375
local terms energy: -59.627779
where:
bonds (distance) C4'-P energy: -18.235
bonds (distance) P-C4' energy: -21.979
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: 0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -307.416850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.416850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.416850 (E_RNA)
where:
Base-Base interactions energy: -210.976
where: short stacking energy: -86.643
Base-Backbone interact. energy: 0.827
local terms energy: -97.268161
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -20.537
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -14.570
tors. eta vs tors. theta energy: -24.623
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: 9
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -309.328838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.328838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.328838 (E_RNA)
where:
Base-Base interactions energy: -218.846
where: short stacking energy: -90.508
Base-Backbone interact. energy: -0.314
local terms energy: -90.168373
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -19.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -301.701088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.701088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.701088 (E_RNA)
where:
Base-Base interactions energy: -203.861
where: short stacking energy: -89.937
Base-Backbone interact. energy: -0.012
local terms energy: -97.828679
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -16.394
tors. eta vs tors. theta energy: -25.601
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: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -266.648395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.648395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.648395 (E_RNA)
where:
Base-Base interactions energy: -178.983
where: short stacking energy: -82.020
Base-Backbone interact. energy: -0.710
local terms energy: -86.954729
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -264.417866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.417866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.417866 (E_RNA)
where:
Base-Base interactions energy: -172.468
where: short stacking energy: -89.385
Base-Backbone interact. energy: -0.048
local terms energy: -91.901638
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -12.249
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -24.620
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: 2
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -252.595839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.595839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.595839 (E_RNA)
where:
Base-Base interactions energy: -163.807
where: short stacking energy: -76.204
Base-Backbone interact. energy: -1.047
local terms energy: -87.741295
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -21.955
flat angles C4'-P-C4' energy: -19.115
flat angles P-C4'-P energy: -11.549
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: 7, replica: 1
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -247.507131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.507131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.507131 (E_RNA)
where:
Base-Base interactions energy: -171.404
where: short stacking energy: -74.048
Base-Backbone interact. energy: 0.542
local terms energy: -76.644255
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -10.227
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -13.743
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: 8, replica: 3
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -99.218493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.218493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.218493 (E_RNA)
where:
Base-Base interactions energy: -46.414
where: short stacking energy: -43.761
Base-Backbone interact. energy: -0.294
local terms energy: -52.510667
where:
bonds (distance) C4'-P energy: -8.045
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -4.297
tors. eta vs tors. theta energy: -4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -93.929226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.929226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.929226 (E_RNA)
where:
Base-Base interactions energy: -40.196
where: short stacking energy: -33.474
Base-Backbone interact. energy: 0.527
local terms energy: -54.260237
where:
bonds (distance) C4'-P energy: -17.132
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -6.279
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: 5
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -93.611826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.611826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.611826 (E_RNA)
where:
Base-Base interactions energy: -38.074
where: short stacking energy: -29.675
Base-Backbone interact. energy: -0.164
local terms energy: -55.373510
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: 0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -307.973244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.973244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.973244 (E_RNA)
where:
Base-Base interactions energy: -215.490
where: short stacking energy: -98.674
Base-Backbone interact. energy: -0.138
local terms energy: -92.344842
where:
bonds (distance) C4'-P energy: -17.130
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -25.237
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: 228
Temperature: 0.950000
Total energy: -297.898888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.898888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.898888 (E_RNA)
where:
Base-Base interactions energy: -200.398
where: short stacking energy: -82.078
Base-Backbone interact. energy: -1.254
local terms energy: -96.247156
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -20.777
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -21.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -272.922217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.922217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.922217 (E_RNA)
where:
Base-Base interactions energy: -184.899
where: short stacking energy: -76.828
Base-Backbone interact. energy: 0.733
local terms energy: -88.756306
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -20.156
flat angles C4'-P-C4' energy: -17.048
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -19.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -290.028468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.028468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.028468 (E_RNA)
where:
Base-Base interactions energy: -203.585
where: short stacking energy: -95.019
Base-Backbone interact. energy: -1.058
local terms energy: -85.386133
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -12.174
tors. eta vs tors. theta energy: -23.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -279.577992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.577992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.577992 (E_RNA)
where:
Base-Base interactions energy: -182.345
where: short stacking energy: -89.903
Base-Backbone interact. energy: -1.125
local terms energy: -96.108490
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -23.622
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -22.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -260.460192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.460192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.460192 (E_RNA)
where:
Base-Base interactions energy: -169.439
where: short stacking energy: -80.850
Base-Backbone interact. energy: -0.492
local terms energy: -90.528946
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -17.724
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -26.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -253.462830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.462830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.462830 (E_RNA)
where:
Base-Base interactions energy: -170.431
where: short stacking energy: -85.484
Base-Backbone interact. energy: -0.080
local terms energy: -82.951343
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -11.392
flat angles P-C4'-P energy: -15.227
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: 8, replica: 3
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -108.724062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.724062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.724062 (E_RNA)
where:
Base-Base interactions energy: -46.080
where: short stacking energy: -45.471
Base-Backbone interact. energy: -0.154
local terms energy: -62.490116
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -4.939
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -106.852779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.852779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.852779 (E_RNA)
where:
Base-Base interactions energy: -42.883
where: short stacking energy: -30.825
Base-Backbone interact. energy: -0.421
local terms energy: -63.548178
where:
bonds (distance) C4'-P energy: -18.197
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -92.165624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.165624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.165624 (E_RNA)
where:
Base-Base interactions energy: -33.391
where: short stacking energy: -33.391
Base-Backbone interact. energy: -0.107
local terms energy: -58.667096
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -4.116
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: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -310.069851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.069851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.069851 (E_RNA)
where:
Base-Base interactions energy: -211.005
where: short stacking energy: -92.040
Base-Backbone interact. energy: -0.051
local terms energy: -99.014343
where:
bonds (distance) C4'-P energy: -18.480
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -22.735
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -23.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -304.994086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.994086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.994086 (E_RNA)
where:
Base-Base interactions energy: -204.221
where: short stacking energy: -87.688
Base-Backbone interact. energy: -1.581
local terms energy: -99.192168
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -22.757
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -21.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -299.404678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.404678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.404678 (E_RNA)
where:
Base-Base interactions energy: -200.543
where: short stacking energy: -92.191
Base-Backbone interact. energy: -0.065
local terms energy: -98.796456
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -25.274
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: 2
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -281.969747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.969747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.969747 (E_RNA)
where:
Base-Base interactions energy: -197.437
where: short stacking energy: -81.296
Base-Backbone interact. energy: -0.429
local terms energy: -84.104017
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -17.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -259.364076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.364076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.364076 (E_RNA)
where:
Base-Base interactions energy: -177.106
where: short stacking energy: -72.668
Base-Backbone interact. energy: -0.099
local terms energy: -82.159160
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -13.152
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: 6, replica: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -268.634385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.634385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.634385 (E_RNA)
where:
Base-Base interactions energy: -195.673
where: short stacking energy: -72.381
Base-Backbone interact. energy: -0.260
local terms energy: -72.702007
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -275.524547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.524547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.524547 (E_RNA)
where:
Base-Base interactions energy: -191.016
where: short stacking energy: -78.048
Base-Backbone interact. energy: -0.686
local terms energy: -83.822408
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -20.168
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -14.289
tors. eta vs tors. theta energy: -17.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -105.248078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.248078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.248078 (E_RNA)
where:
Base-Base interactions energy: -46.167
where: short stacking energy: -45.052
Base-Backbone interact. energy: -0.806
local terms energy: -58.275423
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -13.575
flat angles P-C4'-P energy: -7.115
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: 9, replica: 3
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -107.466174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.466174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.466174 (E_RNA)
where:
Base-Base interactions energy: -43.020
where: short stacking energy: -42.672
Base-Backbone interact. energy: -0.316
local terms energy: -64.130108
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -4.772
tors. eta vs tors. theta energy: -10.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -86.367803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.367803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.367803 (E_RNA)
where:
Base-Base interactions energy: -24.582
where: short stacking energy: -22.851
Base-Backbone interact. energy: -0.775
local terms energy: -61.010672
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -1.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -310.275663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.275663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.275663 (E_RNA)
where:
Base-Base interactions energy: -214.031
where: short stacking energy: -87.138
Base-Backbone interact. energy: -0.275
local terms energy: -95.970284
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -20.476
flat angles P-C4'-P energy: -16.626
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: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -299.402315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.402315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.402315 (E_RNA)
where:
Base-Base interactions energy: -203.624
where: short stacking energy: -84.323
Base-Backbone interact. energy: -0.083
local terms energy: -95.695261
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -20.119
flat angles C4'-P-C4' energy: -22.336
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -295.858346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.858346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.858346 (E_RNA)
where:
Base-Base interactions energy: -202.233
where: short stacking energy: -85.810
Base-Backbone interact. energy: -0.578
local terms energy: -93.046524
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -21.630
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -289.837005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.837005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.837005 (E_RNA)
where:
Base-Base interactions energy: -196.504
where: short stacking energy: -90.865
Base-Backbone interact. energy: -0.749
local terms energy: -92.584442
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -17.164
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -23.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -269.091515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.091515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.091515 (E_RNA)
where:
Base-Base interactions energy: -177.356
where: short stacking energy: -79.378
Base-Backbone interact. energy: 0.530
local terms energy: -92.265410
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -21.288
flat angles P-C4'-P energy: -16.075
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: 6, replica: 8
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -255.076898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.076898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.076898 (E_RNA)
where:
Base-Base interactions energy: -166.280
where: short stacking energy: -77.585
Base-Backbone interact. energy: -0.353
local terms energy: -88.444614
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -21.363
flat angles P-C4'-P energy: -4.725
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: 7, replica: 1
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -266.589808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.589808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.589808 (E_RNA)
where:
Base-Base interactions energy: -176.621
where: short stacking energy: -81.547
Base-Backbone interact. energy: -0.062
local terms energy: -89.905846
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -23.921
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: 8, replica: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -116.952933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.952933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.952933 (E_RNA)
where:
Base-Base interactions energy: -49.124
where: short stacking energy: -22.305
Base-Backbone interact. energy: 1.793
local terms energy: -69.622320
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -17.628
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -1.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -94.823336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.823336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.823336 (E_RNA)
where:
Base-Base interactions energy: -40.144
where: short stacking energy: -40.144
Base-Backbone interact. energy: 0.074
local terms energy: -54.752940
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -3.280
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: 3
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -94.148334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.148334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.148334 (E_RNA)
where:
Base-Base interactions energy: -38.046
where: short stacking energy: -37.552
Base-Backbone interact. energy: -0.168
local terms energy: -55.934370
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -23.100
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -308.392860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.392860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.392860 (E_RNA)
where:
Base-Base interactions energy: -218.631
where: short stacking energy: -86.615
Base-Backbone interact. energy: -0.158
local terms energy: -89.603967
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -297.762782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.762782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.762782 (E_RNA)
where:
Base-Base interactions energy: -205.214
where: short stacking energy: -87.424
Base-Backbone interact. energy: -0.114
local terms energy: -92.434339
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -20.814
flat angles P-C4'-P energy: -10.182
tors. eta vs tors. theta energy: -21.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -292.955511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.955511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.955511 (E_RNA)
where:
Base-Base interactions energy: -204.242
where: short stacking energy: -87.599
Base-Backbone interact. energy: -0.928
local terms energy: -87.785675
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -20.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -278.402968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.402968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.402968 (E_RNA)
where:
Base-Base interactions energy: -188.580
where: short stacking energy: -83.642
Base-Backbone interact. energy: 0.478
local terms energy: -90.300861
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -20.202
flat angles P-C4'-P energy: -12.147
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: 5, replica: 10
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -263.389208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.389208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.389208 (E_RNA)
where:
Base-Base interactions energy: -167.017
where: short stacking energy: -78.489
Base-Backbone interact. energy: -0.084
local terms energy: -96.289053
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -22.016
flat angles P-C4'-P energy: -13.878
tors. eta vs tors. theta energy: -27.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -264.307360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.307360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.307360 (E_RNA)
where:
Base-Base interactions energy: -173.561
where: short stacking energy: -83.792
Base-Backbone interact. energy: -0.049
local terms energy: -90.696998
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -28.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -254.259737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.259737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.259737 (E_RNA)
where:
Base-Base interactions energy: -169.705
where: short stacking energy: -74.909
Base-Backbone interact. energy: -0.060
local terms energy: -84.494419
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -103.968223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.968223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.968223 (E_RNA)
where:
Base-Base interactions energy: -37.321
where: short stacking energy: -36.026
Base-Backbone interact. energy: -0.031
local terms energy: -66.616783
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -7.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -100.370826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.370826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.370826 (E_RNA)
where:
Base-Base interactions energy: -41.259
where: short stacking energy: -28.823
Base-Backbone interact. energy: -0.446
local terms energy: -58.665938
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -93.132363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.132363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.132363 (E_RNA)
where:
Base-Base interactions energy: -38.364
where: short stacking energy: -37.283
Base-Backbone interact. energy: -0.250
local terms energy: -54.518136
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -1.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -307.784881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.784881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.784881 (E_RNA)
where:
Base-Base interactions energy: -221.095
where: short stacking energy: -89.320
Base-Backbone interact. energy: -1.032
local terms energy: -85.657388
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -14.741
tors. eta vs tors. theta energy: -19.753
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: 2, replica: 2
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -292.446914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.446914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.446914 (E_RNA)
where:
Base-Base interactions energy: -202.480
where: short stacking energy: -86.790
Base-Backbone interact. energy: -1.195
local terms energy: -88.771831
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -16.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -298.995624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.995624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.995624 (E_RNA)
where:
Base-Base interactions energy: -212.920
where: short stacking energy: -93.142
Base-Backbone interact. energy: -0.419
local terms energy: -85.656646
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -24.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -278.043803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.043803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.043803 (E_RNA)
where:
Base-Base interactions energy: -190.275
where: short stacking energy: -91.880
Base-Backbone interact. energy: -0.106
local terms energy: -87.661977
where:
bonds (distance) C4'-P energy: -8.191
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -21.456
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -23.942
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: 1
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -271.355769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.355769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.355769 (E_RNA)
where:
Base-Base interactions energy: -188.729
where: short stacking energy: -95.305
Base-Backbone interact. energy: -0.708
local terms energy: -81.919350
where:
bonds (distance) C4'-P energy: -5.971
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -25.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -279.332766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.332766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.332766 (E_RNA)
where:
Base-Base interactions energy: -189.399
where: short stacking energy: -88.939
Base-Backbone interact. energy: -0.879
local terms energy: -89.054102
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -22.873
flat angles P-C4'-P energy: -9.395
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: 7, replica: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -257.426025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.426025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.426025 (E_RNA)
where:
Base-Base interactions energy: -169.170
where: short stacking energy: -79.837
Base-Backbone interact. energy: -0.012
local terms energy: -88.244589
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -12.231
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: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -105.577836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.577836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.577836 (E_RNA)
where:
Base-Base interactions energy: -37.652
where: short stacking energy: -37.639
Base-Backbone interact. energy: -0.991
local terms energy: -66.934228
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -22.610
flat angles C4'-P-C4' energy: -19.025
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -99.851835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.851835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.851835 (E_RNA)
where:
Base-Base interactions energy: -37.452
where: short stacking energy: -24.661
Base-Backbone interact. energy: -0.260
local terms energy: -62.140716
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -2.001
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: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -97.824373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.824373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.824373 (E_RNA)
where:
Base-Base interactions energy: -36.939
where: short stacking energy: -31.991
Base-Backbone interact. energy: -0.089
local terms energy: -60.795964
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -0.731
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: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -306.491736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.491736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.491736 (E_RNA)
where:
Base-Base interactions energy: -209.126
where: short stacking energy: -87.930
Base-Backbone interact. energy: -1.095
local terms energy: -96.270516
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -24.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -299.862901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.862901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.862901 (E_RNA)
where:
Base-Base interactions energy: -207.295
where: short stacking energy: -85.594
Base-Backbone interact. energy: -0.680
local terms energy: -91.887795
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -21.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -277.324345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.324345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.324345 (E_RNA)
where:
Base-Base interactions energy: -196.877
where: short stacking energy: -77.641
Base-Backbone interact. energy: -0.337
local terms energy: -80.110696
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -19.639
flat angles P-C4'-P energy: -12.759
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: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -285.547993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.547993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.547993 (E_RNA)
where:
Base-Base interactions energy: -186.061
where: short stacking energy: -89.832
Base-Backbone interact. energy: -0.071
local terms energy: -99.416418
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -15.665
tors. eta vs tors. theta energy: -25.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -266.863900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.863900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.863900 (E_RNA)
where:
Base-Base interactions energy: -172.601
where: short stacking energy: -83.265
Base-Backbone interact. energy: -0.110
local terms energy: -94.152538
where:
bonds (distance) C4'-P energy: -20.395
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -15.492
tors. eta vs tors. theta energy: -22.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -268.829626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.829626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.829626 (E_RNA)
where:
Base-Base interactions energy: -175.291
where: short stacking energy: -86.926
Base-Backbone interact. energy: -0.002
local terms energy: -93.537294
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -15.238
tors. eta vs tors. theta energy: -24.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -241.990200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.990200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.990200 (E_RNA)
where:
Base-Base interactions energy: -161.105
where: short stacking energy: -70.702
Base-Backbone interact. energy: -0.294
local terms energy: -80.591343
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -19.041
flat angles P-C4'-P energy: -10.125
tors. eta vs tors. theta energy: -19.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -116.559317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.559317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.559317 (E_RNA)
where:
Base-Base interactions energy: -41.687
where: short stacking energy: -41.687
Base-Backbone interact. energy: -0.467
local terms energy: -74.404649
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -11.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -93.724070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.724070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.724070 (E_RNA)
where:
Base-Base interactions energy: -30.359
where: short stacking energy: -25.169
Base-Backbone interact. energy: -0.702
local terms energy: -62.662263
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -0.905
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: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -98.483710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.483710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.483710 (E_RNA)
where:
Base-Base interactions energy: -30.588
where: short stacking energy: -29.702
Base-Backbone interact. energy: -0.013
local terms energy: -67.882274
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -13.434
tors. eta vs tors. theta energy: -3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -315.471665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.471665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.471665 (E_RNA)
where:
Base-Base interactions energy: -226.836
where: short stacking energy: -89.439
Base-Backbone interact. energy: 0.181
local terms energy: -88.816738
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -21.140
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -18.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -309.755419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.755419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.755419 (E_RNA)
where:
Base-Base interactions energy: -212.107
where: short stacking energy: -86.712
Base-Backbone interact. energy: -0.323
local terms energy: -97.325252
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -22.634
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -21.483
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: 4
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -281.106174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.106174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.106174 (E_RNA)
where:
Base-Base interactions energy: -180.951
where: short stacking energy: -84.908
Base-Backbone interact. energy: 0.103
local terms energy: -100.257839
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -25.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -270.725065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.725065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.725065 (E_RNA)
where:
Base-Base interactions energy: -171.035
where: short stacking energy: -84.528
Base-Backbone interact. energy: -0.172
local terms energy: -99.518246
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -17.539
tors. eta vs tors. theta energy: -24.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -272.459629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.459629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.459629 (E_RNA)
where:
Base-Base interactions energy: -179.314
where: short stacking energy: -85.124
Base-Backbone interact. energy: -0.200
local terms energy: -92.945960
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -12.052
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: 1
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -259.741135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.741135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.741135 (E_RNA)
where:
Base-Base interactions energy: -175.471
where: short stacking energy: -78.196
Base-Backbone interact. energy: -0.994
local terms energy: -83.275994
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -21.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -249.868400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.868400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.868400 (E_RNA)
where:
Base-Base interactions energy: -162.517
where: short stacking energy: -81.345
Base-Backbone interact. energy: -0.427
local terms energy: -86.924689
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -13.683
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: 8, replica: 3
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -103.046754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.046754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.046754 (E_RNA)
where:
Base-Base interactions energy: -49.062
where: short stacking energy: -29.079
Base-Backbone interact. energy: -2.295
local terms energy: -51.689341
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -4.544
tors. eta vs tors. theta energy: 3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -99.534200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.534200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.534200 (E_RNA)
where:
Base-Base interactions energy: -48.404
where: short stacking energy: -36.349
Base-Backbone interact. energy: -0.282
local terms energy: -50.848604
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -11.833
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: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -90.069167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.069167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.069167 (E_RNA)
where:
Base-Base interactions energy: -34.597
where: short stacking energy: -22.922
Base-Backbone interact. energy: 1.465
local terms energy: -56.937026
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: 3.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -316.055526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.055526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.055526 (E_RNA)
where:
Base-Base interactions energy: -220.307
where: short stacking energy: -94.314
Base-Backbone interact. energy: -2.088
local terms energy: -93.660931
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -20.220
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -306.543316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.543316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.543316 (E_RNA)
where:
Base-Base interactions energy: -211.526
where: short stacking energy: -88.775
Base-Backbone interact. energy: -0.458
local terms energy: -94.559194
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -20.483
flat angles P-C4'-P energy: -15.709
tors. eta vs tors. theta energy: -21.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -282.174631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.174631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.174631 (E_RNA)
where:
Base-Base interactions energy: -184.433
where: short stacking energy: -85.827
Base-Backbone interact. energy: -0.664
local terms energy: -97.076818
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -21.908
flat angles P-C4'-P energy: -15.371
tors. eta vs tors. theta energy: -23.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -278.634887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.634887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.634887 (E_RNA)
where:
Base-Base interactions energy: -186.602
where: short stacking energy: -79.255
Base-Backbone interact. energy: -0.009
local terms energy: -92.024260
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -21.765
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -23.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -281.572415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.572415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.572415 (E_RNA)
where:
Base-Base interactions energy: -185.463
where: short stacking energy: -75.279
Base-Backbone interact. energy: -0.049
local terms energy: -96.060812
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: -23.136
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: 8
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -259.676536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.676536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.676536 (E_RNA)
where:
Base-Base interactions energy: -167.784
where: short stacking energy: -83.448
Base-Backbone interact. energy: -2.018
local terms energy: -89.874849
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -19.726
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -23.394
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: 235
Temperature: 1.200000
Total energy: -269.511037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.511037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.511037 (E_RNA)
where:
Base-Base interactions energy: -178.174
where: short stacking energy: -87.544
Base-Backbone interact. energy: -0.290
local terms energy: -91.047305
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -22.133
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -27.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -115.353469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.353469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.353469 (E_RNA)
where:
Base-Base interactions energy: -46.563
where: short stacking energy: -41.275
Base-Backbone interact. energy: 0.057
local terms energy: -68.848120
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -10.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -100.022485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.022485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.022485 (E_RNA)
where:
Base-Base interactions energy: -37.714
where: short stacking energy: -37.714
Base-Backbone interact. energy: -0.219
local terms energy: -62.089633
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -5.876
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: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -93.751789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.751789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.751789 (E_RNA)
where:
Base-Base interactions energy: -28.687
where: short stacking energy: -26.426
Base-Backbone interact. energy: -1.187
local terms energy: -63.877138
where:
bonds (distance) C4'-P energy: -21.186
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -16.540
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -0.206
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: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -310.979283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.979283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.979283 (E_RNA)
where:
Base-Base interactions energy: -216.995
where: short stacking energy: -77.008
Base-Backbone interact. energy: -0.588
local terms energy: -93.396692
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -21.977
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -18.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -308.973112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.973112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.973112 (E_RNA)
where:
Base-Base interactions energy: -210.672
where: short stacking energy: -97.497
Base-Backbone interact. energy: 0.040
local terms energy: -98.341054
where:
bonds (distance) C4'-P energy: -20.875
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -23.499
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -22.733
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: 236
Temperature: 1.000000
Total energy: -287.267246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.267246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.267246 (E_RNA)
where:
Base-Base interactions energy: -192.812
where: short stacking energy: -94.303
Base-Backbone interact. energy: -0.218
local terms energy: -94.236947
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -13.866
tors. eta vs tors. theta energy: -27.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -287.090907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.090907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.090907 (E_RNA)
where:
Base-Base interactions energy: -194.310
where: short stacking energy: -83.686
Base-Backbone interact. energy: -0.404
local terms energy: -92.376909
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -22.797
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: 236
Temperature: 1.100000
Total energy: -279.284690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.284690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.284690 (E_RNA)
where:
Base-Base interactions energy: -194.487
where: short stacking energy: -85.484
Base-Backbone interact. energy: -0.282
local terms energy: -84.516360
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -19.831
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -22.125
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: 8
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -273.711435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.711435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.711435 (E_RNA)
where:
Base-Base interactions energy: -189.862
where: short stacking energy: -87.036
Base-Backbone interact. energy: -0.467
local terms energy: -83.382157
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -23.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -266.109629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.109629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.109629 (E_RNA)
where:
Base-Base interactions energy: -183.665
where: short stacking energy: -81.317
Base-Backbone interact. energy: -1.194
local terms energy: -81.250937
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -11.381
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: 8, replica: 6
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -103.464088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.464088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.464088 (E_RNA)
where:
Base-Base interactions energy: -33.519
where: short stacking energy: -33.519
Base-Backbone interact. energy: -0.154
local terms energy: -69.790761
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -107.824312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.824312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.824312 (E_RNA)
where:
Base-Base interactions energy: -53.559
where: short stacking energy: -31.117
Base-Backbone interact. energy: -0.208
local terms energy: -54.056933
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -5.200
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: 5
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -87.392555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.392555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.392555 (E_RNA)
where:
Base-Base interactions energy: -28.724
where: short stacking energy: -19.554
Base-Backbone interact. energy: -0.212
local terms energy: -58.456639
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: 0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -309.936383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.936383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.936383 (E_RNA)
where:
Base-Base interactions energy: -216.826
where: short stacking energy: -83.498
Base-Backbone interact. energy: -2.222
local terms energy: -90.888501
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -21.371
flat angles C4'-P-C4' energy: -18.982
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -288.286185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.286185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.286185 (E_RNA)
where:
Base-Base interactions energy: -186.761
where: short stacking energy: -101.697
Base-Backbone interact. energy: -0.033
local terms energy: -101.491942
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -20.295
flat angles P-C4'-P energy: -12.232
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: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -299.712515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.712515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.712515 (E_RNA)
where:
Base-Base interactions energy: -210.282
where: short stacking energy: -82.168
Base-Backbone interact. energy: -0.101
local terms energy: -89.329996
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -13.379
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -280.999897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.999897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.999897 (E_RNA)
where:
Base-Base interactions energy: -189.608
where: short stacking energy: -89.242
Base-Backbone interact. energy: -0.204
local terms energy: -91.188039
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: -24.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -267.139186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.139186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.139186 (E_RNA)
where:
Base-Base interactions energy: -168.940
where: short stacking energy: -79.942
Base-Backbone interact. energy: -0.034
local terms energy: -98.164803
where:
bonds (distance) C4'-P energy: -20.006
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -24.424
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: 1
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -266.947956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.947956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.947956 (E_RNA)
where:
Base-Base interactions energy: -178.562
where: short stacking energy: -86.630
Base-Backbone interact. energy: -0.022
local terms energy: -88.363210
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -10.156
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: 7, replica: 8
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -263.370421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.370421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.370421 (E_RNA)
where:
Base-Base interactions energy: -175.335
where: short stacking energy: -86.919
Base-Backbone interact. energy: -0.056
local terms energy: -87.978759
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -25.058
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: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -104.788341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.788341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.788341 (E_RNA)
where:
Base-Base interactions energy: -29.891
where: short stacking energy: -29.891
Base-Backbone interact. energy: -0.153
local terms energy: -74.744606
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -15.316
tors. eta vs tors. theta energy: -7.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -94.140672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.140672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.140672 (E_RNA)
where:
Base-Base interactions energy: -37.862
where: short stacking energy: -22.257
Base-Backbone interact. energy: 2.906
local terms energy: -59.184014
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -6.050
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: 5
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -96.506412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.506412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.506412 (E_RNA)
where:
Base-Base interactions energy: -36.161
where: short stacking energy: -22.346
Base-Backbone interact. energy: 0.037
local terms energy: -60.382227
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -10.331
tors. eta vs tors. theta energy: -0.534
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: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -296.484395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.484395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.484395 (E_RNA)
where:
Base-Base interactions energy: -196.491
where: short stacking energy: -91.806
Base-Backbone interact. energy: -0.318
local terms energy: -99.675808
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -28.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -305.298510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.298510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.298510 (E_RNA)
where:
Base-Base interactions energy: -212.473
where: short stacking energy: -77.505
Base-Backbone interact. energy: -0.691
local terms energy: -92.134450
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -22.423
flat angles C4'-P-C4' energy: -19.979
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -306.438080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.438080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.438080 (E_RNA)
where:
Base-Base interactions energy: -208.779
where: short stacking energy: -94.926
Base-Backbone interact. energy: -0.032
local terms energy: -97.626572
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -24.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -265.307336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.307336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.307336 (E_RNA)
where:
Base-Base interactions energy: -171.611
where: short stacking energy: -83.897
Base-Backbone interact. energy: -0.460
local terms energy: -93.235783
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -11.535
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: 5, replica: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -278.989331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.989331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.989331 (E_RNA)
where:
Base-Base interactions energy: -187.614
where: short stacking energy: -89.659
Base-Backbone interact. energy: -0.194
local terms energy: -91.181034
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -22.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -258.808221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.808221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.808221 (E_RNA)
where:
Base-Base interactions energy: -177.836
where: short stacking energy: -79.154
Base-Backbone interact. energy: 1.397
local terms energy: -82.369752
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -22.588
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -19.641
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: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -252.802908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.802908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.802908 (E_RNA)
where:
Base-Base interactions energy: -170.656
where: short stacking energy: -84.316
Base-Backbone interact. energy: -1.086
local terms energy: -81.061387
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -20.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -107.642706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.642706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.642706 (E_RNA)
where:
Base-Base interactions energy: -44.621
where: short stacking energy: -42.251
Base-Backbone interact. energy: 0.533
local terms energy: -63.554020
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -4.810
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -93.723789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.723789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.723789 (E_RNA)
where:
Base-Base interactions energy: -36.263
where: short stacking energy: -34.731
Base-Backbone interact. energy: -0.259
local terms energy: -57.201689
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -15.857
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -0.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -95.363546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.363546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.363546 (E_RNA)
where:
Base-Base interactions energy: -39.689
where: short stacking energy: -35.387
Base-Backbone interact. energy: -0.118
local terms energy: -55.556203
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -3.604
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: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -290.321109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.321109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.321109 (E_RNA)
where:
Base-Base interactions energy: -193.695
where: short stacking energy: -87.094
Base-Backbone interact. energy: -0.002
local terms energy: -96.624827
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -24.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -302.149769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.149769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.149769 (E_RNA)
where:
Base-Base interactions energy: -211.528
where: short stacking energy: -78.430
Base-Backbone interact. energy: -0.358
local terms energy: -90.263732
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -21.735
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -11.593
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -298.609570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.609570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.609570 (E_RNA)
where:
Base-Base interactions energy: -215.636
where: short stacking energy: -75.485
Base-Backbone interact. energy: -0.606
local terms energy: -82.366667
where:
bonds (distance) C4'-P energy: -20.047
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -21.613
flat angles P-C4'-P energy: -13.189
tors. eta vs tors. theta energy: -16.083
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: 239
Temperature: 1.050000
Total energy: -289.693171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.693171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.693171 (E_RNA)
where:
Base-Base interactions energy: -191.418
where: short stacking energy: -90.766
Base-Backbone interact. energy: -1.931
local terms energy: -96.344371
where:
bonds (distance) C4'-P energy: -21.084
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -25.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -263.524153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.524153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.524153 (E_RNA)
where:
Base-Base interactions energy: -173.853
where: short stacking energy: -76.484
Base-Backbone interact. energy: -0.149
local terms energy: -89.522712
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -22.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -259.240183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.240183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.240183 (E_RNA)
where:
Base-Base interactions energy: -174.099
where: short stacking energy: -73.176
Base-Backbone interact. energy: -0.045
local terms energy: -85.097150
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -16.974
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: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -242.376815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.376815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.376815 (E_RNA)
where:
Base-Base interactions energy: -163.267
where: short stacking energy: -75.690
Base-Backbone interact. energy: 1.374
local terms energy: -80.483359
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -21.688
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -118.263054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.263054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.263054 (E_RNA)
where:
Base-Base interactions energy: -52.987
where: short stacking energy: -42.197
Base-Backbone interact. energy: 0.434
local terms energy: -65.709318
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -5.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -104.298244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.298244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.298244 (E_RNA)
where:
Base-Base interactions energy: -47.172
where: short stacking energy: -38.867
Base-Backbone interact. energy: -0.142
local terms energy: -56.983883
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -88.966015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.966015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.966015 (E_RNA)
where:
Base-Base interactions energy: -30.161
where: short stacking energy: -29.751
Base-Backbone interact. energy: 0.644
local terms energy: -59.449209
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -13.036
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -14.585
tors. eta vs tors. theta energy: -1.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -302.757103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.757103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.757103 (E_RNA)
where:
Base-Base interactions energy: -209.851
where: short stacking energy: -84.604
Base-Backbone interact. energy: -0.880
local terms energy: -92.025903
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -21.910
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -289.220732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.220732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.220732 (E_RNA)
where:
Base-Base interactions energy: -187.023
where: short stacking energy: -94.748
Base-Backbone interact. energy: -0.004
local terms energy: -102.193770
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -20.538
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: -28.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -288.658722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.658722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.658722 (E_RNA)
where:
Base-Base interactions energy: -187.093
where: short stacking energy: -94.773
Base-Backbone interact. energy: -0.010
local terms energy: -101.555946
where:
bonds (distance) C4'-P energy: -21.069
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -29.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -293.234607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.234607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.234607 (E_RNA)
where:
Base-Base interactions energy: -202.991
where: short stacking energy: -84.050
Base-Backbone interact. energy: 0.624
local terms energy: -90.868207
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -13.500
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: 5, replica: 10
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -264.596183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.596183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.596183 (E_RNA)
where:
Base-Base interactions energy: -164.222
where: short stacking energy: -84.844
Base-Backbone interact. energy: -0.052
local terms energy: -100.321959
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -26.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -263.899013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.899013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.899013 (E_RNA)
where:
Base-Base interactions energy: -171.812
where: short stacking energy: -77.284
Base-Backbone interact. energy: -0.022
local terms energy: -92.065522
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -22.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -258.154918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.154918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.154918 (E_RNA)
where:
Base-Base interactions energy: -176.751
where: short stacking energy: -81.583
Base-Backbone interact. energy: -0.122
local terms energy: -81.281202
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -17.473
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -22.771
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: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -100.360779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.360779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.360779 (E_RNA)
where:
Base-Base interactions energy: -35.615
where: short stacking energy: -35.615
Base-Backbone interact. energy: -0.141
local terms energy: -64.604886
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -7.329
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: 3
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -103.011686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.011686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.011686 (E_RNA)
where:
Base-Base interactions energy: -44.316
where: short stacking energy: -41.129
Base-Backbone interact. energy: 0.769
local terms energy: -59.464647
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -6.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -99.236135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.236135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.236135 (E_RNA)
where:
Base-Base interactions energy: -34.484
where: short stacking energy: -32.196
Base-Backbone interact. energy: -0.368
local terms energy: -64.384073
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -12.118
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -303.815568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.815568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.815568 (E_RNA)
where:
Base-Base interactions energy: -204.929
where: short stacking energy: -83.835
Base-Backbone interact. energy: -0.028
local terms energy: -98.857794
where:
bonds (distance) C4'-P energy: -20.053
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -20.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -288.197381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.197381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.197381 (E_RNA)
where:
Base-Base interactions energy: -187.421
where: short stacking energy: -92.755
Base-Backbone interact. energy: -0.103
local terms energy: -100.673446
where:
bonds (distance) C4'-P energy: -20.950
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -27.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -285.771806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.771806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.771806 (E_RNA)
where:
Base-Base interactions energy: -184.679
where: short stacking energy: -86.152
Base-Backbone interact. energy: -0.083
local terms energy: -101.009626
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -21.098
flat angles P-C4'-P energy: -14.955
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: 241
Temperature: 1.050000
Total energy: -290.929867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.929867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.929867 (E_RNA)
where:
Base-Base interactions energy: -200.759
where: short stacking energy: -71.080
Base-Backbone interact. energy: -0.230
local terms energy: -89.940277
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -20.195
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -13.602
tors. eta vs tors. theta energy: -17.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -263.904232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.904232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.904232 (E_RNA)
where:
Base-Base interactions energy: -172.807
where: short stacking energy: -83.794
Base-Backbone interact. energy: -0.119
local terms energy: -90.978424
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -22.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -250.383217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.383217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.383217 (E_RNA)
where:
Base-Base interactions energy: -168.908
where: short stacking energy: -73.271
Base-Backbone interact. energy: -0.437
local terms energy: -81.037546
where:
bonds (distance) C4'-P energy: -21.075
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -254.117880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.117880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.117880 (E_RNA)
where:
Base-Base interactions energy: -167.964
where: short stacking energy: -70.193
Base-Backbone interact. energy: -0.126
local terms energy: -86.028154
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -16.831
tors. eta vs tors. theta energy: -18.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -102.662019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.662019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.662019 (E_RNA)
where:
Base-Base interactions energy: -39.429
where: short stacking energy: -32.717
Base-Backbone interact. energy: -0.184
local terms energy: -63.049016
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -21.867
flat angles C4'-P-C4' energy: -10.531
flat angles P-C4'-P energy: -7.730
tors. eta vs tors. theta energy: -2.450
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: 9, replica: 5
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -98.107233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.107233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.107233 (E_RNA)
where:
Base-Base interactions energy: -45.250
where: short stacking energy: -38.179
Base-Backbone interact. energy: -0.168
local terms energy: -52.688461
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -1.598
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -90.765222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.765222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.765222 (E_RNA)
where:
Base-Base interactions energy: -33.429
where: short stacking energy: -29.995
Base-Backbone interact. energy: -0.153
local terms energy: -57.182574
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.982
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -1.610
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: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -311.691594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.691594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.691594 (E_RNA)
where:
Base-Base interactions energy: -214.585
where: short stacking energy: -95.456
Base-Backbone interact. energy: -0.006
local terms energy: -97.100600
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -22.313
flat angles P-C4'-P energy: -16.422
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: 2, replica: 1
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -302.593440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.593440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.593440 (E_RNA)
where:
Base-Base interactions energy: -212.904
where: short stacking energy: -94.386
Base-Backbone interact. energy: -0.181
local terms energy: -89.508598
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -22.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -295.992284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.992284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.992284 (E_RNA)
where:
Base-Base interactions energy: -202.555
where: short stacking energy: -74.239
Base-Backbone interact. energy: -0.230
local terms energy: -93.208268
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -19.725
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -16.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -272.007128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.007128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.007128 (E_RNA)
where:
Base-Base interactions energy: -174.091
where: short stacking energy: -87.393
Base-Backbone interact. energy: -0.276
local terms energy: -97.640687
where:
bonds (distance) C4'-P energy: -20.320
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -29.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -272.676608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.676608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.676608 (E_RNA)
where:
Base-Base interactions energy: -177.650
where: short stacking energy: -79.135
Base-Backbone interact. energy: -0.141
local terms energy: -94.886195
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -18.839
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: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -274.720368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.720368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.720368 (E_RNA)
where:
Base-Base interactions energy: -184.186
where: short stacking energy: -92.005
Base-Backbone interact. energy: -0.011
local terms energy: -90.523734
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -22.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -242.613601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.613601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.613601 (E_RNA)
where:
Base-Base interactions energy: -165.325
where: short stacking energy: -85.825
Base-Backbone interact. energy: -0.030
local terms energy: -77.259044
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -8.564
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: 8, replica: 3
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -103.020345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.020345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.020345 (E_RNA)
where:
Base-Base interactions energy: -34.893
where: short stacking energy: -32.459
Base-Backbone interact. energy: -0.228
local terms energy: -67.899304
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -8.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -112.399196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.399196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.399196 (E_RNA)
where:
Base-Base interactions energy: -58.059
where: short stacking energy: -34.528
Base-Backbone interact. energy: -0.462
local terms energy: -53.878986
where:
bonds (distance) C4'-P energy: -13.977
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -9.065
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: 0.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -96.831070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.831070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.831070 (E_RNA)
where:
Base-Base interactions energy: -33.209
where: short stacking energy: -32.287
Base-Backbone interact. energy: -0.126
local terms energy: -63.496532
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: 2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -306.687849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.687849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.687849 (E_RNA)
where:
Base-Base interactions energy: -207.794
where: short stacking energy: -89.446
Base-Backbone interact. energy: -0.108
local terms energy: -98.785323
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -22.191
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -14.191
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: 2, replica: 1
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -303.131561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.131561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.131561 (E_RNA)
where:
Base-Base interactions energy: -204.623
where: short stacking energy: -89.108
Base-Backbone interact. energy: -0.613
local terms energy: -97.895939
where:
bonds (distance) C4'-P energy: -20.247
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -17.040
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: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -289.820629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.820629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.820629 (E_RNA)
where:
Base-Base interactions energy: -203.983
where: short stacking energy: -78.819
Base-Backbone interact. energy: -1.030
local terms energy: -84.807772
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -19.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -288.598760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.598760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.598760 (E_RNA)
where:
Base-Base interactions energy: -199.940
where: short stacking energy: -89.482
Base-Backbone interact. energy: -0.079
local terms energy: -88.579137
where:
bonds (distance) C4'-P energy: -20.399
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -23.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -281.692024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.692024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.692024 (E_RNA)
where:
Base-Base interactions energy: -190.955
where: short stacking energy: -84.951
Base-Backbone interact. energy: -0.107
local terms energy: -90.630895
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -27.670
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: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -282.675371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.675371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.675371 (E_RNA)
where:
Base-Base interactions energy: -194.719
where: short stacking energy: -89.511
Base-Backbone interact. energy: -0.939
local terms energy: -87.018061
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -22.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -254.726352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.726352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.726352 (E_RNA)
where:
Base-Base interactions energy: -171.457
where: short stacking energy: -85.496
Base-Backbone interact. energy: -0.208
local terms energy: -83.061112
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -13.424
flat angles P-C4'-P energy: -13.944
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: 8, replica: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -96.825744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.825744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.825744 (E_RNA)
where:
Base-Base interactions energy: -31.504
where: short stacking energy: -26.702
Base-Backbone interact. energy: 0.182
local terms energy: -65.504100
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -20.628
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -8.304
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: 9, replica: 3
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -126.805162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.805162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.805162 (E_RNA)
where:
Base-Base interactions energy: -69.355
where: short stacking energy: -35.201
Base-Backbone interact. energy: 0.268
local terms energy: -57.718950
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -9.475
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -92.950875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.950875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.950875 (E_RNA)
where:
Base-Base interactions energy: -31.923
where: short stacking energy: -15.362
Base-Backbone interact. energy: -0.470
local terms energy: -60.558476
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -20.477
flat angles C4'-P-C4' energy: -18.742
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: 6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -308.808500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.808500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.808500 (E_RNA)
where:
Base-Base interactions energy: -218.679
where: short stacking energy: -88.730
Base-Backbone interact. energy: -1.232
local terms energy: -88.896961
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -15.873
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -23.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -302.439659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.439659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.439659 (E_RNA)
where:
Base-Base interactions energy: -210.519
where: short stacking energy: -89.497
Base-Backbone interact. energy: -0.996
local terms energy: -90.924708
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -15.918
tors. eta vs tors. theta energy: -24.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -294.503089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.503089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.503089 (E_RNA)
where:
Base-Base interactions energy: -207.619
where: short stacking energy: -72.687
Base-Backbone interact. energy: -0.606
local terms energy: -86.278630
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -21.818
flat angles C4'-P-C4' energy: -18.307
flat angles P-C4'-P energy: -15.816
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: 4, replica: 4
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -284.191639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.191639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.191639 (E_RNA)
where:
Base-Base interactions energy: -189.162
where: short stacking energy: -94.116
Base-Backbone interact. energy: -0.005
local terms energy: -95.024608
where:
bonds (distance) C4'-P energy: -22.441
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -20.987
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -27.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -273.192618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.192618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.192618 (E_RNA)
where:
Base-Base interactions energy: -184.847
where: short stacking energy: -85.891
Base-Backbone interact. energy: -0.018
local terms energy: -88.327637
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -26.136
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: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -277.711443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.711443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.711443 (E_RNA)
where:
Base-Base interactions energy: -184.716
where: short stacking energy: -80.157
Base-Backbone interact. energy: -0.135
local terms energy: -92.861151
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -27.778
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: 8
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -254.740191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.740191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.740191 (E_RNA)
where:
Base-Base interactions energy: -166.893
where: short stacking energy: -82.491
Base-Backbone interact. energy: -0.809
local terms energy: -87.038650
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -19.148
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -25.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -116.699566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.699566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.699566 (E_RNA)
where:
Base-Base interactions energy: -51.554
where: short stacking energy: -50.544
Base-Backbone interact. energy: -0.411
local terms energy: -64.734989
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -8.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -135.728127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.728127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.728127 (E_RNA)
where:
Base-Base interactions energy: -75.861
where: short stacking energy: -31.667
Base-Backbone interact. energy: -0.190
local terms energy: -59.676486
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -0.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -95.401694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.401694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.401694 (E_RNA)
where:
Base-Base interactions energy: -31.468
where: short stacking energy: -30.367
Base-Backbone interact. energy: -0.037
local terms energy: -63.897108
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -19.338
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -0.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -311.821255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.821255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.821255 (E_RNA)
where:
Base-Base interactions energy: -207.735
where: short stacking energy: -103.218
Base-Backbone interact. energy: -0.236
local terms energy: -103.850258
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -20.754
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -26.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -309.431052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.431052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.431052 (E_RNA)
where:
Base-Base interactions energy: -210.033
where: short stacking energy: -92.166
Base-Backbone interact. energy: -0.044
local terms energy: -99.353791
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -20.948
flat angles C4'-P-C4' energy: -17.461
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -26.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -297.066261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.066261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.066261 (E_RNA)
where:
Base-Base interactions energy: -204.568
where: short stacking energy: -74.713
Base-Backbone interact. energy: -0.590
local terms energy: -91.908033
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -19.307
flat angles P-C4'-P energy: -14.725
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: 4, replica: 10
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -263.217118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.217118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.217118 (E_RNA)
where:
Base-Base interactions energy: -183.079
where: short stacking energy: -81.005
Base-Backbone interact. energy: 2.131
local terms energy: -82.268851
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -12.929
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -275.084180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.084180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.084180 (E_RNA)
where:
Base-Base interactions energy: -181.816
where: short stacking energy: -86.669
Base-Backbone interact. energy: -0.567
local terms energy: -92.701542
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -21.259
flat angles P-C4'-P energy: -12.443
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: 6, replica: 8
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -260.754995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.754995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.754995 (E_RNA)
where:
Base-Base interactions energy: -168.908
where: short stacking energy: -76.978
Base-Backbone interact. energy: -0.049
local terms energy: -91.798825
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -19.153
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -25.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -267.486072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.486072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.486072 (E_RNA)
where:
Base-Base interactions energy: -181.970
where: short stacking energy: -90.016
Base-Backbone interact. energy: 1.475
local terms energy: -86.991702
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -13.267
flat angles P-C4'-P energy: -18.022
tors. eta vs tors. theta energy: -25.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -113.053327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.053327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.053327 (E_RNA)
where:
Base-Base interactions energy: -45.187
where: short stacking energy: -45.187
Base-Backbone interact. energy: -0.214
local terms energy: -67.652034
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -5.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -107.220086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.220086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.220086 (E_RNA)
where:
Base-Base interactions energy: -43.543
where: short stacking energy: -29.455
Base-Backbone interact. energy: -0.148
local terms energy: -63.529346
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -9.514
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -6.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -92.934115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.934115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.934115 (E_RNA)
where:
Base-Base interactions energy: -37.980
where: short stacking energy: -37.980
Base-Backbone interact. energy: -0.228
local terms energy: -54.726495
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -11.566
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -3.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -312.374752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.374752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.374752 (E_RNA)
where:
Base-Base interactions energy: -207.968
where: short stacking energy: -97.044
Base-Backbone interact. energy: -1.175
local terms energy: -103.231174
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -22.958
flat angles C4'-P-C4' energy: -20.766
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -28.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -291.780249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.780249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.780249 (E_RNA)
where:
Base-Base interactions energy: -191.471
where: short stacking energy: -95.975
Base-Backbone interact. energy: -0.038
local terms energy: -100.271444
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -21.622
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -30.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -287.556138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.556138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.556138 (E_RNA)
where:
Base-Base interactions energy: -203.243
where: short stacking energy: -76.697
Base-Backbone interact. energy: -0.442
local terms energy: -83.871343
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -11.763
flat angles P-C4'-P energy: -17.200
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -276.684398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.684398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.684398 (E_RNA)
where:
Base-Base interactions energy: -180.925
where: short stacking energy: -90.609
Base-Backbone interact. energy: -0.313
local terms energy: -95.446474
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -14.944
tors. eta vs tors. theta energy: -25.566
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: 4
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -266.126030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.126030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.126030 (E_RNA)
where:
Base-Base interactions energy: -178.566
where: short stacking energy: -82.177
Base-Backbone interact. energy: -0.498
local terms energy: -87.061723
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -5.667
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: 6, replica: 8
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -272.841113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.841113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.841113 (E_RNA)
where:
Base-Base interactions energy: -190.490
where: short stacking energy: -78.366
Base-Backbone interact. energy: -0.152
local terms energy: -82.199093
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -23.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -258.131456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.131456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.131456 (E_RNA)
where:
Base-Base interactions energy: -166.470
where: short stacking energy: -78.664
Base-Backbone interact. energy: -0.009
local terms energy: -91.652286
where:
bonds (distance) C4'-P energy: -19.627
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -95.334019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.334019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.334019 (E_RNA)
where:
Base-Base interactions energy: -34.088
where: short stacking energy: -32.717
Base-Backbone interact. energy: -1.223
local terms energy: -60.023717
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -98.465114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.465114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.465114 (E_RNA)
where:
Base-Base interactions energy: -35.414
where: short stacking energy: -34.333
Base-Backbone interact. energy: -0.140
local terms energy: -62.910548
where:
bonds (distance) C4'-P energy: -8.567
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -17.708
flat angles P-C4'-P energy: -9.077
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: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -90.039079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.039079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.039079 (E_RNA)
where:
Base-Base interactions energy: -25.307
where: short stacking energy: -21.919
Base-Backbone interact. energy: 0.040
local terms energy: -64.771783
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -18.861
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -0.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -316.152703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.152703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.152703 (E_RNA)
where:
Base-Base interactions energy: -217.565
where: short stacking energy: -96.950
Base-Backbone interact. energy: -0.005
local terms energy: -98.582403
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -23.003
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -22.545
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: 247
Temperature: 0.950000
Total energy: -303.506833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.506833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.506833 (E_RNA)
where:
Base-Base interactions energy: -222.103
where: short stacking energy: -79.979
Base-Backbone interact. energy: 0.911
local terms energy: -82.314482
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -15.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -290.609275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.609275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.609275 (E_RNA)
where:
Base-Base interactions energy: -187.146
where: short stacking energy: -85.386
Base-Backbone interact. energy: -0.098
local terms energy: -103.365603
where:
bonds (distance) C4'-P energy: -19.725
bonds (distance) P-C4' energy: -20.744
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -17.214
tors. eta vs tors. theta energy: -25.088
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: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -278.528367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.528367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.528367 (E_RNA)
where:
Base-Base interactions energy: -182.265
where: short stacking energy: -87.030
Base-Backbone interact. energy: -0.232
local terms energy: -96.031899
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -26.431
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: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -262.125482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.125482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.125482 (E_RNA)
where:
Base-Base interactions energy: -170.458
where: short stacking energy: -84.697
Base-Backbone interact. energy: -0.554
local terms energy: -91.113295
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -252.980568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.980568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.980568 (E_RNA)
where:
Base-Base interactions energy: -166.239
where: short stacking energy: -77.148
Base-Backbone interact. energy: 1.047
local terms energy: -87.787863
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -22.796
flat angles C4'-P-C4' energy: -15.702
flat angles P-C4'-P energy: -11.699
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: 7, replica: 8
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -257.540000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.540000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.540000 (E_RNA)
where:
Base-Base interactions energy: -174.131
where: short stacking energy: -79.971
Base-Backbone interact. energy: -0.014
local terms energy: -83.395573
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -20.624
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -24.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -116.344187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.344187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.344187 (E_RNA)
where:
Base-Base interactions energy: -37.046
where: short stacking energy: -35.573
Base-Backbone interact. energy: -2.147
local terms energy: -77.151374
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -16.059
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: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -110.885537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.885537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.885537 (E_RNA)
where:
Base-Base interactions energy: -45.144
where: short stacking energy: -37.902
Base-Backbone interact. energy: -0.191
local terms energy: -65.550677
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -5.685
tors. eta vs tors. theta energy: -6.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -93.898171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.898171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.898171 (E_RNA)
where:
Base-Base interactions energy: -43.057
where: short stacking energy: -26.335
Base-Backbone interact. energy: -0.642
local terms energy: -50.198775
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -4.312
tors. eta vs tors. theta energy: 4.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -307.688632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.688632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.688632 (E_RNA)
where:
Base-Base interactions energy: -221.887
where: short stacking energy: -78.016
Base-Backbone interact. energy: -0.672
local terms energy: -85.130248
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -14.551
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: 2, replica: 7
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -304.630092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.630092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.630092 (E_RNA)
where:
Base-Base interactions energy: -203.344
where: short stacking energy: -86.702
Base-Backbone interact. energy: -0.715
local terms energy: -100.570668
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -17.502
tors. eta vs tors. theta energy: -25.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -287.850259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.850259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.850259 (E_RNA)
where:
Base-Base interactions energy: -189.794
where: short stacking energy: -94.430
Base-Backbone interact. energy: 0.003
local terms energy: -98.058986
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -21.843
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -27.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -274.473964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.473964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.473964 (E_RNA)
where:
Base-Base interactions energy: -184.444
where: short stacking energy: -75.005
Base-Backbone interact. energy: -0.145
local terms energy: -89.885738
where:
bonds (distance) C4'-P energy: -16.894
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -16.372
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -262.993350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.993350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.993350 (E_RNA)
where:
Base-Base interactions energy: -174.450
where: short stacking energy: -80.417
Base-Backbone interact. energy: 0.982
local terms energy: -89.525862
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -23.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -246.202379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.202379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.202379 (E_RNA)
where:
Base-Base interactions energy: -162.447
where: short stacking energy: -73.718
Base-Backbone interact. energy: -0.289
local terms energy: -83.466171
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -16.182
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -262.300704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.300704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.300704 (E_RNA)
where:
Base-Base interactions energy: -172.812
where: short stacking energy: -76.458
Base-Backbone interact. energy: -0.316
local terms energy: -89.172669
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -12.373
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: 8, replica: 3
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -121.197298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.197298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.197298 (E_RNA)
where:
Base-Base interactions energy: -59.091
where: short stacking energy: -44.226
Base-Backbone interact. energy: -0.091
local terms energy: -62.014964
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -6.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -114.588618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.588618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.588618 (E_RNA)
where:
Base-Base interactions energy: -47.695
where: short stacking energy: -38.590
Base-Backbone interact. energy: -0.021
local terms energy: -66.872941
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -98.329736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.329736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.329736 (E_RNA)
where:
Base-Base interactions energy: -48.165
where: short stacking energy: -25.309
Base-Backbone interact. energy: -0.122
local terms energy: -50.042565
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -12.197
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: 1.540
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: 1, replica: 9
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -305.632655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.632655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.632655 (E_RNA)
where:
Base-Base interactions energy: -211.257
where: short stacking energy: -86.117
Base-Backbone interact. energy: -0.701
local terms energy: -93.674142
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -19.856
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -14.877
tors. eta vs tors. theta energy: -16.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -301.377698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.377698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.377698 (E_RNA)
where:
Base-Base interactions energy: -196.939
where: short stacking energy: -85.019
Base-Backbone interact. energy: -2.012
local terms energy: -102.425909
where:
bonds (distance) C4'-P energy: -18.491
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -20.185
flat angles P-C4'-P energy: -17.985
tors. eta vs tors. theta energy: -24.898
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: 3, replica: 4
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -282.849139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.849139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.849139 (E_RNA)
where:
Base-Base interactions energy: -185.438
where: short stacking energy: -89.738
Base-Backbone interact. energy: -0.455
local terms energy: -96.956788
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -22.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -277.467021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.467021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.467021 (E_RNA)
where:
Base-Base interactions energy: -183.443
where: short stacking energy: -87.129
Base-Backbone interact. energy: -0.062
local terms energy: -93.962763
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -22.046
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -24.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -266.831728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.831728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.831728 (E_RNA)
where:
Base-Base interactions energy: -171.011
where: short stacking energy: -82.758
Base-Backbone interact. energy: -0.081
local terms energy: -95.740181
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -26.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -255.742067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.742067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.742067 (E_RNA)
where:
Base-Base interactions energy: -167.287
where: short stacking energy: -87.999
Base-Backbone interact. energy: 0.723
local terms energy: -89.177229
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -20.002
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: 2
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -258.306315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.306315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.306315 (E_RNA)
where:
Base-Base interactions energy: -171.714
where: short stacking energy: -80.307
Base-Backbone interact. energy: -0.879
local terms energy: -85.713484
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -108.510014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.510014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.510014 (E_RNA)
where:
Base-Base interactions energy: -36.344
where: short stacking energy: -30.121
Base-Backbone interact. energy: -0.230
local terms energy: -71.935684
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -18.271
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -6.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -119.516691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.516691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.516691 (E_RNA)
where:
Base-Base interactions energy: -55.272
where: short stacking energy: -42.461
Base-Backbone interact. energy: -0.680
local terms energy: -63.564688
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -12.193
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -6.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -89.808078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.808078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.808078 (E_RNA)
where:
Base-Base interactions energy: -42.980
where: short stacking energy: -38.697
Base-Backbone interact. energy: -0.035
local terms energy: -46.793409
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -2.583
tors. eta vs tors. theta energy: -5.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -300.792173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.792173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.792173 (E_RNA)
where:
Base-Base interactions energy: -208.943
where: short stacking energy: -78.068
Base-Backbone interact. energy: -0.311
local terms energy: -91.537988
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -22.233
flat angles P-C4'-P energy: -16.023
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: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -308.083001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.083001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.083001 (E_RNA)
where:
Base-Base interactions energy: -205.409
where: short stacking energy: -89.731
Base-Backbone interact. energy: -2.634
local terms energy: -100.040801
where:
bonds (distance) C4'-P energy: -20.860
bonds (distance) P-C4' energy: -22.352
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -12.075
tors. eta vs tors. theta energy: -27.145
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: 3, replica: 4
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -275.691857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.691857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.691857 (E_RNA)
where:
Base-Base interactions energy: -179.760
where: short stacking energy: -91.617
Base-Backbone interact. energy: -0.043
local terms energy: -95.888037
where:
bonds (distance) C4'-P energy: -17.613
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -22.387
flat angles P-C4'-P energy: -9.502
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: 10
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -285.535212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.535212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.535212 (E_RNA)
where:
Base-Base interactions energy: -182.060
where: short stacking energy: -92.546
Base-Backbone interact. energy: -0.260
local terms energy: -103.215493
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -23.125
flat angles C4'-P-C4' energy: -20.424
flat angles P-C4'-P energy: -13.325
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: 8
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -275.680275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.680275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.680275 (E_RNA)
where:
Base-Base interactions energy: -183.463
where: short stacking energy: -92.759
Base-Backbone interact. energy: 2.258
local terms energy: -94.475361
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -9.807
tors. eta vs tors. theta energy: -28.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -263.081114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.081114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.081114 (E_RNA)
where:
Base-Base interactions energy: -172.949
where: short stacking energy: -74.483
Base-Backbone interact. energy: -0.096
local terms energy: -90.036540
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -18.600
flat angles P-C4'-P energy: -10.628
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: 7, replica: 2
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -256.471084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.471084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.471084 (E_RNA)
where:
Base-Base interactions energy: -167.865
where: short stacking energy: -73.316
Base-Backbone interact. energy: -0.163
local terms energy: -88.442622
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -110.472790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.472790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.472790 (E_RNA)
where:
Base-Base interactions energy: -43.383
where: short stacking energy: -43.115
Base-Backbone interact. energy: -0.751
local terms energy: -66.338813
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -21.238
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -4.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -116.325355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.325355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.325355 (E_RNA)
where:
Base-Base interactions energy: -52.172
where: short stacking energy: -42.026
Base-Backbone interact. energy: 1.855
local terms energy: -66.007720
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -5.572
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: 10, replica: 3
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -92.037328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.037328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.037328 (E_RNA)
where:
Base-Base interactions energy: -45.775
where: short stacking energy: -33.093
Base-Backbone interact. energy: 0.334
local terms energy: -46.596435
where:
bonds (distance) C4'-P energy: -9.315
bonds (distance) P-C4' energy: -15.395
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -9.107
tors. eta vs tors. theta energy: -0.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -307.542612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.542612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.542612 (E_RNA)
where:
Base-Base interactions energy: -223.882
where: short stacking energy: -80.324
Base-Backbone interact. energy: -0.335
local terms energy: -83.325760
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -17.369
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: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -289.923883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.923883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.923883 (E_RNA)
where:
Base-Base interactions energy: -184.234
where: short stacking energy: -93.678
Base-Backbone interact. energy: -0.001
local terms energy: -105.688207
where:
bonds (distance) C4'-P energy: -22.185
bonds (distance) P-C4' energy: -20.835
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -14.813
tors. eta vs tors. theta energy: -27.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -297.184878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.184878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.184878 (E_RNA)
where:
Base-Base interactions energy: -198.011
where: short stacking energy: -88.643
Base-Backbone interact. energy: -0.111
local terms energy: -99.063537
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -12.787
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: 4, replica: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -273.028053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.028053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.028053 (E_RNA)
where:
Base-Base interactions energy: -183.792
where: short stacking energy: -84.697
Base-Backbone interact. energy: -0.164
local terms energy: -89.072123
where:
bonds (distance) C4'-P energy: -18.119
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -19.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -267.308318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.308318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.308318 (E_RNA)
where:
Base-Base interactions energy: -172.247
where: short stacking energy: -82.573
Base-Backbone interact. energy: -0.546
local terms energy: -94.515092
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -28.439
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: 2
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -254.342448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.342448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.342448 (E_RNA)
where:
Base-Base interactions energy: -171.961
where: short stacking energy: -82.182
Base-Backbone interact. energy: 0.382
local terms energy: -82.763240
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -8.293
tors. eta vs tors. theta energy: -22.323
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: 1
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -257.732856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.732856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.732856 (E_RNA)
where:
Base-Base interactions energy: -173.386
where: short stacking energy: -87.893
Base-Backbone interact. energy: -0.965
local terms energy: -83.381910
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -23.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -107.206898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.206898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.206898 (E_RNA)
where:
Base-Base interactions energy: -44.261
where: short stacking energy: -44.261
Base-Backbone interact. energy: -0.089
local terms energy: -62.856861
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -6.944
tors. eta vs tors. theta energy: -8.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -112.187886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.187886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.187886 (E_RNA)
where:
Base-Base interactions energy: -53.940
where: short stacking energy: -32.857
Base-Backbone interact. energy: 1.741
local terms energy: -59.989111
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -95.342946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.342946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.342946 (E_RNA)
where:
Base-Base interactions energy: -30.283
where: short stacking energy: -26.376
Base-Backbone interact. energy: 3.875
local terms energy: -68.934909
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -23.110
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -303.200445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.200445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.200445 (E_RNA)
where:
Base-Base interactions energy: -194.841
where: short stacking energy: -97.909
Base-Backbone interact. energy: 0.429
local terms energy: -108.789049
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -23.447
flat angles P-C4'-P energy: -15.791
tors. eta vs tors. theta energy: -30.033
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: 9
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -305.744688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.744688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.744688 (E_RNA)
where:
Base-Base interactions energy: -218.121
where: short stacking energy: -82.439
Base-Backbone interact. energy: -1.061
local terms energy: -86.563160
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -20.648
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -12.343
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: 3, replica: 7
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -299.207566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.207566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.207566 (E_RNA)
where:
Base-Base interactions energy: -199.979
where: short stacking energy: -86.351
Base-Backbone interact. energy: -1.509
local terms energy: -97.719069
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -17.026
tors. eta vs tors. theta energy: -24.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -273.410694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.410694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.410694 (E_RNA)
where:
Base-Base interactions energy: -184.014
where: short stacking energy: -83.733
Base-Backbone interact. energy: -0.080
local terms energy: -89.316752
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -20.326
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: -21.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -263.516231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.516231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.516231 (E_RNA)
where:
Base-Base interactions energy: -171.108
where: short stacking energy: -77.701
Base-Backbone interact. energy: -0.259
local terms energy: -92.148676
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -11.628
tors. eta vs tors. theta energy: -21.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -259.113824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.113824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.113824 (E_RNA)
where:
Base-Base interactions energy: -165.327
where: short stacking energy: -77.152
Base-Backbone interact. energy: -0.006
local terms energy: -93.780416
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -20.807
flat angles C4'-P-C4' energy: -19.123
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -22.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -246.255405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.255405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.255405 (E_RNA)
where:
Base-Base interactions energy: -159.887
where: short stacking energy: -76.058
Base-Backbone interact. energy: -0.077
local terms energy: -86.292120
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -20.689
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -25.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -118.469365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.469365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.469365 (E_RNA)
where:
Base-Base interactions energy: -52.058
where: short stacking energy: -23.522
Base-Backbone interact. energy: -1.280
local terms energy: -65.130785
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -13.273
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -111.423696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.423696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.423696 (E_RNA)
where:
Base-Base interactions energy: -55.977
where: short stacking energy: -22.880
Base-Backbone interact. energy: -0.813
local terms energy: -54.633423
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -15.845
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: 0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -90.832808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.832808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.832808 (E_RNA)
where:
Base-Base interactions energy: -38.531
where: short stacking energy: -24.311
Base-Backbone interact. energy: -0.591
local terms energy: -51.710418
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -0.944
tors. eta vs tors. theta energy: 0.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -304.738962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.738962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.738962 (E_RNA)
where:
Base-Base interactions energy: -202.071
where: short stacking energy: -91.903
Base-Backbone interact. energy: 0.188
local terms energy: -102.855988
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -23.118
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -29.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -305.561640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.561640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.561640 (E_RNA)
where:
Base-Base interactions energy: -200.726
where: short stacking energy: -89.058
Base-Backbone interact. energy: -0.120
local terms energy: -104.715932
where:
bonds (distance) C4'-P energy: -21.360
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -27.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -300.636844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.636844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.636844 (E_RNA)
where:
Base-Base interactions energy: -207.601
where: short stacking energy: -80.145
Base-Backbone interact. energy: -2.745
local terms energy: -90.290914
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -19.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -286.897053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.897053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.897053 (E_RNA)
where:
Base-Base interactions energy: -189.761
where: short stacking energy: -90.303
Base-Backbone interact. energy: -0.018
local terms energy: -97.117516
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -24.332
flat angles P-C4'-P energy: -8.499
tors. eta vs tors. theta energy: -25.926
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: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -277.793364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.793364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.793364 (E_RNA)
where:
Base-Base interactions energy: -192.222
where: short stacking energy: -84.644
Base-Backbone interact. energy: 0.451
local terms energy: -86.022143
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -20.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -262.436561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.436561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.436561 (E_RNA)
where:
Base-Base interactions energy: -170.898
where: short stacking energy: -81.928
Base-Backbone interact. energy: -0.142
local terms energy: -91.396816
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -19.642
flat angles P-C4'-P energy: -16.994
tors. eta vs tors. theta energy: -18.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -251.938527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.938527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.938527 (E_RNA)
where:
Base-Base interactions energy: -162.831
where: short stacking energy: -79.065
Base-Backbone interact. energy: -0.880
local terms energy: -88.227459
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -13.823
tors. eta vs tors. theta energy: -19.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -113.615471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.615471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.615471 (E_RNA)
where:
Base-Base interactions energy: -47.451
where: short stacking energy: -47.137
Base-Backbone interact. energy: -0.051
local terms energy: -66.113766
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -8.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -99.612352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.612352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.612352 (E_RNA)
where:
Base-Base interactions energy: -42.433
where: short stacking energy: -40.640
Base-Backbone interact. energy: 0.689
local terms energy: -57.868383
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -16.852
flat angles C4'-P-C4' energy: -13.119
flat angles P-C4'-P energy: -6.094
tors. eta vs tors. theta energy: -3.704
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: 3
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -99.048986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.048986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.048986 (E_RNA)
where:
Base-Base interactions energy: -41.036
where: short stacking energy: -41.036
Base-Backbone interact. energy: 0.238
local terms energy: -58.250658
where:
bonds (distance) C4'-P energy: -5.191
bonds (distance) P-C4' energy: -19.093
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -5.898
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: 7
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -303.389101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.389101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.389101 (E_RNA)
where:
Base-Base interactions energy: -212.650
where: short stacking energy: -78.579
Base-Backbone interact. energy: -0.727
local terms energy: -90.012971
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -20.106
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -298.390359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.390359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.390359 (E_RNA)
where:
Base-Base interactions energy: -195.766
where: short stacking energy: -90.536
Base-Backbone interact. energy: -0.907
local terms energy: -101.717301
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -21.586
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -28.311
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: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -277.072866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.072866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.072866 (E_RNA)
where:
Base-Base interactions energy: -179.208
where: short stacking energy: -90.856
Base-Backbone interact. energy: -0.060
local terms energy: -97.805069
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -14.795
tors. eta vs tors. theta energy: -27.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -296.705088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.705088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.705088 (E_RNA)
where:
Base-Base interactions energy: -205.734
where: short stacking energy: -82.188
Base-Backbone interact. energy: -0.429
local terms energy: -90.541630
where:
bonds (distance) C4'-P energy: -21.294
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -16.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -277.060584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.060584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.060584 (E_RNA)
where:
Base-Base interactions energy: -174.961
where: short stacking energy: -83.413
Base-Backbone interact. energy: -0.003
local terms energy: -102.096612
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -23.021
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -25.546
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: 1
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -272.825282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.825282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.825282 (E_RNA)
where:
Base-Base interactions energy: -184.523
where: short stacking energy: -85.410
Base-Backbone interact. energy: -0.094
local terms energy: -88.207563
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -19.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -257.918034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.918034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.918034 (E_RNA)
where:
Base-Base interactions energy: -178.249
where: short stacking energy: -87.659
Base-Backbone interact. energy: -0.006
local terms energy: -79.663483
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -20.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -102.721684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.721684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.721684 (E_RNA)
where:
Base-Base interactions energy: -34.076
where: short stacking energy: -34.176
Base-Backbone interact. energy: 1.768
local terms energy: -70.413544
where:
bonds (distance) C4'-P energy: -13.656
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -7.776
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: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -101.185858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.185858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.185858 (E_RNA)
where:
Base-Base interactions energy: -27.029
where: short stacking energy: -26.702
Base-Backbone interact. energy: 0.314
local terms energy: -74.470717
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -20.303
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -7.924
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: 254
Temperature: 1.350000
Total energy: -86.639215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.639215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.639215 (E_RNA)
where:
Base-Base interactions energy: -33.454
where: short stacking energy: -31.016
Base-Backbone interact. energy: -0.376
local terms energy: -52.808791
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -7.880
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -6.882
tors. eta vs tors. theta energy: -1.977
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: 7
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -312.742657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.742657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.742657 (E_RNA)
where:
Base-Base interactions energy: -212.853
where: short stacking energy: -92.415
Base-Backbone interact. energy: 1.655
local terms energy: -101.544868
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -21.094
flat angles P-C4'-P energy: -17.130
tors. eta vs tors. theta energy: -25.220
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: 2, replica: 4
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -295.588990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.588990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.588990 (E_RNA)
where:
Base-Base interactions energy: -203.007
where: short stacking energy: -87.661
Base-Backbone interact. energy: -0.600
local terms energy: -91.982265
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -16.390
tors. eta vs tors. theta energy: -24.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -308.282629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.282629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.282629 (E_RNA)
where:
Base-Base interactions energy: -211.308
where: short stacking energy: -94.920
Base-Backbone interact. energy: -0.086
local terms energy: -96.889237
where:
bonds (distance) C4'-P energy: -19.150
bonds (distance) P-C4' energy: -20.263
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -26.614
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: 10
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -269.187487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.187487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.187487 (E_RNA)
where:
Base-Base interactions energy: -178.577
where: short stacking energy: -81.948
Base-Backbone interact. energy: -0.144
local terms energy: -90.466792
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -19.975
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -22.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -286.374414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.374414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.374414 (E_RNA)
where:
Base-Base interactions energy: -196.869
where: short stacking energy: -79.278
Base-Backbone interact. energy: -1.619
local terms energy: -87.886495
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -21.145
flat angles P-C4'-P energy: -11.128
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: 6, replica: 1
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -270.869644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.869644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.869644 (E_RNA)
where:
Base-Base interactions energy: -183.114
where: short stacking energy: -81.046
Base-Backbone interact. energy: -0.064
local terms energy: -87.691890
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -10.816
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: 7, replica: 2
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -262.611157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.611157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.611157 (E_RNA)
where:
Base-Base interactions energy: -180.760
where: short stacking energy: -80.290
Base-Backbone interact. energy: -0.787
local terms energy: -81.064976
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -18.311
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -12.223
tors. eta vs tors. theta energy: -17.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -123.125565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.125565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.125565 (E_RNA)
where:
Base-Base interactions energy: -48.816
where: short stacking energy: -46.714
Base-Backbone interact. energy: -0.280
local terms energy: -74.028946
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -10.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -98.452539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.452539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.452539 (E_RNA)
where:
Base-Base interactions energy: -29.220
where: short stacking energy: -25.525
Base-Backbone interact. energy: -0.127
local terms energy: -69.105426
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -95.208914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.208914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.208914 (E_RNA)
where:
Base-Base interactions energy: -47.126
where: short stacking energy: -42.337
Base-Backbone interact. energy: -0.257
local terms energy: -47.826208
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -3.341
tors. eta vs tors. theta energy: -2.302
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: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -304.081835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.081835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.081835 (E_RNA)
where:
Base-Base interactions energy: -199.909
where: short stacking energy: -101.646
Base-Backbone interact. energy: 0.318
local terms energy: -104.490486
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -21.607
flat angles C4'-P-C4' energy: -20.649
flat angles P-C4'-P energy: -14.731
tors. eta vs tors. theta energy: -28.202
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: 2, replica: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -303.536801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.536801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.536801 (E_RNA)
where:
Base-Base interactions energy: -208.322
where: short stacking energy: -92.653
Base-Backbone interact. energy: -0.014
local terms energy: -95.200463
where:
bonds (distance) C4'-P energy: -13.738
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -22.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -273.671976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.671976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.671976 (E_RNA)
where:
Base-Base interactions energy: -183.347
where: short stacking energy: -86.171
Base-Backbone interact. energy: -0.244
local terms energy: -90.080523
where:
bonds (distance) C4'-P energy: -18.422
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -19.943
flat angles P-C4'-P energy: -13.373
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: 4, replica: 10
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -264.029401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.029401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.029401 (E_RNA)
where:
Base-Base interactions energy: -173.185
where: short stacking energy: -75.207
Base-Backbone interact. energy: -0.019
local terms energy: -90.825310
where:
bonds (distance) C4'-P energy: -15.021
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -13.628
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: 5, replica: 9
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -283.944222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.944222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.944222 (E_RNA)
where:
Base-Base interactions energy: -203.174
where: short stacking energy: -86.040
Base-Backbone interact. energy: -1.287
local terms energy: -79.483400
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -17.733
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -12.426
tors. eta vs tors. theta energy: -17.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -256.342561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.342561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.342561 (E_RNA)
where:
Base-Base interactions energy: -173.856
where: short stacking energy: -74.256
Base-Backbone interact. energy: -0.060
local terms energy: -82.426937
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -15.473
tors. eta vs tors. theta energy: -21.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -258.352566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.352566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.352566 (E_RNA)
where:
Base-Base interactions energy: -182.824
where: short stacking energy: -85.281
Base-Backbone interact. energy: -0.140
local terms energy: -75.388429
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -15.496
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -20.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -138.573544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.573544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.573544 (E_RNA)
where:
Base-Base interactions energy: -64.736
where: short stacking energy: -48.988
Base-Backbone interact. energy: -0.137
local terms energy: -73.700965
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -9.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -91.164003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.164003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.164003 (E_RNA)
where:
Base-Base interactions energy: -34.197
where: short stacking energy: -31.649
Base-Backbone interact. energy: 0.148
local terms energy: -57.115137
where:
bonds (distance) C4'-P energy: -14.918
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -99.165281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.165281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.165281 (E_RNA)
where:
Base-Base interactions energy: -40.735
where: short stacking energy: -32.674
Base-Backbone interact. energy: -0.169
local terms energy: -58.262150
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -304.788124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.788124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.788124 (E_RNA)
where:
Base-Base interactions energy: -206.802
where: short stacking energy: -95.549
Base-Backbone interact. energy: -0.296
local terms energy: -97.690218
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -20.995
flat angles P-C4'-P energy: -17.590
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -294.412749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.412749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.412749 (E_RNA)
where:
Base-Base interactions energy: -191.838
where: short stacking energy: -96.924
Base-Backbone interact. energy: 0.651
local terms energy: -103.225088
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -31.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -303.554772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.554772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.554772 (E_RNA)
where:
Base-Base interactions energy: -211.236
where: short stacking energy: -89.890
Base-Backbone interact. energy: -0.023
local terms energy: -92.296325
where:
bonds (distance) C4'-P energy: -22.627
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -288.301907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.301907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.301907 (E_RNA)
where:
Base-Base interactions energy: -205.086
where: short stacking energy: -82.872
Base-Backbone interact. energy: -0.277
local terms energy: -82.938004
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -15.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -267.229571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.229571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.229571 (E_RNA)
where:
Base-Base interactions energy: -163.207
where: short stacking energy: -81.788
Base-Backbone interact. energy: -0.010
local terms energy: -104.012257
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -22.095
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -26.732
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: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -253.861575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.861575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.861575 (E_RNA)
where:
Base-Base interactions energy: -172.585
where: short stacking energy: -88.031
Base-Backbone interact. energy: -0.053
local terms energy: -81.223291
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -22.964
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: 1
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -250.218665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.218665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.218665 (E_RNA)
where:
Base-Base interactions energy: -160.871
where: short stacking energy: -77.677
Base-Backbone interact. energy: -0.145
local terms energy: -89.202557
where:
bonds (distance) C4'-P energy: -19.506
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -15.350
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: 8, replica: 3
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -137.942897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.942897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.942897 (E_RNA)
where:
Base-Base interactions energy: -67.118
where: short stacking energy: -38.721
Base-Backbone interact. energy: 0.286
local terms energy: -71.111153
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -11.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -91.045261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.045261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.045261 (E_RNA)
where:
Base-Base interactions energy: -31.916
where: short stacking energy: -30.146
Base-Backbone interact. energy: -0.295
local terms energy: -58.834317
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -0.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -142.222569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.222569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.222569 (E_RNA)
where:
Base-Base interactions energy: -84.001
where: short stacking energy: -34.571
Base-Backbone interact. energy: -1.028
local terms energy: -57.192903
where:
bonds (distance) C4'-P energy: -20.167
bonds (distance) P-C4' energy: -10.561
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -5.996
tors. eta vs tors. theta energy: -5.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -296.993214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.993214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.993214 (E_RNA)
where:
Base-Base interactions energy: -203.373
where: short stacking energy: -94.410
Base-Backbone interact. energy: -0.007
local terms energy: -93.613589
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -13.670
tors. eta vs tors. theta energy: -27.351
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: 4
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -307.533386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.533386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.533386 (E_RNA)
where:
Base-Base interactions energy: -212.752
where: short stacking energy: -94.780
Base-Backbone interact. energy: -0.007
local terms energy: -94.774500
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -9.427
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: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -303.648311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.648311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.648311 (E_RNA)
where:
Base-Base interactions energy: -208.176
where: short stacking energy: -94.150
Base-Backbone interact. energy: -0.090
local terms energy: -95.382541
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -27.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -292.715341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.715341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.715341 (E_RNA)
where:
Base-Base interactions energy: -204.754
where: short stacking energy: -76.776
Base-Backbone interact. energy: 0.992
local terms energy: -88.953052
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -19.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -274.027169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.027169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.027169 (E_RNA)
where:
Base-Base interactions energy: -176.657
where: short stacking energy: -77.862
Base-Backbone interact. energy: -1.493
local terms energy: -95.877593
where:
bonds (distance) C4'-P energy: -18.947
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -14.862
flat angles P-C4'-P energy: -15.522
tors. eta vs tors. theta energy: -26.766
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: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -264.094128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.094128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.094128 (E_RNA)
where:
Base-Base interactions energy: -178.707
where: short stacking energy: -85.266
Base-Backbone interact. energy: -1.154
local terms energy: -84.233591
where:
bonds (distance) C4'-P energy: -10.390
bonds (distance) P-C4' energy: -13.072
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -14.266
tors. eta vs tors. theta energy: -25.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -257.180841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.180841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.180841 (E_RNA)
where:
Base-Base interactions energy: -166.864
where: short stacking energy: -79.423
Base-Backbone interact. energy: -0.175
local terms energy: -90.142165
where:
bonds (distance) C4'-P energy: -20.179
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -22.926
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -102.247278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.247278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.247278 (E_RNA)
where:
Base-Base interactions energy: -33.309
where: short stacking energy: -33.309
Base-Backbone interact. energy: -0.277
local terms energy: -68.660896
where:
bonds (distance) C4'-P energy: -19.692
bonds (distance) P-C4' energy: -16.108
flat angles C4'-P-C4' energy: -18.548
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -3.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -167.384755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.384755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.384755 (E_RNA)
where:
Base-Base interactions energy: -101.378
where: short stacking energy: -51.497
Base-Backbone interact. energy: -0.106
local terms energy: -65.899979
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -10.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -92.850742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.850742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.850742 (E_RNA)
where:
Base-Base interactions energy: -27.408
where: short stacking energy: -22.892
Base-Backbone interact. energy: -0.622
local terms energy: -64.820810
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -20.424
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -295.798931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.798931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.798931 (E_RNA)
where:
Base-Base interactions energy: -195.386
where: short stacking energy: -86.744
Base-Backbone interact. energy: -0.846
local terms energy: -99.566814
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -21.922
flat angles P-C4'-P energy: -16.229
tors. eta vs tors. theta energy: -27.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -303.905202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.905202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.905202 (E_RNA)
where:
Base-Base interactions energy: -201.258
where: short stacking energy: -90.357
Base-Backbone interact. energy: -0.388
local terms energy: -102.259143
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -20.438
flat angles C4'-P-C4' energy: -20.412
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -27.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -296.231409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.231409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.231409 (E_RNA)
where:
Base-Base interactions energy: -197.486
where: short stacking energy: -95.929
Base-Backbone interact. energy: -0.003
local terms energy: -98.742972
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -21.909
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -24.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -300.940748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.940748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.940748 (E_RNA)
where:
Base-Base interactions energy: -212.343
where: short stacking energy: -77.145
Base-Backbone interact. energy: 1.227
local terms energy: -89.824585
where:
bonds (distance) C4'-P energy: -20.477
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -296.920616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.920616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.920616 (E_RNA)
where:
Base-Base interactions energy: -201.758
where: short stacking energy: -89.779
Base-Backbone interact. energy: -0.021
local terms energy: -95.142412
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -22.488
flat angles P-C4'-P energy: -13.708
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: 1
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -272.823048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.823048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.823048 (E_RNA)
where:
Base-Base interactions energy: -176.060
where: short stacking energy: -90.183
Base-Backbone interact. energy: -0.150
local terms energy: -96.612626
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -26.816
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: 7, replica: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -251.357992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.357992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.357992 (E_RNA)
where:
Base-Base interactions energy: -167.351
where: short stacking energy: -80.262
Base-Backbone interact. energy: -0.006
local terms energy: -84.001125
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -23.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -146.569248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.569248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.569248 (E_RNA)
where:
Base-Base interactions energy: -81.608
where: short stacking energy: -48.408
Base-Backbone interact. energy: -0.091
local terms energy: -64.869800
where:
bonds (distance) C4'-P energy: -11.210
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -12.205
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: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -109.853488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.853488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.853488 (E_RNA)
where:
Base-Base interactions energy: -39.379
where: short stacking energy: -37.283
Base-Backbone interact. energy: -0.055
local terms energy: -70.420095
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -2.809
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: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -91.106752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.106752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.106752 (E_RNA)
where:
Base-Base interactions energy: -41.147
where: short stacking energy: -36.387
Base-Backbone interact. energy: -0.261
local terms energy: -49.699466
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -10.716
flat angles C4'-P-C4' energy: -12.545
flat angles P-C4'-P energy: -9.167
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: 8
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -293.137617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.137617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.137617 (E_RNA)
where:
Base-Base interactions energy: -198.741
where: short stacking energy: -93.730
Base-Backbone interact. energy: -0.002
local terms energy: -94.394799
where:
bonds (distance) C4'-P energy: -21.332
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -25.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -302.404746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.404746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.404746 (E_RNA)
where:
Base-Base interactions energy: -208.975
where: short stacking energy: -85.098
Base-Backbone interact. energy: -0.173
local terms energy: -93.257174
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -22.103
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -22.636
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: 3, replica: 9
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -294.020974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.020974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.020974 (E_RNA)
where:
Base-Base interactions energy: -201.146
where: short stacking energy: -86.293
Base-Backbone interact. energy: -0.831
local terms energy: -92.043895
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -22.142
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -21.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -286.447489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.447489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.447489 (E_RNA)
where:
Base-Base interactions energy: -197.059
where: short stacking energy: -92.920
Base-Backbone interact. energy: -0.001
local terms energy: -89.387603
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -23.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -284.642275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.642275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.642275 (E_RNA)
where:
Base-Base interactions energy: -195.414
where: short stacking energy: -83.208
Base-Backbone interact. energy: -0.057
local terms energy: -89.170931
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -21.867
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -11.248
tors. eta vs tors. theta energy: -25.207
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: 260
Temperature: 1.150000
Total energy: -280.029094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.029094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.029094 (E_RNA)
where:
Base-Base interactions energy: -182.763
where: short stacking energy: -85.415
Base-Backbone interact. energy: 1.724
local terms energy: -98.989873
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -21.785
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -23.303
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: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -296.088688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.088688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.088688 (E_RNA)
where:
Base-Base interactions energy: -206.323
where: short stacking energy: -90.781
Base-Backbone interact. energy: -0.002
local terms energy: -89.763236
where:
bonds (distance) C4'-P energy: -9.932
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -22.138
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -25.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -116.725527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.725527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.725527 (E_RNA)
where:
Base-Base interactions energy: -61.605
where: short stacking energy: -34.083
Base-Backbone interact. energy: 0.941
local terms energy: -56.061733
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -3.017
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: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -92.535588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.535588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.535588 (E_RNA)
where:
Base-Base interactions energy: -34.077
where: short stacking energy: -30.492
Base-Backbone interact. energy: -0.467
local terms energy: -57.991398
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -15.167
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -0.074
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: 3
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -97.616103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.616103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.616103 (E_RNA)
where:
Base-Base interactions energy: -43.061
where: short stacking energy: -31.578
Base-Backbone interact. energy: 0.070
local terms energy: -54.624591
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -8.734
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -1.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -310.207513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.207513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.207513 (E_RNA)
where:
Base-Base interactions energy: -204.545
where: short stacking energy: -97.262
Base-Backbone interact. energy: -0.015
local terms energy: -105.646873
where:
bonds (distance) C4'-P energy: -19.485
bonds (distance) P-C4' energy: -23.488
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -16.428
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: 2, replica: 9
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -302.910405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.910405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.910405 (E_RNA)
where:
Base-Base interactions energy: -206.711
where: short stacking energy: -82.752
Base-Backbone interact. energy: -0.667
local terms energy: -95.532679
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -21.779
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -285.024159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.024159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.024159 (E_RNA)
where:
Base-Base interactions energy: -196.672
where: short stacking energy: -89.601
Base-Backbone interact. energy: -0.479
local terms energy: -87.873295
where:
bonds (distance) C4'-P energy: -17.158
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -11.753
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: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -270.711615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.711615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.711615 (E_RNA)
where:
Base-Base interactions energy: -178.894
where: short stacking energy: -80.329
Base-Backbone interact. energy: -0.197
local terms energy: -91.620613
where:
bonds (distance) C4'-P energy: -18.432
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -21.648
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -22.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -273.257929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.257929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.257929 (E_RNA)
where:
Base-Base interactions energy: -188.251
where: short stacking energy: -68.788
Base-Backbone interact. energy: -0.148
local terms energy: -84.859005
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -19.539
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -264.914352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.914352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.914352 (E_RNA)
where:
Base-Base interactions energy: -178.946
where: short stacking energy: -73.903
Base-Backbone interact. energy: -0.122
local terms energy: -85.846935
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -23.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -268.469045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.469045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.469045 (E_RNA)
where:
Base-Base interactions energy: -177.498
where: short stacking energy: -71.906
Base-Backbone interact. energy: -0.138
local terms energy: -90.833433
where:
bonds (distance) C4'-P energy: -21.518
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -21.530
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -104.197435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.197435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.197435 (E_RNA)
where:
Base-Base interactions energy: -31.789
where: short stacking energy: -31.789
Base-Backbone interact. energy: -0.022
local terms energy: -72.386376
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -138.935203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.935203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.935203 (E_RNA)
where:
Base-Base interactions energy: -68.716
where: short stacking energy: -33.498
Base-Backbone interact. energy: -0.433
local terms energy: -69.786464
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -13.524
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: 10, replica: 3
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -92.889289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.889289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.889289 (E_RNA)
where:
Base-Base interactions energy: -32.280
where: short stacking energy: -27.661
Base-Backbone interact. energy: -0.248
local terms energy: -60.361028
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -13.507
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -2.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -302.387251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.387251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.387251 (E_RNA)
where:
Base-Base interactions energy: -216.100
where: short stacking energy: -86.108
Base-Backbone interact. energy: -0.140
local terms energy: -86.147099
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -20.552
flat angles C4'-P-C4' energy: -22.747
flat angles P-C4'-P energy: -12.107
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: 2, replica: 8
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -308.583207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.583207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.583207 (E_RNA)
where:
Base-Base interactions energy: -213.102
where: short stacking energy: -96.504
Base-Backbone interact. energy: -1.764
local terms energy: -93.717476
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -26.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -291.814524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.814524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.814524 (E_RNA)
where:
Base-Base interactions energy: -202.120
where: short stacking energy: -84.956
Base-Backbone interact. energy: -0.089
local terms energy: -89.605130
where:
bonds (distance) C4'-P energy: -12.559
bonds (distance) P-C4' energy: -20.507
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -25.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -276.880073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.880073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.880073 (E_RNA)
where:
Base-Base interactions energy: -198.807
where: short stacking energy: -84.500
Base-Backbone interact. energy: -0.014
local terms energy: -78.058793
where:
bonds (distance) C4'-P energy: -12.587
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -255.970680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.970680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.970680 (E_RNA)
where:
Base-Base interactions energy: -166.070
where: short stacking energy: -69.443
Base-Backbone interact. energy: -0.413
local terms energy: -89.488007
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -18.979
flat angles C4'-P-C4' energy: -20.688
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -17.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -252.663119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.663119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.663119 (E_RNA)
where:
Base-Base interactions energy: -166.152
where: short stacking energy: -79.829
Base-Backbone interact. energy: 0.262
local terms energy: -86.773653
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -15.946
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: 7, replica: 10
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -261.403145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.403145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.403145 (E_RNA)
where:
Base-Base interactions energy: -177.877
where: short stacking energy: -73.107
Base-Backbone interact. energy: -0.809
local terms energy: -82.717241
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -16.449
tors. eta vs tors. theta energy: -25.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -104.585276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.585276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.585276 (E_RNA)
where:
Base-Base interactions energy: -46.272
where: short stacking energy: -46.272
Base-Backbone interact. energy: -0.835
local terms energy: -57.478365
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -18.593
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -7.621
tors. eta vs tors. theta energy: -5.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -152.722072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.722072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.722072 (E_RNA)
where:
Base-Base interactions energy: -91.635
where: short stacking energy: -45.314
Base-Backbone interact. energy: -0.512
local terms energy: -60.574626
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -9.247
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -4.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -92.327953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.327953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.327953 (E_RNA)
where:
Base-Base interactions energy: -48.716
where: short stacking energy: -39.904
Base-Backbone interact. energy: 0.329
local terms energy: -43.941435
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -8.531
flat angles P-C4'-P energy: -6.820
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: 1, replica: 9
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -308.207849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.207849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.207849 (E_RNA)
where:
Base-Base interactions energy: -213.468
where: short stacking energy: -84.218
Base-Backbone interact. energy: 0.231
local terms energy: -94.970330
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -20.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -303.345984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.345984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.345984 (E_RNA)
where:
Base-Base interactions energy: -199.741
where: short stacking energy: -84.136
Base-Backbone interact. energy: -2.106
local terms energy: -101.498515
where:
bonds (distance) C4'-P energy: -19.671
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -289.399243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.399243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.399243 (E_RNA)
where:
Base-Base interactions energy: -197.311
where: short stacking energy: -79.595
Base-Backbone interact. energy: -0.583
local terms energy: -91.504739
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -25.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -288.456131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.456131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.456131 (E_RNA)
where:
Base-Base interactions energy: -188.447
where: short stacking energy: -82.282
Base-Backbone interact. energy: -0.444
local terms energy: -99.565745
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -15.103
tors. eta vs tors. theta energy: -27.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -280.483044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.483044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.483044 (E_RNA)
where:
Base-Base interactions energy: -184.381
where: short stacking energy: -95.443
Base-Backbone interact. energy: -0.001
local terms energy: -96.101675
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -29.761
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: 10
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -270.405339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.405339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.405339 (E_RNA)
where:
Base-Base interactions energy: -174.028
where: short stacking energy: -89.732
Base-Backbone interact. energy: -0.883
local terms energy: -95.495206
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -26.544
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: 2
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -242.397554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.397554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.397554 (E_RNA)
where:
Base-Base interactions energy: -152.712
where: short stacking energy: -79.572
Base-Backbone interact. energy: -0.624
local terms energy: -89.061007
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -23.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -112.030645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.030645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.030645 (E_RNA)
where:
Base-Base interactions energy: -54.967
where: short stacking energy: -36.873
Base-Backbone interact. energy: 2.942
local terms energy: -60.005952
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -2.687
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: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -103.330925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.330925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.330925 (E_RNA)
where:
Base-Base interactions energy: -40.839
where: short stacking energy: -40.606
Base-Backbone interact. energy: -0.849
local terms energy: -61.642720
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -7.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -95.676727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.676727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.676727 (E_RNA)
where:
Base-Base interactions energy: -32.096
where: short stacking energy: -32.096
Base-Backbone interact. energy: -0.241
local terms energy: -63.339447
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: 0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -313.146191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.146191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.146191 (E_RNA)
where:
Base-Base interactions energy: -222.265
where: short stacking energy: -87.627
Base-Backbone interact. energy: -0.096
local terms energy: -90.785314
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -21.679
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -309.653744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.653744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.653744 (E_RNA)
where:
Base-Base interactions energy: -213.748
where: short stacking energy: -98.853
Base-Backbone interact. energy: -0.090
local terms energy: -95.815710
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -20.754
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -27.647
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: 1
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -301.788170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.788170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.788170 (E_RNA)
where:
Base-Base interactions energy: -211.969
where: short stacking energy: -96.864
Base-Backbone interact. energy: -0.728
local terms energy: -89.091722
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -22.327
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: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -271.872703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.872703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.872703 (E_RNA)
where:
Base-Base interactions energy: -174.421
where: short stacking energy: -88.590
Base-Backbone interact. energy: -0.599
local terms energy: -96.852931
where:
bonds (distance) C4'-P energy: -18.322
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -28.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -264.018948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.018948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.018948 (E_RNA)
where:
Base-Base interactions energy: -174.640
where: short stacking energy: -86.523
Base-Backbone interact. energy: -0.001
local terms energy: -89.377515
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -23.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -277.590072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.590072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.590072 (E_RNA)
where:
Base-Base interactions energy: -194.883
where: short stacking energy: -81.868
Base-Backbone interact. energy: -0.115
local terms energy: -82.592842
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -23.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -251.652830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.652830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.652830 (E_RNA)
where:
Base-Base interactions energy: -163.208
where: short stacking energy: -74.722
Base-Backbone interact. energy: -1.110
local terms energy: -87.334512
where:
bonds (distance) C4'-P energy: -20.345
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -14.189
flat angles P-C4'-P energy: -11.678
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -103.311787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.311787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.311787 (E_RNA)
where:
Base-Base interactions energy: -47.978
where: short stacking energy: -43.817
Base-Backbone interact. energy: -1.168
local terms energy: -54.166245
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -8.107
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -3.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -142.359197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.359197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.359197 (E_RNA)
where:
Base-Base interactions energy: -78.496
where: short stacking energy: -36.144
Base-Backbone interact. energy: 0.931
local terms energy: -64.794309
where:
bonds (distance) C4'-P energy: -20.436
bonds (distance) P-C4' energy: -8.870
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -14.936
tors. eta vs tors. theta energy: -1.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -93.835813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.835813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.835813 (E_RNA)
where:
Base-Base interactions energy: -32.485
where: short stacking energy: -26.003
Base-Backbone interact. energy: 1.160
local terms energy: -62.510818
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -18.056
flat angles C4'-P-C4' energy: -17.522
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -0.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -321.361894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.361894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.361894 (E_RNA)
where:
Base-Base interactions energy: -232.216
where: short stacking energy: -94.934
Base-Backbone interact. energy: -0.239
local terms energy: -88.907128
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -14.557
tors. eta vs tors. theta energy: -19.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -299.296747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.296747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.296747 (E_RNA)
where:
Base-Base interactions energy: -201.543
where: short stacking energy: -85.738
Base-Backbone interact. energy: -0.910
local terms energy: -96.843312
where:
bonds (distance) C4'-P energy: -18.823
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -15.675
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: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -308.849571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.849571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.849571 (E_RNA)
where:
Base-Base interactions energy: -216.587
where: short stacking energy: -91.421
Base-Backbone interact. energy: -0.675
local terms energy: -91.587413
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -20.387
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -22.280
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: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -291.640211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.640211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.640211 (E_RNA)
where:
Base-Base interactions energy: -201.853
where: short stacking energy: -84.569
Base-Backbone interact. energy: -0.026
local terms energy: -89.760952
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -25.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -262.411490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.411490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.411490 (E_RNA)
where:
Base-Base interactions energy: -176.933
where: short stacking energy: -86.137
Base-Backbone interact. energy: -0.095
local terms energy: -85.382797
where:
bonds (distance) C4'-P energy: -11.977
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -18.045
flat angles P-C4'-P energy: -11.448
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: 6, replica: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -258.826582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.826582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.826582 (E_RNA)
where:
Base-Base interactions energy: -167.280
where: short stacking energy: -78.246
Base-Backbone interact. energy: 1.355
local terms energy: -92.901268
where:
bonds (distance) C4'-P energy: -18.706
bonds (distance) P-C4' energy: -23.311
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -260.116008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.116008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.116008 (E_RNA)
where:
Base-Base interactions energy: -175.727
where: short stacking energy: -69.523
Base-Backbone interact. energy: 1.780
local terms energy: -86.168907
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -20.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -116.812497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.812497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.812497 (E_RNA)
where:
Base-Base interactions energy: -37.722
where: short stacking energy: -37.822
Base-Backbone interact. energy: -0.117
local terms energy: -78.973654
where:
bonds (distance) C4'-P energy: -20.865
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -14.517
tors. eta vs tors. theta energy: -8.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -98.601240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.601240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.601240 (E_RNA)
where:
Base-Base interactions energy: -50.282
where: short stacking energy: -31.551
Base-Backbone interact. energy: -0.850
local terms energy: -47.470155
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -13.248
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: 3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -132.322724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.322724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.322724 (E_RNA)
where:
Base-Base interactions energy: -69.867
where: short stacking energy: -35.041
Base-Backbone interact. energy: -0.127
local terms energy: -62.329273
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -12.556
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -4.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -301.053270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.053270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.053270 (E_RNA)
where:
Base-Base interactions energy: -212.476
where: short stacking energy: -80.002
Base-Backbone interact. energy: -0.044
local terms energy: -88.533855
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -18.054
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -296.487630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.487630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.487630 (E_RNA)
where:
Base-Base interactions energy: -194.939
where: short stacking energy: -95.231
Base-Backbone interact. energy: -0.284
local terms energy: -101.264896
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -16.081
tors. eta vs tors. theta energy: -26.950
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: 266
Temperature: 1.000000
Total energy: -301.107240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.107240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.107240 (E_RNA)
where:
Base-Base interactions energy: -206.814
where: short stacking energy: -81.590
Base-Backbone interact. energy: -0.024
local terms energy: -94.269286
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -12.882
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: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -290.285572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.285572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.285572 (E_RNA)
where:
Base-Base interactions energy: -197.077
where: short stacking energy: -88.698
Base-Backbone interact. energy: -0.790
local terms energy: -92.418218
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -23.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -270.292164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.292164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.292164 (E_RNA)
where:
Base-Base interactions energy: -182.304
where: short stacking energy: -89.863
Base-Backbone interact. energy: -0.072
local terms energy: -87.915787
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -20.180
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -22.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -262.386172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.386172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.386172 (E_RNA)
where:
Base-Base interactions energy: -172.424
where: short stacking energy: -83.707
Base-Backbone interact. energy: 0.496
local terms energy: -90.458168
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -22.855
flat angles P-C4'-P energy: -13.646
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: 7, replica: 2
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -240.754640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.754640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.754640 (E_RNA)
where:
Base-Base interactions energy: -162.176
where: short stacking energy: -78.626
Base-Backbone interact. energy: -0.080
local terms energy: -78.499492
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -21.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -105.693686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.693686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.693686 (E_RNA)
where:
Base-Base interactions energy: -41.065
where: short stacking energy: -41.065
Base-Backbone interact. energy: 3.050
local terms energy: -67.678246
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -3.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -92.576937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.576937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.576937 (E_RNA)
where:
Base-Base interactions energy: -28.943
where: short stacking energy: -24.611
Base-Backbone interact. energy: -0.336
local terms energy: -63.297986
where:
bonds (distance) C4'-P energy: -5.109
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -93.965250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.965250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.965250 (E_RNA)
where:
Base-Base interactions energy: -24.229
where: short stacking energy: -24.229
Base-Backbone interact. energy: -0.984
local terms energy: -68.752812
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -302.825580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.825580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.825580 (E_RNA)
where:
Base-Base interactions energy: -212.268
where: short stacking energy: -81.931
Base-Backbone interact. energy: -0.281
local terms energy: -90.276947
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -20.747
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -307.703980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.703980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.703980 (E_RNA)
where:
Base-Base interactions energy: -215.578
where: short stacking energy: -84.173
Base-Backbone interact. energy: -0.515
local terms energy: -91.610877
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -21.469
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -12.793
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: 3, replica: 1
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -284.116564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.116564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.116564 (E_RNA)
where:
Base-Base interactions energy: -187.100
where: short stacking energy: -91.401
Base-Backbone interact. energy: -0.700
local terms energy: -96.316551
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -20.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -293.159434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.159434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.159434 (E_RNA)
where:
Base-Base interactions energy: -199.831
where: short stacking energy: -92.564
Base-Backbone interact. energy: -0.502
local terms energy: -92.826926
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -21.930
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -26.128
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: 5, replica: 4
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -277.975870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.975870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.975870 (E_RNA)
where:
Base-Base interactions energy: -184.294
where: short stacking energy: -87.884
Base-Backbone interact. energy: -0.326
local terms energy: -93.355495
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -19.727
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -22.438
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: 2
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -279.630782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.630782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.630782 (E_RNA)
where:
Base-Base interactions energy: -186.417
where: short stacking energy: -80.231
Base-Backbone interact. energy: -0.257
local terms energy: -92.956932
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -18.262
flat angles P-C4'-P energy: -14.106
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: 7, replica: 10
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -254.969202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.969202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.969202 (E_RNA)
where:
Base-Base interactions energy: -163.638
where: short stacking energy: -83.826
Base-Backbone interact. energy: -0.304
local terms energy: -91.027203
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -16.632
tors. eta vs tors. theta energy: -21.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -114.590315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.590315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.590315 (E_RNA)
where:
Base-Base interactions energy: -53.334
where: short stacking energy: -39.851
Base-Backbone interact. energy: -0.097
local terms energy: -61.159361
where:
bonds (distance) C4'-P energy: -9.318
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -8.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -92.642613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.642613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.642613 (E_RNA)
where:
Base-Base interactions energy: -34.964
where: short stacking energy: -33.149
Base-Backbone interact. energy: -0.713
local terms energy: -56.965942
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -0.762
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: 5
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -89.501376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.501376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.501376 (E_RNA)
where:
Base-Base interactions energy: -32.174
where: short stacking energy: -27.900
Base-Backbone interact. energy: -0.171
local terms energy: -57.156180
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -311.164755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.164755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.164755 (E_RNA)
where:
Base-Base interactions energy: -215.764
where: short stacking energy: -99.919
Base-Backbone interact. energy: -0.016
local terms energy: -95.385135
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -21.416
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -28.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -304.842832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.842832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.842832 (E_RNA)
where:
Base-Base interactions energy: -219.656
where: short stacking energy: -83.789
Base-Backbone interact. energy: -0.125
local terms energy: -85.061042
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -290.238332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.238332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.238332 (E_RNA)
where:
Base-Base interactions energy: -203.304
where: short stacking energy: -81.687
Base-Backbone interact. energy: -0.289
local terms energy: -86.645695
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -23.372
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -20.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -292.115684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.115684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.115684 (E_RNA)
where:
Base-Base interactions energy: -197.840
where: short stacking energy: -86.198
Base-Backbone interact. energy: -0.047
local terms energy: -94.229410
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -22.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -275.097439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.097439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.097439 (E_RNA)
where:
Base-Base interactions energy: -180.014
where: short stacking energy: -84.331
Base-Backbone interact. energy: -0.098
local terms energy: -94.985080
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -20.227
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -25.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -268.272595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.272595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.272595 (E_RNA)
where:
Base-Base interactions energy: -182.634
where: short stacking energy: -88.715
Base-Backbone interact. energy: -1.392
local terms energy: -84.247070
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -12.836
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -27.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -260.934092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.934092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.934092 (E_RNA)
where:
Base-Base interactions energy: -170.368
where: short stacking energy: -81.653
Base-Backbone interact. energy: -0.666
local terms energy: -89.899975
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -17.687
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: -26.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -100.055638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.055638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.055638 (E_RNA)
where:
Base-Base interactions energy: -40.132
where: short stacking energy: -27.439
Base-Backbone interact. energy: -0.867
local terms energy: -59.056076
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: 2.850
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: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -101.205717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.205717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.205717 (E_RNA)
where:
Base-Base interactions energy: -36.883
where: short stacking energy: -36.883
Base-Backbone interact. energy: -0.058
local terms energy: -64.264717
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -11.212
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: 10, replica: 5
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -102.737902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.737902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.737902 (E_RNA)
where:
Base-Base interactions energy: -52.083
where: short stacking energy: -37.023
Base-Backbone interact. energy: 0.732
local terms energy: -51.387187
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -11.734
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -6.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -316.579065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.579065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.579065 (E_RNA)
where:
Base-Base interactions energy: -212.626
where: short stacking energy: -98.785
Base-Backbone interact. energy: -2.276
local terms energy: -101.676906
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -23.140
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -26.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -297.922345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.922345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.922345 (E_RNA)
where:
Base-Base interactions energy: -207.129
where: short stacking energy: -87.423
Base-Backbone interact. energy: -1.111
local terms energy: -89.681782
where:
bonds (distance) C4'-P energy: -20.479
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -12.775
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: 3, replica: 1
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -273.920576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.920576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.920576 (E_RNA)
where:
Base-Base interactions energy: -182.513
where: short stacking energy: -81.023
Base-Backbone interact. energy: -1.996
local terms energy: -89.411144
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -20.091
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -274.146966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.146966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.146966 (E_RNA)
where:
Base-Base interactions energy: -183.511
where: short stacking energy: -89.276
Base-Backbone interact. energy: -0.100
local terms energy: -90.536053
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -22.035
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -22.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -268.047911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.047911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.047911 (E_RNA)
where:
Base-Base interactions energy: -173.389
where: short stacking energy: -85.504
Base-Backbone interact. energy: -0.164
local terms energy: -94.494385
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -25.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -276.944091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.944091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.944091 (E_RNA)
where:
Base-Base interactions energy: -190.227
where: short stacking energy: -84.737
Base-Backbone interact. energy: -0.036
local terms energy: -86.681111
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -17.469
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -22.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -255.836691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.836691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.836691 (E_RNA)
where:
Base-Base interactions energy: -171.519
where: short stacking energy: -85.189
Base-Backbone interact. energy: 0.020
local terms energy: -84.337742
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -29.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -159.973704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.973704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.973704 (E_RNA)
where:
Base-Base interactions energy: -90.433
where: short stacking energy: -45.866
Base-Backbone interact. energy: -0.228
local terms energy: -69.313492
where:
bonds (distance) C4'-P energy: -17.767
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -12.296
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: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -112.884265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.884265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.884265 (E_RNA)
where:
Base-Base interactions energy: -45.357
where: short stacking energy: -42.235
Base-Backbone interact. energy: -0.262
local terms energy: -67.265425
where:
bonds (distance) C4'-P energy: -10.853
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -20.269
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -102.560008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.560008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.560008 (E_RNA)
where:
Base-Base interactions energy: -48.952
where: short stacking energy: -30.468
Base-Backbone interact. energy: -0.425
local terms energy: -53.182976
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: 0.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -311.855627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.855627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.855627 (E_RNA)
where:
Base-Base interactions energy: -218.021
where: short stacking energy: -94.877
Base-Backbone interact. energy: -0.094
local terms energy: -93.740970
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -20.902
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -24.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -306.818687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.818687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.818687 (E_RNA)
where:
Base-Base interactions energy: -211.391
where: short stacking energy: -84.113
Base-Backbone interact. energy: -1.868
local terms energy: -93.559220
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -22.068
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -19.837
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: 3, replica: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -274.809804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.809804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.809804 (E_RNA)
where:
Base-Base interactions energy: -186.375
where: short stacking energy: -87.177
Base-Backbone interact. energy: -0.084
local terms energy: -88.351511
where:
bonds (distance) C4'-P energy: -11.380
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -21.168
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -22.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -270.993048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.993048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.993048 (E_RNA)
where:
Base-Base interactions energy: -177.194
where: short stacking energy: -89.370
Base-Backbone interact. energy: -0.214
local terms energy: -93.585413
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -259.806825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.806825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.806825 (E_RNA)
where:
Base-Base interactions energy: -176.109
where: short stacking energy: -74.675
Base-Backbone interact. energy: 0.333
local terms energy: -84.031201
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -11.423
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -18.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -265.736248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.736248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.736248 (E_RNA)
where:
Base-Base interactions energy: -180.902
where: short stacking energy: -89.544
Base-Backbone interact. energy: -0.002
local terms energy: -84.832065
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -19.043
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -24.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -253.397577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.397577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.397577 (E_RNA)
where:
Base-Base interactions energy: -168.039
where: short stacking energy: -82.339
Base-Backbone interact. energy: -0.012
local terms energy: -85.347337
where:
bonds (distance) C4'-P energy: -20.205
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -8.764
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: 8, replica: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -178.939939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.939939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.939939 (E_RNA)
where:
Base-Base interactions energy: -107.238
where: short stacking energy: -46.387
Base-Backbone interact. energy: 2.380
local terms energy: -74.082154
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -21.677
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -13.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -100.105108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.105108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.105108 (E_RNA)
where:
Base-Base interactions energy: -38.068
where: short stacking energy: -29.306
Base-Backbone interact. energy: -0.121
local terms energy: -61.916828
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -8.494
tors. eta vs tors. theta energy: 3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -97.068356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.068356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.068356 (E_RNA)
where:
Base-Base interactions energy: -50.432
where: short stacking energy: -27.275
Base-Backbone interact. energy: 0.051
local terms energy: -46.687709
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -4.149
tors. eta vs tors. theta energy: 3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -310.620533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.620533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.620533 (E_RNA)
where:
Base-Base interactions energy: -211.260
where: short stacking energy: -86.348
Base-Backbone interact. energy: -0.002
local terms energy: -99.359061
where:
bonds (distance) C4'-P energy: -20.695
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -17.681
tors. eta vs tors. theta energy: -22.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -280.025462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.025462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.025462 (E_RNA)
where:
Base-Base interactions energy: -181.132
where: short stacking energy: -84.660
Base-Backbone interact. energy: 0.507
local terms energy: -99.400437
where:
bonds (distance) C4'-P energy: -22.532
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -22.201
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -20.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -308.590346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.590346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.590346 (E_RNA)
where:
Base-Base interactions energy: -220.015
where: short stacking energy: -81.701
Base-Backbone interact. energy: -0.643
local terms energy: -87.932447
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -18.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -278.188235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.188235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.188235 (E_RNA)
where:
Base-Base interactions energy: -181.983
where: short stacking energy: -85.443
Base-Backbone interact. energy: -0.827
local terms energy: -95.378347
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -22.238
flat angles P-C4'-P energy: -11.329
tors. eta vs tors. theta energy: -22.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -272.781135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.781135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.781135 (E_RNA)
where:
Base-Base interactions energy: -180.032
where: short stacking energy: -84.585
Base-Backbone interact. energy: -0.242
local terms energy: -92.507012
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -20.362
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -27.443
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: 271
Temperature: 1.150000
Total energy: -265.850740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.850740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.850740 (E_RNA)
where:
Base-Base interactions energy: -182.557
where: short stacking energy: -75.210
Base-Backbone interact. energy: 0.276
local terms energy: -83.570037
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -12.327
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: 7, replica: 8
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -264.057955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.057955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.057955 (E_RNA)
where:
Base-Base interactions energy: -181.394
where: short stacking energy: -78.802
Base-Backbone interact. energy: -0.051
local terms energy: -82.613012
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -12.861
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -184.731720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.731720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.731720 (E_RNA)
where:
Base-Base interactions energy: -119.552
where: short stacking energy: -61.750
Base-Backbone interact. energy: -0.212
local terms energy: -64.967729
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -8.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -114.133240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.133240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.133240 (E_RNA)
where:
Base-Base interactions energy: -50.089
where: short stacking energy: -47.434
Base-Backbone interact. energy: -0.101
local terms energy: -63.942376
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -88.139588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.139588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.139588 (E_RNA)
where:
Base-Base interactions energy: -36.511
where: short stacking energy: -24.787
Base-Backbone interact. energy: -0.490
local terms energy: -51.138324
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: 4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -281.691341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.691341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.691341 (E_RNA)
where:
Base-Base interactions energy: -192.130
where: short stacking energy: -91.193
Base-Backbone interact. energy: 0.644
local terms energy: -90.205397
where:
bonds (distance) C4'-P energy: -18.757
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -305.673814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.673814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.673814 (E_RNA)
where:
Base-Base interactions energy: -204.160
where: short stacking energy: -91.954
Base-Backbone interact. energy: -0.277
local terms energy: -101.236927
where:
bonds (distance) C4'-P energy: -20.814
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -14.350
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: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -297.280151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.280151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.280151 (E_RNA)
where:
Base-Base interactions energy: -210.473
where: short stacking energy: -81.935
Base-Backbone interact. energy: 1.803
local terms energy: -88.610095
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -18.683
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -20.724
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: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -281.851147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.851147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.851147 (E_RNA)
where:
Base-Base interactions energy: -181.195
where: short stacking energy: -93.214
Base-Backbone interact. energy: -0.011
local terms energy: -100.645269
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -22.395
flat angles P-C4'-P energy: -13.874
tors. eta vs tors. theta energy: -26.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -265.863738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.863738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.863738 (E_RNA)
where:
Base-Base interactions energy: -168.173
where: short stacking energy: -71.783
Base-Backbone interact. energy: 1.528
local terms energy: -99.219047
where:
bonds (distance) C4'-P energy: -16.930
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -23.449
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -275.758271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.758271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.758271 (E_RNA)
where:
Base-Base interactions energy: -186.117
where: short stacking energy: -81.314
Base-Backbone interact. energy: -0.104
local terms energy: -89.537417
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -15.378
tors. eta vs tors. theta energy: -22.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -255.209282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.209282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.209282 (E_RNA)
where:
Base-Base interactions energy: -163.471
where: short stacking energy: -71.074
Base-Backbone interact. energy: -0.205
local terms energy: -91.533573
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -18.747
flat angles P-C4'-P energy: -14.073
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: 8, replica: 6
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -198.153729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.153729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.153729 (E_RNA)
where:
Base-Base interactions energy: -133.263
where: short stacking energy: -52.142
Base-Backbone interact. energy: -0.228
local terms energy: -64.661935
where:
bonds (distance) C4'-P energy: -18.595
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -7.540
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: 9, replica: 3
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -108.680466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.680466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.680466 (E_RNA)
where:
Base-Base interactions energy: -38.140
where: short stacking energy: -30.347
Base-Backbone interact. energy: -0.359
local terms energy: -70.181371
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -6.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -81.075242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.075242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.075242 (E_RNA)
where:
Base-Base interactions energy: -31.900
where: short stacking energy: -27.650
Base-Backbone interact. energy: -1.188
local terms energy: -47.986493
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -14.379
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: 2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -290.823806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.823806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.823806 (E_RNA)
where:
Base-Base interactions energy: -193.533
where: short stacking energy: -92.575
Base-Backbone interact. energy: -0.075
local terms energy: -97.216378
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -16.040
tors. eta vs tors. theta energy: -28.595
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: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -304.651004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.651004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.651004 (E_RNA)
where:
Base-Base interactions energy: -211.284
where: short stacking energy: -82.983
Base-Backbone interact. energy: -0.705
local terms energy: -92.661686
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -21.476
flat angles P-C4'-P energy: -16.342
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -293.732863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.732863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.732863 (E_RNA)
where:
Base-Base interactions energy: -196.313
where: short stacking energy: -89.631
Base-Backbone interact. energy: -0.393
local terms energy: -97.027256
where:
bonds (distance) C4'-P energy: -17.657
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -25.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -278.039781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.039781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.039781 (E_RNA)
where:
Base-Base interactions energy: -184.185
where: short stacking energy: -80.798
Base-Backbone interact. energy: -1.108
local terms energy: -92.746487
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -18.417
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -23.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -263.063189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.063189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.063189 (E_RNA)
where:
Base-Base interactions energy: -176.295
where: short stacking energy: -80.171
Base-Backbone interact. energy: 1.612
local terms energy: -88.380800
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -19.599
flat angles P-C4'-P energy: -16.618
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -262.140830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.140830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.140830 (E_RNA)
where:
Base-Base interactions energy: -178.879
where: short stacking energy: -74.314
Base-Backbone interact. energy: -0.652
local terms energy: -82.610282
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -19.174
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: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -246.024030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.024030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.024030 (E_RNA)
where:
Base-Base interactions energy: -168.848
where: short stacking energy: -78.337
Base-Backbone interact. energy: -0.019
local terms energy: -77.156537
where:
bonds (distance) C4'-P energy: -8.343
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -18.791
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -19.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -155.604690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.604690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.604690 (E_RNA)
where:
Base-Base interactions energy: -95.447
where: short stacking energy: -48.328
Base-Backbone interact. energy: -0.536
local terms energy: -59.621390
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -4.268
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: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -110.950282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.950282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.950282 (E_RNA)
where:
Base-Base interactions energy: -45.944
where: short stacking energy: -41.662
Base-Backbone interact. energy: -0.251
local terms energy: -64.754757
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -7.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -94.832227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.832227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.832227 (E_RNA)
where:
Base-Base interactions energy: -42.321
where: short stacking energy: -42.320
Base-Backbone interact. energy: 1.635
local terms energy: -54.146381
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -6.608
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: 9
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -310.220086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.220086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.220086 (E_RNA)
where:
Base-Base interactions energy: -219.692
where: short stacking energy: -91.674
Base-Backbone interact. energy: -0.573
local terms energy: -89.954532
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -15.749
tors. eta vs tors. theta energy: -16.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -310.218459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.218459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.218459 (E_RNA)
where:
Base-Base interactions energy: -214.306
where: short stacking energy: -100.931
Base-Backbone interact. energy: -0.007
local terms energy: -95.905932
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -18.701
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -24.258
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: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -288.487610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.487610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.487610 (E_RNA)
where:
Base-Base interactions energy: -197.471
where: short stacking energy: -85.963
Base-Backbone interact. energy: -0.006
local terms energy: -91.010367
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -17.891
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -27.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -287.521635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.521635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.521635 (E_RNA)
where:
Base-Base interactions energy: -190.874
where: short stacking energy: -90.292
Base-Backbone interact. energy: -0.258
local terms energy: -96.389517
where:
bonds (distance) C4'-P energy: -20.780
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -21.711
flat angles P-C4'-P energy: -7.307
tors. eta vs tors. theta energy: -27.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -272.003710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.003710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.003710 (E_RNA)
where:
Base-Base interactions energy: -184.612
where: short stacking energy: -80.625
Base-Backbone interact. energy: -0.053
local terms energy: -87.338047
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -23.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -259.179463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.179463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.179463 (E_RNA)
where:
Base-Base interactions energy: -175.087
where: short stacking energy: -80.551
Base-Backbone interact. energy: -0.553
local terms energy: -83.539553
where:
bonds (distance) C4'-P energy: -13.546
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -11.953
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: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -257.468146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.468146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.468146 (E_RNA)
where:
Base-Base interactions energy: -179.805
where: short stacking energy: -72.122
Base-Backbone interact. energy: -0.105
local terms energy: -77.558468
where:
bonds (distance) C4'-P energy: -18.131
bonds (distance) P-C4' energy: -11.185
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -19.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -172.938856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.938856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.938856 (E_RNA)
where:
Base-Base interactions energy: -102.749
where: short stacking energy: -55.542
Base-Backbone interact. energy: -0.148
local terms energy: -70.041757
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -7.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -98.620241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.620241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.620241 (E_RNA)
where:
Base-Base interactions energy: -43.747
where: short stacking energy: -31.914
Base-Backbone interact. energy: -0.089
local terms energy: -54.784989
where:
bonds (distance) C4'-P energy: -15.523
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -8.834
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -0.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -100.816762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.816762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.816762 (E_RNA)
where:
Base-Base interactions energy: -44.465
where: short stacking energy: -33.597
Base-Backbone interact. energy: -0.057
local terms energy: -56.295435
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -315.680240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.680240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.680240 (E_RNA)
where:
Base-Base interactions energy: -228.850
where: short stacking energy: -90.661
Base-Backbone interact. energy: -0.458
local terms energy: -86.372233
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -22.033
flat angles C4'-P-C4' energy: -20.717
flat angles P-C4'-P energy: -11.772
tors. eta vs tors. theta energy: -16.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -310.131301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.131301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.131301 (E_RNA)
where:
Base-Base interactions energy: -207.827
where: short stacking energy: -91.099
Base-Backbone interact. energy: -0.093
local terms energy: -102.210813
where:
bonds (distance) C4'-P energy: -19.813
bonds (distance) P-C4' energy: -19.948
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -25.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -302.742914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.742914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.742914 (E_RNA)
where:
Base-Base interactions energy: -199.754
where: short stacking energy: -92.218
Base-Backbone interact. energy: -1.655
local terms energy: -101.333928
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -21.996
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -27.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -289.977769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.977769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.977769 (E_RNA)
where:
Base-Base interactions energy: -190.280
where: short stacking energy: -90.178
Base-Backbone interact. energy: -1.505
local terms energy: -98.192866
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -19.023
flat angles P-C4'-P energy: -16.801
tors. eta vs tors. theta energy: -24.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -261.919958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.919958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.919958 (E_RNA)
where:
Base-Base interactions energy: -171.812
where: short stacking energy: -85.992
Base-Backbone interact. energy: -0.001
local terms energy: -90.106674
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -19.307
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -23.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -251.994051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.994051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.994051 (E_RNA)
where:
Base-Base interactions energy: -163.627
where: short stacking energy: -81.981
Base-Backbone interact. energy: -0.008
local terms energy: -88.359096
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -24.910
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: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -249.541783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.541783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.541783 (E_RNA)
where:
Base-Base interactions energy: -168.376
where: short stacking energy: -75.316
Base-Backbone interact. energy: -1.635
local terms energy: -79.530671
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -182.781869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.781869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.781869 (E_RNA)
where:
Base-Base interactions energy: -116.330
where: short stacking energy: -62.657
Base-Backbone interact. energy: -0.507
local terms energy: -65.944091
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -10.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -96.457458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.457458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.457458 (E_RNA)
where:
Base-Base interactions energy: -34.226
where: short stacking energy: -29.338
Base-Backbone interact. energy: -0.029
local terms energy: -62.202012
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -13.739
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -0.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -100.595710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.595710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.595710 (E_RNA)
where:
Base-Base interactions energy: -40.294
where: short stacking energy: -38.807
Base-Backbone interact. energy: -0.345
local terms energy: -59.956999
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -18.824
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -2.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -309.651681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.651681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.651681 (E_RNA)
where:
Base-Base interactions energy: -210.265
where: short stacking energy: -88.931
Base-Backbone interact. energy: -0.048
local terms energy: -99.339325
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -18.828
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -24.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -298.423523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.423523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.423523 (E_RNA)
where:
Base-Base interactions energy: -207.393
where: short stacking energy: -77.189
Base-Backbone interact. energy: -1.536
local terms energy: -89.493692
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -21.883
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -17.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -286.895676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.895676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.895676 (E_RNA)
where:
Base-Base interactions energy: -196.702
where: short stacking energy: -87.040
Base-Backbone interact. energy: -0.071
local terms energy: -90.122671
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -287.453254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.453254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.453254 (E_RNA)
where:
Base-Base interactions energy: -188.704
where: short stacking energy: -92.093
Base-Backbone interact. energy: 0.246
local terms energy: -98.995532
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -14.611
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -28.773
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: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -270.468722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.468722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.468722 (E_RNA)
where:
Base-Base interactions energy: -190.586
where: short stacking energy: -91.055
Base-Backbone interact. energy: -0.045
local terms energy: -79.837427
where:
bonds (distance) C4'-P energy: -7.951
bonds (distance) P-C4' energy: -11.717
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -25.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -262.030521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.030521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.030521 (E_RNA)
where:
Base-Base interactions energy: -171.003
where: short stacking energy: -87.424
Base-Backbone interact. energy: -0.710
local terms energy: -90.318166
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -24.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -253.833221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.833221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.833221 (E_RNA)
where:
Base-Base interactions energy: -169.458
where: short stacking energy: -79.167
Base-Backbone interact. energy: -0.153
local terms energy: -84.222420
where:
bonds (distance) C4'-P energy: -19.662
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -21.767
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: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -184.073010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.073010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.073010 (E_RNA)
where:
Base-Base interactions energy: -112.579
where: short stacking energy: -57.321
Base-Backbone interact. energy: -0.152
local terms energy: -71.342033
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -9.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -106.572607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.572607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.572607 (E_RNA)
where:
Base-Base interactions energy: -49.566
where: short stacking energy: -36.724
Base-Backbone interact. energy: -0.455
local terms energy: -56.550890
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -3.561
tors. eta vs tors. theta energy: -5.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -83.382459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.382459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.382459 (E_RNA)
where:
Base-Base interactions energy: -35.655
where: short stacking energy: -28.593
Base-Backbone interact. energy: 0.304
local terms energy: -48.031064
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -7.927
tors. eta vs tors. theta energy: 0.002
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: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -308.339889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.339889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.339889 (E_RNA)
where:
Base-Base interactions energy: -205.558
where: short stacking energy: -90.453
Base-Backbone interact. energy: -0.012
local terms energy: -102.769664
where:
bonds (distance) C4'-P energy: -19.792
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -21.101
flat angles P-C4'-P energy: -18.448
tors. eta vs tors. theta energy: -23.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -284.107603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.107603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.107603 (E_RNA)
where:
Base-Base interactions energy: -179.882
where: short stacking energy: -90.529
Base-Backbone interact. energy: -0.105
local terms energy: -104.120460
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -21.129
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -26.758
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: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -295.742118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.742118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.742118 (E_RNA)
where:
Base-Base interactions energy: -205.186
where: short stacking energy: -80.812
Base-Backbone interact. energy: 0.409
local terms energy: -90.965242
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -21.954
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -285.489307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.489307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.489307 (E_RNA)
where:
Base-Base interactions energy: -189.842
where: short stacking energy: -90.076
Base-Backbone interact. energy: -0.815
local terms energy: -94.832384
where:
bonds (distance) C4'-P energy: -18.815
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -14.163
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: 2
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -290.463269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.463269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.463269 (E_RNA)
where:
Base-Base interactions energy: -199.418
where: short stacking energy: -89.147
Base-Backbone interact. energy: -1.347
local terms energy: -89.699024
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -25.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -257.783219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.783219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.783219 (E_RNA)
where:
Base-Base interactions energy: -172.151
where: short stacking energy: -84.328
Base-Backbone interact. energy: -0.075
local terms energy: -85.557920
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -13.344
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -246.055909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.055909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.055909 (E_RNA)
where:
Base-Base interactions energy: -173.414
where: short stacking energy: -73.265
Base-Backbone interact. energy: -0.892
local terms energy: -71.749908
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -195.702940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.702940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.702940 (E_RNA)
where:
Base-Base interactions energy: -120.360
where: short stacking energy: -55.634
Base-Backbone interact. energy: -0.085
local terms energy: -75.257503
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -14.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -95.597870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.597870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.597870 (E_RNA)
where:
Base-Base interactions energy: -37.394
where: short stacking energy: -25.779
Base-Backbone interact. energy: -0.024
local terms energy: -58.179549
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: 0.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -97.142617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.142617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.142617 (E_RNA)
where:
Base-Base interactions energy: -40.303
where: short stacking energy: -27.119
Base-Backbone interact. energy: -0.272
local terms energy: -56.567788
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -8.478
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -307.796026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.796026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.796026 (E_RNA)
where:
Base-Base interactions energy: -204.102
where: short stacking energy: -87.580
Base-Backbone interact. energy: -0.439
local terms energy: -103.254541
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -21.576
flat angles C4'-P-C4' energy: -23.226
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -24.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -290.548075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.548075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.548075 (E_RNA)
where:
Base-Base interactions energy: -195.429
where: short stacking energy: -101.352
Base-Backbone interact. energy: -0.249
local terms energy: -94.869507
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -21.500
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -24.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -301.929030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.929030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.929030 (E_RNA)
where:
Base-Base interactions energy: -208.934
where: short stacking energy: -80.661
Base-Backbone interact. energy: -0.424
local terms energy: -92.571311
where:
bonds (distance) C4'-P energy: -17.411
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -21.425
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -21.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -279.272661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.272661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.272661 (E_RNA)
where:
Base-Base interactions energy: -184.796
where: short stacking energy: -88.198
Base-Backbone interact. energy: 0.827
local terms energy: -95.303862
where:
bonds (distance) C4'-P energy: -18.193
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -27.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -287.517787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.517787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.517787 (E_RNA)
where:
Base-Base interactions energy: -200.491
where: short stacking energy: -82.054
Base-Backbone interact. energy: -0.069
local terms energy: -86.957607
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -25.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -262.262027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.262027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.262027 (E_RNA)
where:
Base-Base interactions energy: -176.470
where: short stacking energy: -83.212
Base-Backbone interact. energy: -0.037
local terms energy: -85.754967
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -20.444
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -23.573
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: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -261.261122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.261122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.261122 (E_RNA)
where:
Base-Base interactions energy: -169.895
where: short stacking energy: -78.519
Base-Backbone interact. energy: -0.130
local terms energy: -91.236735
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -19.604
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -25.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -185.064356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.064356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.064356 (E_RNA)
where:
Base-Base interactions energy: -102.330
where: short stacking energy: -57.105
Base-Backbone interact. energy: -0.311
local terms energy: -82.423453
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -21.567
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -15.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -102.326871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.326871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.326871 (E_RNA)
where:
Base-Base interactions energy: -37.771
where: short stacking energy: -31.354
Base-Backbone interact. energy: 0.078
local terms energy: -64.633369
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -3.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -111.088744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.088744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.088744 (E_RNA)
where:
Base-Base interactions energy: -49.334
where: short stacking energy: -45.266
Base-Backbone interact. energy: 0.538
local terms energy: -62.292470
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -8.839
tors. eta vs tors. theta energy: -11.363
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: 7
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -302.640066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.640066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.640066 (E_RNA)
where:
Base-Base interactions energy: -206.503
where: short stacking energy: -94.357
Base-Backbone interact. energy: -0.116
local terms energy: -96.021187
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -21.363
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -23.949
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: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -306.886077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.886077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.886077 (E_RNA)
where:
Base-Base interactions energy: -208.738
where: short stacking energy: -87.957
Base-Backbone interact. energy: -0.551
local terms energy: -97.596592
where:
bonds (distance) C4'-P energy: -19.995
bonds (distance) P-C4' energy: -22.759
flat angles C4'-P-C4' energy: -19.071
flat angles P-C4'-P energy: -14.209
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: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -281.426228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.426228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.426228 (E_RNA)
where:
Base-Base interactions energy: -197.028
where: short stacking energy: -83.607
Base-Backbone interact. energy: -0.070
local terms energy: -84.328804
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -19.015
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -25.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -292.138070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.138070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.138070 (E_RNA)
where:
Base-Base interactions energy: -199.695
where: short stacking energy: -90.146
Base-Backbone interact. energy: 0.264
local terms energy: -92.706858
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -22.216
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -22.417
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: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -261.992677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.992677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.992677 (E_RNA)
where:
Base-Base interactions energy: -185.761
where: short stacking energy: -82.054
Base-Backbone interact. energy: -1.062
local terms energy: -75.169862
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -20.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -253.654117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.654117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.654117 (E_RNA)
where:
Base-Base interactions energy: -170.849
where: short stacking energy: -81.064
Base-Backbone interact. energy: -0.501
local terms energy: -82.304387
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -21.937
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: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -254.771137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.771137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.771137 (E_RNA)
where:
Base-Base interactions energy: -174.868
where: short stacking energy: -77.293
Base-Backbone interact. energy: -0.143
local terms energy: -79.760749
where:
bonds (distance) C4'-P energy: -6.793
bonds (distance) P-C4' energy: -18.481
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -26.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -154.414978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.414978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.414978 (E_RNA)
where:
Base-Base interactions energy: -87.618
where: short stacking energy: -57.723
Base-Backbone interact. energy: 1.433
local terms energy: -68.230741
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -8.543
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: 279
Temperature: 1.300000
Total energy: -101.264009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.264009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.264009 (E_RNA)
where:
Base-Base interactions energy: -34.100
where: short stacking energy: -28.321
Base-Backbone interact. energy: -0.331
local terms energy: -66.833563
where:
bonds (distance) C4'-P energy: -19.020
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -4.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -101.690979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.690979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.690979 (E_RNA)
where:
Base-Base interactions energy: -38.556
where: short stacking energy: -38.556
Base-Backbone interact. energy: 1.197
local terms energy: -64.331876
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -9.067
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: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -307.360705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.360705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.360705 (E_RNA)
where:
Base-Base interactions energy: -216.738
where: short stacking energy: -92.408
Base-Backbone interact. energy: 1.253
local terms energy: -91.876527
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -23.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -298.600755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.600755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.600755 (E_RNA)
where:
Base-Base interactions energy: -207.906
where: short stacking energy: -84.947
Base-Backbone interact. energy: 0.816
local terms energy: -91.510137
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -18.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -293.409004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.409004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.409004 (E_RNA)
where:
Base-Base interactions energy: -201.004
where: short stacking energy: -91.636
Base-Backbone interact. energy: -0.004
local terms energy: -92.401114
where:
bonds (distance) C4'-P energy: -19.675
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -22.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -277.853575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.853575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.853575 (E_RNA)
where:
Base-Base interactions energy: -182.177
where: short stacking energy: -83.761
Base-Backbone interact. energy: -0.548
local terms energy: -95.128533
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -20.271
flat angles C4'-P-C4' energy: -20.804
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -25.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -256.641103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.641103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.641103 (E_RNA)
where:
Base-Base interactions energy: -176.115
where: short stacking energy: -86.012
Base-Backbone interact. energy: -0.171
local terms energy: -80.355433
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -6.077
tors. eta vs tors. theta energy: -22.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -255.227225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.227225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.227225 (E_RNA)
where:
Base-Base interactions energy: -172.262
where: short stacking energy: -78.734
Base-Backbone interact. energy: -0.033
local terms energy: -82.932344
where:
bonds (distance) C4'-P energy: -7.573
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -22.534
flat angles P-C4'-P energy: -11.873
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: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -257.119461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.119461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.119461 (E_RNA)
where:
Base-Base interactions energy: -170.644
where: short stacking energy: -80.969
Base-Backbone interact. energy: -0.127
local terms energy: -86.349247
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -18.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -163.075227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.075227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.075227 (E_RNA)
where:
Base-Base interactions energy: -98.392
where: short stacking energy: -49.805
Base-Backbone interact. energy: -0.092
local terms energy: -64.591159
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -2.480
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: 9, replica: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -106.729633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.729633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.729633 (E_RNA)
where:
Base-Base interactions energy: -44.501
where: short stacking energy: -35.967
Base-Backbone interact. energy: -0.177
local terms energy: -62.050958
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -3.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -103.735980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.735980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.735980 (E_RNA)
where:
Base-Base interactions energy: -57.348
where: short stacking energy: -25.195
Base-Backbone interact. energy: -0.311
local terms energy: -46.076443
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -15.244
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -5.827
tors. eta vs tors. theta energy: 4.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -309.470655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.470655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.470655 (E_RNA)
where:
Base-Base interactions energy: -210.746
where: short stacking energy: -81.068
Base-Backbone interact. energy: -0.051
local terms energy: -98.673994
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -21.919
flat angles P-C4'-P energy: -14.933
tors. eta vs tors. theta energy: -23.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -303.937554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.937554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.937554 (E_RNA)
where:
Base-Base interactions energy: -211.396
where: short stacking energy: -92.356
Base-Backbone interact. energy: -0.146
local terms energy: -92.395639
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -22.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -295.933956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.933956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.933956 (E_RNA)
where:
Base-Base interactions energy: -211.261
where: short stacking energy: -77.375
Base-Backbone interact. energy: -0.175
local terms energy: -84.497400
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -284.317914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.317914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.317914 (E_RNA)
where:
Base-Base interactions energy: -187.234
where: short stacking energy: -97.026
Base-Backbone interact. energy: -1.072
local terms energy: -96.011960
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: -27.947
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: 281
Temperature: 1.100000
Total energy: -259.200795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.200795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.200795 (E_RNA)
where:
Base-Base interactions energy: -166.363
where: short stacking energy: -82.249
Base-Backbone interact. energy: -1.057
local terms energy: -91.780341
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -265.962417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.962417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.962417 (E_RNA)
where:
Base-Base interactions energy: -177.650
where: short stacking energy: -77.315
Base-Backbone interact. energy: -0.008
local terms energy: -88.304142
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -23.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -254.399173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.399173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.399173 (E_RNA)
where:
Base-Base interactions energy: -171.293
where: short stacking energy: -79.427
Base-Backbone interact. energy: 1.849
local terms energy: -84.955747
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -21.890
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -170.298318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.298318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.298318 (E_RNA)
where:
Base-Base interactions energy: -101.136
where: short stacking energy: -56.629
Base-Backbone interact. energy: -0.191
local terms energy: -68.971080
where:
bonds (distance) C4'-P energy: -7.649
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -19.757
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -9.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -112.167468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.167468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.167468 (E_RNA)
where:
Base-Base interactions energy: -49.994
where: short stacking energy: -46.603
Base-Backbone interact. energy: -0.408
local terms energy: -61.765935
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -8.371
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: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -101.514768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.514768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.514768 (E_RNA)
where:
Base-Base interactions energy: -25.844
where: short stacking energy: -25.844
Base-Backbone interact. energy: -0.050
local terms energy: -75.620446
where:
bonds (distance) C4'-P energy: -20.524
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -10.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -298.597130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.597130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.597130 (E_RNA)
where:
Base-Base interactions energy: -200.264
where: short stacking energy: -87.460
Base-Backbone interact. energy: -0.066
local terms energy: -98.266636
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -16.091
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: 7
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -305.309508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.309508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.309508 (E_RNA)
where:
Base-Base interactions energy: -200.941
where: short stacking energy: -87.692
Base-Backbone interact. energy: -0.092
local terms energy: -104.276694
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -27.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -293.558597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.558597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.558597 (E_RNA)
where:
Base-Base interactions energy: -205.034
where: short stacking energy: -74.802
Base-Backbone interact. energy: 0.242
local terms energy: -88.766213
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -22.176
flat angles C4'-P-C4' energy: -21.228
flat angles P-C4'-P energy: -10.771
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: 4, replica: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -275.924406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.924406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.924406 (E_RNA)
where:
Base-Base interactions energy: -181.425
where: short stacking energy: -89.189
Base-Backbone interact. energy: -0.370
local terms energy: -94.129854
where:
bonds (distance) C4'-P energy: -18.217
bonds (distance) P-C4' energy: -20.307
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -21.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -279.701074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.701074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.701074 (E_RNA)
where:
Base-Base interactions energy: -196.505
where: short stacking energy: -95.248
Base-Backbone interact. energy: -0.050
local terms energy: -83.146163
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -11.825
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -26.149
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: 8
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -264.149552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.149552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.149552 (E_RNA)
where:
Base-Base interactions energy: -172.826
where: short stacking energy: -79.547
Base-Backbone interact. energy: -0.340
local terms energy: -90.982798
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -22.247
flat angles C4'-P-C4' energy: -18.744
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -23.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -267.984699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.984699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.984699 (E_RNA)
where:
Base-Base interactions energy: -183.173
where: short stacking energy: -79.838
Base-Backbone interact. energy: -0.015
local terms energy: -84.796169
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -20.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -186.108240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.108240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.108240 (E_RNA)
where:
Base-Base interactions energy: -106.731
where: short stacking energy: -54.011
Base-Backbone interact. energy: -0.134
local terms energy: -79.243867
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -23.034
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -110.439561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.439561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.439561 (E_RNA)
where:
Base-Base interactions energy: -36.398
where: short stacking energy: -36.398
Base-Backbone interact. energy: 1.364
local terms energy: -75.405481
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -10.259
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: 10, replica: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -89.000676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.000676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.000676 (E_RNA)
where:
Base-Base interactions energy: -38.350
where: short stacking energy: -33.871
Base-Backbone interact. energy: 2.456
local terms energy: -53.107094
where:
bonds (distance) C4'-P energy: -21.676
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -2.296
tors. eta vs tors. theta energy: -0.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -311.118072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.118072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.118072 (E_RNA)
where:
Base-Base interactions energy: -210.523
where: short stacking energy: -84.099
Base-Backbone interact. energy: -0.152
local terms energy: -100.444014
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -22.611
flat angles P-C4'-P energy: -17.103
tors. eta vs tors. theta energy: -23.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -303.204651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.204651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.204651 (E_RNA)
where:
Base-Base interactions energy: -216.503
where: short stacking energy: -96.934
Base-Backbone interact. energy: -0.199
local terms energy: -86.502612
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -14.314
tors. eta vs tors. theta energy: -19.884
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: 3, replica: 7
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -299.478813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.478813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.478813 (E_RNA)
where:
Base-Base interactions energy: -207.651
where: short stacking energy: -83.462
Base-Backbone interact. energy: -0.433
local terms energy: -91.394620
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -19.659
flat angles C4'-P-C4' energy: -18.616
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -24.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -268.556583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.556583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.556583 (E_RNA)
where:
Base-Base interactions energy: -183.457
where: short stacking energy: -88.218
Base-Backbone interact. energy: -0.148
local terms energy: -84.951927
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -13.069
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: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -268.975950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.975950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.975950 (E_RNA)
where:
Base-Base interactions energy: -174.260
where: short stacking energy: -77.451
Base-Backbone interact. energy: -0.036
local terms energy: -94.680420
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -19.522
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -21.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -257.385924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.385924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.385924 (E_RNA)
where:
Base-Base interactions energy: -176.331
where: short stacking energy: -84.188
Base-Backbone interact. energy: -0.014
local terms energy: -81.041652
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -6.472
tors. eta vs tors. theta energy: -24.227
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: 8
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -249.863472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.863472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.863472 (E_RNA)
where:
Base-Base interactions energy: -170.453
where: short stacking energy: -76.295
Base-Backbone interact. energy: 2.452
local terms energy: -81.862712
where:
bonds (distance) C4'-P energy: -14.996
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -22.695
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: 6
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -175.104003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.104003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.104003 (E_RNA)
where:
Base-Base interactions energy: -97.405
where: short stacking energy: -47.139
Base-Backbone interact. energy: -0.448
local terms energy: -77.251407
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -6.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -97.504924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.504924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.504924 (E_RNA)
where:
Base-Base interactions energy: -45.863
where: short stacking energy: -31.701
Base-Backbone interact. energy: -0.410
local terms energy: -51.232004
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -8.767
flat angles C4'-P-C4' energy: -9.420
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -100.903749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.903749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.903749 (E_RNA)
where:
Base-Base interactions energy: -34.603
where: short stacking energy: -34.190
Base-Backbone interact. energy: -0.162
local terms energy: -66.138508
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -6.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -310.680142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.680142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.680142 (E_RNA)
where:
Base-Base interactions energy: -213.777
where: short stacking energy: -87.134
Base-Backbone interact. energy: -0.062
local terms energy: -96.840474
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -21.409
flat angles P-C4'-P energy: -14.300
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -299.216738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.216738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.216738 (E_RNA)
where:
Base-Base interactions energy: -198.037
where: short stacking energy: -95.326
Base-Backbone interact. energy: 0.154
local terms energy: -101.334198
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -30.491
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: 7
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -309.622371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.622371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.622371 (E_RNA)
where:
Base-Base interactions energy: -217.808
where: short stacking energy: -85.083
Base-Backbone interact. energy: -0.794
local terms energy: -91.020970
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -19.383
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -25.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -285.159863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.159863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.159863 (E_RNA)
where:
Base-Base interactions energy: -179.976
where: short stacking energy: -89.208
Base-Backbone interact. energy: -1.775
local terms energy: -103.408784
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -20.073
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -16.757
tors. eta vs tors. theta energy: -26.813
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: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -276.669576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.669576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.669576 (E_RNA)
where:
Base-Base interactions energy: -182.413
where: short stacking energy: -84.778
Base-Backbone interact. energy: -0.161
local terms energy: -94.095765
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -21.120
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -22.706
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: 6, replica: 1
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -267.421401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.421401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.421401 (E_RNA)
where:
Base-Base interactions energy: -177.270
where: short stacking energy: -81.946
Base-Backbone interact. energy: 0.244
local terms energy: -90.395497
where:
bonds (distance) C4'-P energy: -19.364
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -13.083
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: 7, replica: 8
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -260.902761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.902761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.902761 (E_RNA)
where:
Base-Base interactions energy: -173.236
where: short stacking energy: -80.900
Base-Backbone interact. energy: -0.190
local terms energy: -87.476666
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -12.328
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: 8, replica: 6
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -176.363352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.363352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.363352 (E_RNA)
where:
Base-Base interactions energy: -101.003
where: short stacking energy: -56.306
Base-Backbone interact. energy: 0.564
local terms energy: -75.924153
where:
bonds (distance) C4'-P energy: -21.394
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: -10.859
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: 284
Temperature: 1.300000
Total energy: -106.344138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.344138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.344138 (E_RNA)
where:
Base-Base interactions energy: -45.111
where: short stacking energy: -40.074
Base-Backbone interact. energy: -0.828
local terms energy: -60.405307
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -95.326521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.326521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.326521 (E_RNA)
where:
Base-Base interactions energy: -34.653
where: short stacking energy: -22.507
Base-Backbone interact. energy: -0.222
local terms energy: -60.451936
where:
bonds (distance) C4'-P energy: -16.724
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -15.104
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: 0.119
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: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -301.822691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.822691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.822691 (E_RNA)
where:
Base-Base interactions energy: -205.351
where: short stacking energy: -89.354
Base-Backbone interact. energy: -1.575
local terms energy: -94.897494
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -22.172
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: 7
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -306.768119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.768119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.768119 (E_RNA)
where:
Base-Base interactions energy: -207.442
where: short stacking energy: -95.631
Base-Backbone interact. energy: -0.304
local terms energy: -99.022909
where:
bonds (distance) C4'-P energy: -21.182
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -22.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -287.503439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.503439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.503439 (E_RNA)
where:
Base-Base interactions energy: -183.710
where: short stacking energy: -81.081
Base-Backbone interact. energy: 0.603
local terms energy: -104.396429
where:
bonds (distance) C4'-P energy: -22.143
bonds (distance) P-C4' energy: -21.023
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -24.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -271.871425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.871425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.871425 (E_RNA)
where:
Base-Base interactions energy: -183.134
where: short stacking energy: -85.564
Base-Backbone interact. energy: -1.022
local terms energy: -87.715453
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -15.981
tors. eta vs tors. theta energy: -20.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -272.805310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.805310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.805310 (E_RNA)
where:
Base-Base interactions energy: -173.809
where: short stacking energy: -74.831
Base-Backbone interact. energy: -0.936
local terms energy: -98.060634
where:
bonds (distance) C4'-P energy: -20.499
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -12.425
tors. eta vs tors. theta energy: -27.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -282.658252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.658252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.658252 (E_RNA)
where:
Base-Base interactions energy: -190.203
where: short stacking energy: -95.739
Base-Backbone interact. energy: -0.866
local terms energy: -91.588570
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -29.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -262.326802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.326802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.326802 (E_RNA)
where:
Base-Base interactions energy: -167.786
where: short stacking energy: -72.520
Base-Backbone interact. energy: -2.122
local terms energy: -92.419700
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -191.877372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.877372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.877372 (E_RNA)
where:
Base-Base interactions energy: -114.685
where: short stacking energy: -60.473
Base-Backbone interact. energy: -0.025
local terms energy: -77.166724
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -10.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -107.328041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.328041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.328041 (E_RNA)
where:
Base-Base interactions energy: -33.900
where: short stacking energy: -29.392
Base-Backbone interact. energy: -0.689
local terms energy: -72.739200
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -15.686
tors. eta vs tors. theta energy: -5.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -97.883313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.883313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.883313 (E_RNA)
where:
Base-Base interactions energy: -32.201
where: short stacking energy: -26.911
Base-Backbone interact. energy: -0.279
local terms energy: -65.403425
where:
bonds (distance) C4'-P energy: -18.793
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -6.902
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -305.307585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.307585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.307585 (E_RNA)
where:
Base-Base interactions energy: -211.293
where: short stacking energy: -94.287
Base-Backbone interact. energy: -0.006
local terms energy: -94.008658
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -25.083
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: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -301.209116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.209116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.209116 (E_RNA)
where:
Base-Base interactions energy: -205.165
where: short stacking energy: -83.509
Base-Backbone interact. energy: -2.781
local terms energy: -93.263096
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -290.238540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.238540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.238540 (E_RNA)
where:
Base-Base interactions energy: -191.397
where: short stacking energy: -84.799
Base-Backbone interact. energy: -1.962
local terms energy: -96.879427
where:
bonds (distance) C4'-P energy: -18.864
bonds (distance) P-C4' energy: -19.524
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -28.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -286.786954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.786954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.786954 (E_RNA)
where:
Base-Base interactions energy: -196.703
where: short stacking energy: -93.650
Base-Backbone interact. energy: -0.132
local terms energy: -89.952668
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -23.189
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: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -281.278436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.278436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.278436 (E_RNA)
where:
Base-Base interactions energy: -188.054
where: short stacking energy: -76.969
Base-Backbone interact. energy: -0.567
local terms energy: -92.657154
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -19.449
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: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -269.607334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.607334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.607334 (E_RNA)
where:
Base-Base interactions energy: -181.126
where: short stacking energy: -75.763
Base-Backbone interact. energy: 0.264
local terms energy: -88.746119
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -14.978
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -12.179
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: 7, replica: 1
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -266.870587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.870587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.870587 (E_RNA)
where:
Base-Base interactions energy: -175.722
where: short stacking energy: -85.572
Base-Backbone interact. energy: -0.789
local terms energy: -90.360026
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -13.607
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: 8, replica: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -189.591758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.591758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.591758 (E_RNA)
where:
Base-Base interactions energy: -119.558
where: short stacking energy: -60.438
Base-Backbone interact. energy: -0.168
local terms energy: -69.865633
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: -11.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -95.371609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.371609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.371609 (E_RNA)
where:
Base-Base interactions energy: -42.820
where: short stacking energy: -19.611
Base-Backbone interact. energy: -0.209
local terms energy: -52.342418
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -9.729
tors. eta vs tors. theta energy: 3.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -96.675286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.675286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.675286 (E_RNA)
where:
Base-Base interactions energy: -34.878
where: short stacking energy: -26.551
Base-Backbone interact. energy: -0.176
local terms energy: -61.621291
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -5.354
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: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -311.112658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.112658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.112658 (E_RNA)
where:
Base-Base interactions energy: -203.975
where: short stacking energy: -89.293
Base-Backbone interact. energy: -0.538
local terms energy: -106.599622
where:
bonds (distance) C4'-P energy: -22.755
bonds (distance) P-C4' energy: -19.736
flat angles C4'-P-C4' energy: -19.880
flat angles P-C4'-P energy: -17.179
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: 2, replica: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -307.141713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.141713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.141713 (E_RNA)
where:
Base-Base interactions energy: -210.093
where: short stacking energy: -85.289
Base-Backbone interact. energy: -0.326
local terms energy: -96.722728
where:
bonds (distance) C4'-P energy: -20.583
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -23.233
flat angles P-C4'-P energy: -12.445
tors. eta vs tors. theta energy: -20.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -294.335926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.335926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.335926 (E_RNA)
where:
Base-Base interactions energy: -201.703
where: short stacking energy: -90.985
Base-Backbone interact. energy: -0.347
local terms energy: -92.285176
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -21.282
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -23.664
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: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -292.574714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.574714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.574714 (E_RNA)
where:
Base-Base interactions energy: -204.854
where: short stacking energy: -84.341
Base-Backbone interact. energy: -0.353
local terms energy: -87.367346
where:
bonds (distance) C4'-P energy: -18.160
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -13.992
tors. eta vs tors. theta energy: -23.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -278.356972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.356972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.356972 (E_RNA)
where:
Base-Base interactions energy: -182.647
where: short stacking energy: -92.121
Base-Backbone interact. energy: 0.188
local terms energy: -95.898078
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -27.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -256.953692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.953692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.953692 (E_RNA)
where:
Base-Base interactions energy: -169.963
where: short stacking energy: -84.730
Base-Backbone interact. energy: -0.068
local terms energy: -86.923173
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -25.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -260.870190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.870190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.870190 (E_RNA)
where:
Base-Base interactions energy: -165.160
where: short stacking energy: -78.472
Base-Backbone interact. energy: -0.699
local terms energy: -95.010989
where:
bonds (distance) C4'-P energy: -18.557
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -22.452
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: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -191.204539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.204539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.204539 (E_RNA)
where:
Base-Base interactions energy: -119.056
where: short stacking energy: -53.090
Base-Backbone interact. energy: 0.220
local terms energy: -72.369450
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -15.272
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -9.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -105.966906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.966906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.966906 (E_RNA)
where:
Base-Base interactions energy: -40.663
where: short stacking energy: -40.663
Base-Backbone interact. energy: -0.009
local terms energy: -65.295434
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -20.359
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -99.539341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.539341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.539341 (E_RNA)
where:
Base-Base interactions energy: -40.767
where: short stacking energy: -30.201
Base-Backbone interact. energy: -0.145
local terms energy: -58.627787
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -14.768
flat angles P-C4'-P energy: -7.879
tors. eta vs tors. theta energy: -2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -304.101671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.101671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.101671 (E_RNA)
where:
Base-Base interactions energy: -215.897
where: short stacking energy: -83.449
Base-Backbone interact. energy: 1.202
local terms energy: -89.405889
where:
bonds (distance) C4'-P energy: -20.284
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -18.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -306.127323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.127323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.127323 (E_RNA)
where:
Base-Base interactions energy: -197.996
where: short stacking energy: -83.849
Base-Backbone interact. energy: -0.578
local terms energy: -107.553499
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -20.953
flat angles C4'-P-C4' energy: -23.659
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -25.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -277.274111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.274111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.274111 (E_RNA)
where:
Base-Base interactions energy: -176.947
where: short stacking energy: -89.892
Base-Backbone interact. energy: -0.023
local terms energy: -100.303684
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -15.951
tors. eta vs tors. theta energy: -27.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -289.090708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.090708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.090708 (E_RNA)
where:
Base-Base interactions energy: -197.197
where: short stacking energy: -73.735
Base-Backbone interact. energy: 2.344
local terms energy: -94.237850
where:
bonds (distance) C4'-P energy: -23.521
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -21.092
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -259.169007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.169007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.169007 (E_RNA)
where:
Base-Base interactions energy: -166.974
where: short stacking energy: -80.246
Base-Backbone interact. energy: -0.719
local terms energy: -91.475232
where:
bonds (distance) C4'-P energy: -18.512
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -23.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -257.958334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.958334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.958334 (E_RNA)
where:
Base-Base interactions energy: -182.300
where: short stacking energy: -84.208
Base-Backbone interact. energy: -0.056
local terms energy: -75.602002
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -12.560
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -15.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -251.783249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.783249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.783249 (E_RNA)
where:
Base-Base interactions energy: -166.480
where: short stacking energy: -74.885
Base-Backbone interact. energy: -0.230
local terms energy: -85.072852
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -170.585152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.585152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.585152 (E_RNA)
where:
Base-Base interactions energy: -106.162
where: short stacking energy: -48.792
Base-Backbone interact. energy: -0.664
local terms energy: -63.759435
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -10.074
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -93.739960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.739960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.739960 (E_RNA)
where:
Base-Base interactions energy: -39.192
where: short stacking energy: -36.519
Base-Backbone interact. energy: -0.312
local terms energy: -54.236096
where:
bonds (distance) C4'-P energy: -17.879
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -11.435
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: 2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -93.005486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.005486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.005486 (E_RNA)
where:
Base-Base interactions energy: -40.030
where: short stacking energy: -28.188
Base-Backbone interact. energy: -0.111
local terms energy: -52.863946
where:
bonds (distance) C4'-P energy: -16.877
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -9.109
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: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -312.879881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.879881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.879881 (E_RNA)
where:
Base-Base interactions energy: -220.465
where: short stacking energy: -84.834
Base-Backbone interact. energy: -0.517
local terms energy: -91.898191
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -21.401
flat angles P-C4'-P energy: -14.257
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: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -305.973129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.973129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.973129 (E_RNA)
where:
Base-Base interactions energy: -206.682
where: short stacking energy: -80.014
Base-Backbone interact. energy: -0.010
local terms energy: -99.280575
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -19.803
flat angles C4'-P-C4' energy: -23.209
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -22.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -283.090224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.090224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.090224 (E_RNA)
where:
Base-Base interactions energy: -183.761
where: short stacking energy: -94.180
Base-Backbone interact. energy: -0.328
local terms energy: -99.001170
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -28.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -263.799493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.799493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.799493 (E_RNA)
where:
Base-Base interactions energy: -186.355
where: short stacking energy: -73.470
Base-Backbone interact. energy: 0.792
local terms energy: -78.236968
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -275.269157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.269157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.269157 (E_RNA)
where:
Base-Base interactions energy: -191.664
where: short stacking energy: -97.512
Base-Backbone interact. energy: -0.533
local terms energy: -83.071516
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -17.119
flat angles C4'-P-C4' energy: -13.825
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -26.663
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: 4
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -254.603718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.603718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.603718 (E_RNA)
where:
Base-Base interactions energy: -172.485
where: short stacking energy: -83.375
Base-Backbone interact. energy: -0.101
local terms energy: -82.018143
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -9.727
tors. eta vs tors. theta energy: -21.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -260.115492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.115492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.115492 (E_RNA)
where:
Base-Base interactions energy: -174.867
where: short stacking energy: -70.045
Base-Backbone interact. energy: -0.190
local terms energy: -85.058969
where:
bonds (distance) C4'-P energy: -12.779
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -157.975591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.975591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.975591 (E_RNA)
where:
Base-Base interactions energy: -92.837
where: short stacking energy: -45.405
Base-Backbone interact. energy: -0.070
local terms energy: -65.068115
where:
bonds (distance) C4'-P energy: -10.411
bonds (distance) P-C4' energy: -21.373
flat angles C4'-P-C4' energy: -14.190
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -9.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -108.110324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.110324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.110324 (E_RNA)
where:
Base-Base interactions energy: -41.373
where: short stacking energy: -33.150
Base-Backbone interact. energy: -0.247
local terms energy: -66.490324
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -5.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -94.994332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.994332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.994332 (E_RNA)
where:
Base-Base interactions energy: -34.101
where: short stacking energy: -33.941
Base-Backbone interact. energy: 3.260
local terms energy: -64.152925
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -15.191
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -313.670048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.670048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.670048 (E_RNA)
where:
Base-Base interactions energy: -215.633
where: short stacking energy: -92.953
Base-Backbone interact. energy: -0.020
local terms energy: -98.016820
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -20.974
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -22.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -302.148192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.148192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.148192 (E_RNA)
where:
Base-Base interactions energy: -215.409
where: short stacking energy: -90.642
Base-Backbone interact. energy: 0.889
local terms energy: -87.628946
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -18.504
flat angles P-C4'-P energy: -10.778
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: 3, replica: 1
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -282.388094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.388094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.388094 (E_RNA)
where:
Base-Base interactions energy: -185.500
where: short stacking energy: -95.750
Base-Backbone interact. energy: -0.814
local terms energy: -96.073874
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -19.278
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -28.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -275.169033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.169033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.169033 (E_RNA)
where:
Base-Base interactions energy: -182.821
where: short stacking energy: -86.945
Base-Backbone interact. energy: -0.110
local terms energy: -92.238323
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -15.603
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: 5, replica: 10
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -264.409704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.409704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.409704 (E_RNA)
where:
Base-Base interactions energy: -173.121
where: short stacking energy: -84.580
Base-Backbone interact. energy: -0.127
local terms energy: -91.161108
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -23.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -268.814132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.814132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.814132 (E_RNA)
where:
Base-Base interactions energy: -173.372
where: short stacking energy: -86.144
Base-Backbone interact. energy: -0.292
local terms energy: -95.149485
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -25.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -255.851420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.851420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.851420 (E_RNA)
where:
Base-Base interactions energy: -168.605
where: short stacking energy: -68.723
Base-Backbone interact. energy: -0.001
local terms energy: -87.244876
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -18.475
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -26.712
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: 8, replica: 6
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -135.433316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.433316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.433316 (E_RNA)
where:
Base-Base interactions energy: -65.880
where: short stacking energy: -38.102
Base-Backbone interact. energy: -1.368
local terms energy: -68.185788
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -14.008
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -103.964467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.964467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.964467 (E_RNA)
where:
Base-Base interactions energy: -40.383
where: short stacking energy: -33.232
Base-Backbone interact. energy: -0.341
local terms energy: -63.240452
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -10.045
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -11.119
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: 10, replica: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -98.658428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.658428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.658428 (E_RNA)
where:
Base-Base interactions energy: -40.886
where: short stacking energy: -35.012
Base-Backbone interact. energy: -0.252
local terms energy: -57.520277
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -4.652
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: 7
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -310.495156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.495156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.495156 (E_RNA)
where:
Base-Base interactions energy: -201.119
where: short stacking energy: -90.671
Base-Backbone interact. energy: -0.324
local terms energy: -109.052475
where:
bonds (distance) C4'-P energy: -22.105
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -21.272
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -27.595
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: 9
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -299.135730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.135730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.135730 (E_RNA)
where:
Base-Base interactions energy: -209.083
where: short stacking energy: -85.826
Base-Backbone interact. energy: -1.334
local terms energy: -88.718769
where:
bonds (distance) C4'-P energy: -20.596
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -12.082
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: 3, replica: 1
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -286.688795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.688795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.688795 (E_RNA)
where:
Base-Base interactions energy: -193.462
where: short stacking energy: -86.670
Base-Backbone interact. energy: -0.325
local terms energy: -92.901508
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -22.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -275.666927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.666927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.666927 (E_RNA)
where:
Base-Base interactions energy: -179.904
where: short stacking energy: -89.731
Base-Backbone interact. energy: -0.300
local terms energy: -95.462692
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -13.559
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: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -256.558818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.558818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.558818 (E_RNA)
where:
Base-Base interactions energy: -170.000
where: short stacking energy: -80.743
Base-Backbone interact. energy: -0.049
local terms energy: -86.509129
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -21.589
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: 6, replica: 4
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -267.265841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.265841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.265841 (E_RNA)
where:
Base-Base interactions energy: -184.013
where: short stacking energy: -77.051
Base-Backbone interact. energy: -0.272
local terms energy: -82.980460
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -22.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -258.237489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.237489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.237489 (E_RNA)
where:
Base-Base interactions energy: -184.170
where: short stacking energy: -73.755
Base-Backbone interact. energy: -0.615
local terms energy: -73.451626
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -15.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -142.202657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.202657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.202657 (E_RNA)
where:
Base-Base interactions energy: -72.461
where: short stacking energy: -39.967
Base-Backbone interact. energy: -0.398
local terms energy: -69.344478
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -4.224
tors. eta vs tors. theta energy: -12.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -114.075187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.075187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.075187 (E_RNA)
where:
Base-Base interactions energy: -50.908
where: short stacking energy: -34.936
Base-Backbone interact. energy: 6.131
local terms energy: -69.297728
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -7.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -87.559833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.559833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.559833 (E_RNA)
where:
Base-Base interactions energy: -30.692
where: short stacking energy: -19.150
Base-Backbone interact. energy: -0.204
local terms energy: -56.663450
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -16.729
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: 3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -315.101580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.101580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.101580 (E_RNA)
where:
Base-Base interactions energy: -222.235
where: short stacking energy: -89.067
Base-Backbone interact. energy: 0.131
local terms energy: -92.997756
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -21.096
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -18.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -311.650590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.650590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.650590 (E_RNA)
where:
Base-Base interactions energy: -206.466
where: short stacking energy: -89.662
Base-Backbone interact. energy: -0.487
local terms energy: -104.697303
where:
bonds (distance) C4'-P energy: -20.384
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -20.790
flat angles P-C4'-P energy: -14.623
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: 3, replica: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -283.024741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.024741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.024741 (E_RNA)
where:
Base-Base interactions energy: -190.079
where: short stacking energy: -89.971
Base-Backbone interact. energy: -0.626
local terms energy: -92.319515
where:
bonds (distance) C4'-P energy: -13.311
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -26.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -283.768241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.768241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.768241 (E_RNA)
where:
Base-Base interactions energy: -182.243
where: short stacking energy: -96.540
Base-Backbone interact. energy: -0.882
local terms energy: -100.644133
where:
bonds (distance) C4'-P energy: -13.611
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -22.419
flat angles P-C4'-P energy: -16.568
tors. eta vs tors. theta energy: -28.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -257.032731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.032731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.032731 (E_RNA)
where:
Base-Base interactions energy: -173.395
where: short stacking energy: -75.231
Base-Backbone interact. energy: -0.874
local terms energy: -82.763070
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -10.380
flat angles C4'-P-C4' energy: -21.795
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -19.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -248.280175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.280175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.280175 (E_RNA)
where:
Base-Base interactions energy: -163.734
where: short stacking energy: -69.711
Base-Backbone interact. energy: -0.146
local terms energy: -84.400154
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -13.950
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: 7, replica: 2
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -260.804957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.804957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.804957 (E_RNA)
where:
Base-Base interactions energy: -162.021
where: short stacking energy: -77.930
Base-Backbone interact. energy: -0.252
local terms energy: -98.532032
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -22.183
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -23.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -181.447273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.447273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.447273 (E_RNA)
where:
Base-Base interactions energy: -114.603
where: short stacking energy: -52.801
Base-Backbone interact. energy: -0.488
local terms energy: -66.356488
where:
bonds (distance) C4'-P energy: -14.094
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -2.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -96.601549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.601549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.601549 (E_RNA)
where:
Base-Base interactions energy: -38.518
where: short stacking energy: -38.018
Base-Backbone interact. energy: 0.118
local terms energy: -58.201489
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -87.914160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.914160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.914160 (E_RNA)
where:
Base-Base interactions energy: -31.049
where: short stacking energy: -31.049
Base-Backbone interact. energy: -0.244
local terms energy: -56.620938
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: 2.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -307.893175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.893175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.893175 (E_RNA)
where:
Base-Base interactions energy: -205.352
where: short stacking energy: -81.652
Base-Backbone interact. energy: -0.121
local terms energy: -102.420389
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -22.315
flat angles P-C4'-P energy: -17.280
tors. eta vs tors. theta energy: -22.652
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: 293
Temperature: 0.950000
Total energy: -302.796084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.796084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.796084 (E_RNA)
where:
Base-Base interactions energy: -211.864
where: short stacking energy: -86.072
Base-Backbone interact. energy: -1.191
local terms energy: -89.741273
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -18.289
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -21.972
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: 10
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -273.900463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.900463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.900463 (E_RNA)
where:
Base-Base interactions energy: -176.793
where: short stacking energy: -84.130
Base-Backbone interact. energy: -2.650
local terms energy: -94.457432
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -27.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -282.181231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.181231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.181231 (E_RNA)
where:
Base-Base interactions energy: -185.513
where: short stacking energy: -93.611
Base-Backbone interact. energy: -0.701
local terms energy: -95.967272
where:
bonds (distance) C4'-P energy: -20.453
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -10.974
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: 5, replica: 8
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -265.371852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.371852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.371852 (E_RNA)
where:
Base-Base interactions energy: -177.662
where: short stacking energy: -74.312
Base-Backbone interact. energy: -1.200
local terms energy: -86.509592
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -18.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -265.040806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.040806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.040806 (E_RNA)
where:
Base-Base interactions energy: -177.290
where: short stacking energy: -79.637
Base-Backbone interact. energy: 0.917
local terms energy: -88.667246
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -16.830
tors. eta vs tors. theta energy: -23.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -254.271996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.271996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.271996 (E_RNA)
where:
Base-Base interactions energy: -173.280
where: short stacking energy: -76.014
Base-Backbone interact. energy: -0.161
local terms energy: -80.830902
where:
bonds (distance) C4'-P energy: -12.544
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -22.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -197.558508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.558508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.558508 (E_RNA)
where:
Base-Base interactions energy: -125.631
where: short stacking energy: -57.396
Base-Backbone interact. energy: -0.038
local terms energy: -71.889903
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -5.186
tors. eta vs tors. theta energy: -12.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -108.203838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.203838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.203838 (E_RNA)
where:
Base-Base interactions energy: -42.477
where: short stacking energy: -42.477
Base-Backbone interact. energy: 1.033
local terms energy: -66.759936
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -5.895
tors. eta vs tors. theta energy: -7.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -95.569769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.569769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.569769 (E_RNA)
where:
Base-Base interactions energy: -47.167
where: short stacking energy: -28.879
Base-Backbone interact. energy: -0.181
local terms energy: -48.221294
where:
bonds (distance) C4'-P energy: -9.754
bonds (distance) P-C4' energy: -21.535
flat angles C4'-P-C4' energy: -9.800
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: 2.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -311.039522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.039522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.039522 (E_RNA)
where:
Base-Base interactions energy: -210.523
where: short stacking energy: -87.510
Base-Backbone interact. energy: -0.245
local terms energy: -100.271213
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -21.875
flat angles P-C4'-P energy: -16.651
tors. eta vs tors. theta energy: -20.376
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: 9
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -303.505930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.505930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.505930 (E_RNA)
where:
Base-Base interactions energy: -211.091
where: short stacking energy: -79.353
Base-Backbone interact. energy: -0.370
local terms energy: -92.044435
where:
bonds (distance) C4'-P energy: -18.649
bonds (distance) P-C4' energy: -21.426
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -284.872383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.872383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.872383 (E_RNA)
where:
Base-Base interactions energy: -184.622
where: short stacking energy: -91.189
Base-Backbone interact. energy: -0.008
local terms energy: -100.242319
where:
bonds (distance) C4'-P energy: -20.305
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -26.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -276.684610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.684610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.684610 (E_RNA)
where:
Base-Base interactions energy: -187.023
where: short stacking energy: -80.539
Base-Backbone interact. energy: -0.109
local terms energy: -89.552858
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -20.053
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -23.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -273.919038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.919038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.919038 (E_RNA)
where:
Base-Base interactions energy: -181.825
where: short stacking energy: -84.127
Base-Backbone interact. energy: -0.245
local terms energy: -91.848715
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -21.451
flat angles P-C4'-P energy: -13.123
tors. eta vs tors. theta energy: -26.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -258.465506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.465506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.465506 (E_RNA)
where:
Base-Base interactions energy: -175.528
where: short stacking energy: -77.234
Base-Backbone interact. energy: -0.013
local terms energy: -82.924151
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -17.532
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -20.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -257.090607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.090607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.090607 (E_RNA)
where:
Base-Base interactions energy: -173.565
where: short stacking energy: -81.798
Base-Backbone interact. energy: 0.934
local terms energy: -84.459030
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -22.711
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: 8, replica: 6
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -211.930659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.930659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.930659 (E_RNA)
where:
Base-Base interactions energy: -145.405
where: short stacking energy: -62.167
Base-Backbone interact. energy: 0.207
local terms energy: -66.732850
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -11.795
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -11.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -105.805092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.805092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.805092 (E_RNA)
where:
Base-Base interactions energy: -46.679
where: short stacking energy: -46.679
Base-Backbone interact. energy: -0.587
local terms energy: -58.539203
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -3.251
tors. eta vs tors. theta energy: -4.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -104.446717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.446717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.446717 (E_RNA)
where:
Base-Base interactions energy: -38.193
where: short stacking energy: -38.193
Base-Backbone interact. energy: -0.977
local terms energy: -65.276440
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -17.941
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -0.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -308.269006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.269006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.269006 (E_RNA)
where:
Base-Base interactions energy: -210.055
where: short stacking energy: -94.069
Base-Backbone interact. energy: -0.111
local terms energy: -98.102705
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -15.469
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: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -298.744661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.744661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.744661 (E_RNA)
where:
Base-Base interactions energy: -206.115
where: short stacking energy: -82.275
Base-Backbone interact. energy: -0.365
local terms energy: -92.265164
where:
bonds (distance) C4'-P energy: -21.327
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -21.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -285.871641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.871641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.871641 (E_RNA)
where:
Base-Base interactions energy: -185.625
where: short stacking energy: -88.618
Base-Backbone interact. energy: -0.001
local terms energy: -100.245826
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -27.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -280.334933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.334933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.334933 (E_RNA)
where:
Base-Base interactions energy: -188.779
where: short stacking energy: -91.540
Base-Backbone interact. energy: -0.013
local terms energy: -91.543086
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -16.359
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -12.044
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: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -264.889040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.889040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.889040 (E_RNA)
where:
Base-Base interactions energy: -180.291
where: short stacking energy: -79.372
Base-Backbone interact. energy: -0.200
local terms energy: -84.397785
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -19.325
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -20.201
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: 4
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -263.319200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.319200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.319200 (E_RNA)
where:
Base-Base interactions energy: -170.152
where: short stacking energy: -84.085
Base-Backbone interact. energy: -0.232
local terms energy: -92.935425
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -21.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -259.235926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.235926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.235926 (E_RNA)
where:
Base-Base interactions energy: -174.433
where: short stacking energy: -77.395
Base-Backbone interact. energy: -0.069
local terms energy: -84.733706
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -21.177
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -179.631577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.631577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.631577 (E_RNA)
where:
Base-Base interactions energy: -105.039
where: short stacking energy: -49.923
Base-Backbone interact. energy: -0.877
local terms energy: -73.716296
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -94.004746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.004746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.004746 (E_RNA)
where:
Base-Base interactions energy: -30.852
where: short stacking energy: -28.209
Base-Backbone interact. energy: -0.706
local terms energy: -62.447089
where:
bonds (distance) C4'-P energy: -19.117
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -87.461328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.461328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.461328 (E_RNA)
where:
Base-Base interactions energy: -37.022
where: short stacking energy: -36.688
Base-Backbone interact. energy: -0.094
local terms energy: -50.344776
where:
bonds (distance) C4'-P energy: -8.587
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -11.275
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: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -307.384871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.384871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.384871 (E_RNA)
where:
Base-Base interactions energy: -216.041
where: short stacking energy: -86.707
Base-Backbone interact. energy: 0.509
local terms energy: -91.852423
where:
bonds (distance) C4'-P energy: -20.511
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -21.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -308.379364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.379364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.379364 (E_RNA)
where:
Base-Base interactions energy: -205.931
where: short stacking energy: -89.249
Base-Backbone interact. energy: -0.061
local terms energy: -102.386839
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -28.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -281.803509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.803509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.803509 (E_RNA)
where:
Base-Base interactions energy: -190.106
where: short stacking energy: -79.589
Base-Backbone interact. energy: -0.200
local terms energy: -91.497927
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -22.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -270.251618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.251618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.251618 (E_RNA)
where:
Base-Base interactions energy: -178.354
where: short stacking energy: -93.299
Base-Backbone interact. energy: -0.001
local terms energy: -91.897062
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -18.856
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -27.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -270.824533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.824533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.824533 (E_RNA)
where:
Base-Base interactions energy: -181.686
where: short stacking energy: -86.185
Base-Backbone interact. energy: -0.238
local terms energy: -88.900459
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -19.039
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -24.653
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: 6, replica: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -250.691445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.691445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.691445 (E_RNA)
where:
Base-Base interactions energy: -169.410
where: short stacking energy: -74.830
Base-Backbone interact. energy: -1.001
local terms energy: -80.279960
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -17.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -255.292992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.292992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.292992 (E_RNA)
where:
Base-Base interactions energy: -171.664
where: short stacking energy: -80.605
Base-Backbone interact. energy: -1.229
local terms energy: -82.399965
where:
bonds (distance) C4'-P energy: -11.748
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -204.452690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.452690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.452690 (E_RNA)
where:
Base-Base interactions energy: -120.175
where: short stacking energy: -70.128
Base-Backbone interact. energy: -0.518
local terms energy: -83.759127
where:
bonds (distance) C4'-P energy: -19.985
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -19.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -94.245613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.245613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.245613 (E_RNA)
where:
Base-Base interactions energy: -36.183
where: short stacking energy: -33.645
Base-Backbone interact. energy: 0.440
local terms energy: -58.502024
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -6.645
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -4.773
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: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -103.807731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.807731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.807731 (E_RNA)
where:
Base-Base interactions energy: -41.520
where: short stacking energy: -41.520
Base-Backbone interact. energy: 0.511
local terms energy: -62.798762
where:
bonds (distance) C4'-P energy: -8.014
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -8.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -307.704345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.704345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.704345 (E_RNA)
where:
Base-Base interactions energy: -208.950
where: short stacking energy: -78.347
Base-Backbone interact. energy: -0.263
local terms energy: -98.491027
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -23.554
flat angles P-C4'-P energy: -15.640
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: 2, replica: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -287.659567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.659567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.659567 (E_RNA)
where:
Base-Base interactions energy: -194.989
where: short stacking energy: -100.805
Base-Backbone interact. energy: -0.708
local terms energy: -91.962806
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -14.795
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -26.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -297.557704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.557704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.557704 (E_RNA)
where:
Base-Base interactions energy: -200.500
where: short stacking energy: -85.862
Base-Backbone interact. energy: -0.001
local terms energy: -97.057231
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -22.214
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -15.252
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -275.883765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.883765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.883765 (E_RNA)
where:
Base-Base interactions energy: -185.503
where: short stacking energy: -86.477
Base-Backbone interact. energy: 0.902
local terms energy: -91.283575
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -20.921
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -23.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -282.464579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.464579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.464579 (E_RNA)
where:
Base-Base interactions energy: -183.617
where: short stacking energy: -91.529
Base-Backbone interact. energy: -0.570
local terms energy: -98.277416
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -27.993
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: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -268.280393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.280393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.280393 (E_RNA)
where:
Base-Base interactions energy: -183.777
where: short stacking energy: -72.780
Base-Backbone interact. energy: 0.387
local terms energy: -84.891042
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -20.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -254.216840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.216840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.216840 (E_RNA)
where:
Base-Base interactions energy: -165.356
where: short stacking energy: -83.635
Base-Backbone interact. energy: -0.128
local terms energy: -88.733167
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -23.231
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -21.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -174.624847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.624847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.624847 (E_RNA)
where:
Base-Base interactions energy: -109.720
where: short stacking energy: -46.080
Base-Backbone interact. energy: -0.736
local terms energy: -64.169085
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -7.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -101.645511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.645511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.645511 (E_RNA)
where:
Base-Base interactions energy: -29.999
where: short stacking energy: -29.306
Base-Backbone interact. energy: -0.229
local terms energy: -71.417927
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -20.845
flat angles C4'-P-C4' energy: -14.830
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -8.546
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: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -90.590010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.590010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.590010 (E_RNA)
where:
Base-Base interactions energy: -27.681
where: short stacking energy: -27.681
Base-Backbone interact. energy: -0.360
local terms energy: -62.548714
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -7.555
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -293.578342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.578342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.578342 (E_RNA)
where:
Base-Base interactions energy: -189.646
where: short stacking energy: -86.010
Base-Backbone interact. energy: -1.305
local terms energy: -102.627209
where:
bonds (distance) C4'-P energy: -20.755
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -25.256
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: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -297.350698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.350698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.350698 (E_RNA)
where:
Base-Base interactions energy: -211.893
where: short stacking energy: -80.641
Base-Backbone interact. energy: 0.280
local terms energy: -85.737893
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -15.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -304.384679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.384679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.384679 (E_RNA)
where:
Base-Base interactions energy: -207.020
where: short stacking energy: -90.035
Base-Backbone interact. energy: 0.272
local terms energy: -97.636317
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -19.945
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -22.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -293.717700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.717700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.717700 (E_RNA)
where:
Base-Base interactions energy: -190.978
where: short stacking energy: -74.988
Base-Backbone interact. energy: -0.204
local terms energy: -102.535464
where:
bonds (distance) C4'-P energy: -20.578
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -20.375
flat angles P-C4'-P energy: -16.227
tors. eta vs tors. theta energy: -26.153
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: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -284.432757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.432757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.432757 (E_RNA)
where:
Base-Base interactions energy: -200.571
where: short stacking energy: -84.690
Base-Backbone interact. energy: -0.994
local terms energy: -82.867910
where:
bonds (distance) C4'-P energy: -18.575
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -262.550994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.550994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.550994 (E_RNA)
where:
Base-Base interactions energy: -176.909
where: short stacking energy: -80.822
Base-Backbone interact. energy: -0.172
local terms energy: -85.469303
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -19.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -257.471272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.471272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.471272 (E_RNA)
where:
Base-Base interactions energy: -166.213
where: short stacking energy: -65.806
Base-Backbone interact. energy: -0.220
local terms energy: -91.038462
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -19.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -182.717334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.717334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.717334 (E_RNA)
where:
Base-Base interactions energy: -110.873
where: short stacking energy: -46.002
Base-Backbone interact. energy: -0.179
local terms energy: -71.664693
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -18.254
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -5.364
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -99.791623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.791623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.791623 (E_RNA)
where:
Base-Base interactions energy: -37.966
where: short stacking energy: -37.966
Base-Backbone interact. energy: -0.137
local terms energy: -61.689115
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -15.895
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -92.693151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.693151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.693151 (E_RNA)
where:
Base-Base interactions energy: -29.367
where: short stacking energy: -25.441
Base-Backbone interact. energy: -0.180
local terms energy: -63.146242
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -15.703
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: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -296.596400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.596400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.596400 (E_RNA)
where:
Base-Base interactions energy: -202.557
where: short stacking energy: -90.166
Base-Backbone interact. energy: -0.732
local terms energy: -93.307496
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -22.626
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -23.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -302.067410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.067410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.067410 (E_RNA)
where:
Base-Base interactions energy: -202.826
where: short stacking energy: -89.771
Base-Backbone interact. energy: -0.072
local terms energy: -99.169579
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -20.869
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -22.986
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: 299
Temperature: 1.000000
Total energy: -296.483107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.483107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.483107 (E_RNA)
where:
Base-Base interactions energy: -209.169
where: short stacking energy: -88.271
Base-Backbone interact. energy: -3.086
local terms energy: -84.228083
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -20.993
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -21.002
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: 10
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -278.383701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.383701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.383701 (E_RNA)
where:
Base-Base interactions energy: -181.961
where: short stacking energy: -89.133
Base-Backbone interact. energy: -0.108
local terms energy: -96.314888
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -12.287
tors. eta vs tors. theta energy: -24.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -274.227789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.227789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.227789 (E_RNA)
where:
Base-Base interactions energy: -182.417
where: short stacking energy: -84.006
Base-Backbone interact. energy: -0.644
local terms energy: -91.166622
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -18.667
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -24.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -260.565031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.565031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.565031 (E_RNA)
where:
Base-Base interactions energy: -173.149
where: short stacking energy: -85.375
Base-Backbone interact. energy: -0.066
local terms energy: -87.349918
where:
bonds (distance) C4'-P energy: -20.579
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -11.094
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: 7, replica: 1
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -263.760656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.760656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.760656 (E_RNA)
where:
Base-Base interactions energy: -189.131
where: short stacking energy: -77.600
Base-Backbone interact. energy: -0.143
local terms energy: -74.485768
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -9.311
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -12.592
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: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -194.338105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.338105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.338105 (E_RNA)
where:
Base-Base interactions energy: -126.687
where: short stacking energy: -57.290
Base-Backbone interact. energy: 0.464
local terms energy: -68.115255
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -12.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -103.553747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.553747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.553747 (E_RNA)
where:
Base-Base interactions energy: -38.148
where: short stacking energy: -31.332
Base-Backbone interact. energy: -0.201
local terms energy: -65.204093
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -18.613
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -10.799
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: 5
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -86.419324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.419324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.419324 (E_RNA)
where:
Base-Base interactions energy: -36.068
where: short stacking energy: -29.236
Base-Backbone interact. energy: -0.989
local terms energy: -49.362065
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -4.119
tors. eta vs tors. theta energy: -0.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -296.705048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.705048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.705048 (E_RNA)
where:
Base-Base interactions energy: -201.834
where: short stacking energy: -78.166
Base-Backbone interact. energy: 0.505
local terms energy: -95.376671
where:
bonds (distance) C4'-P energy: -21.249
bonds (distance) P-C4' energy: -17.956
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -24.445
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: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -309.033220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.033220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.033220 (E_RNA)
where:
Base-Base interactions energy: -217.882
where: short stacking energy: -88.813
Base-Backbone interact. energy: -0.155
local terms energy: -90.997121
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -14.379
tors. eta vs tors. theta energy: -25.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -298.132396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.132396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.132396 (E_RNA)
where:
Base-Base interactions energy: -203.965
where: short stacking energy: -81.519
Base-Backbone interact. energy: -0.902
local terms energy: -93.265846
where:
bonds (distance) C4'-P energy: -20.896
bonds (distance) P-C4' energy: -16.158
flat angles C4'-P-C4' energy: -17.326
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -24.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -270.412525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.412525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.412525 (E_RNA)
where:
Base-Base interactions energy: -179.849
where: short stacking energy: -87.194
Base-Backbone interact. energy: -0.097
local terms energy: -90.465750
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -18.631
flat angles P-C4'-P energy: -15.395
tors. eta vs tors. theta energy: -25.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -272.879835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.879835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.879835 (E_RNA)
where:
Base-Base interactions energy: -181.543
where: short stacking energy: -88.233
Base-Backbone interact. energy: -0.492
local terms energy: -90.845258
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -3.094
tors. eta vs tors. theta energy: -30.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -267.281690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.281690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.281690 (E_RNA)
where:
Base-Base interactions energy: -174.302
where: short stacking energy: -84.275
Base-Backbone interact. energy: -0.004
local terms energy: -92.975797
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -25.936
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: 7, replica: 1
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -278.606274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.606274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.606274 (E_RNA)
where:
Base-Base interactions energy: -205.925
where: short stacking energy: -79.274
Base-Backbone interact. energy: -0.567
local terms energy: -72.113709
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -20.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -173.514112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.514112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.514112 (E_RNA)
where:
Base-Base interactions energy: -99.459
where: short stacking energy: -49.981
Base-Backbone interact. energy: -0.150
local terms energy: -73.905284
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -9.811
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: 5
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -92.289708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.289708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.289708 (E_RNA)
where:
Base-Base interactions energy: -42.757
where: short stacking energy: -33.016
Base-Backbone interact. energy: -0.458
local terms energy: -49.075565
where:
bonds (distance) C4'-P energy: -19.074
bonds (distance) P-C4' energy: -10.546
flat angles C4'-P-C4' energy: -13.198
flat angles P-C4'-P energy: -9.747
tors. eta vs tors. theta energy: 3.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -92.034612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.034612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.034612 (E_RNA)
where:
Base-Base interactions energy: -41.204
where: short stacking energy: -36.559
Base-Backbone interact. energy: 0.229
local terms energy: -51.059995
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -17.720
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -4.323
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -285.992209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.992209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.992209 (E_RNA)
where:
Base-Base interactions energy: -189.977
where: short stacking energy: -92.598
Base-Backbone interact. energy: -1.353
local terms energy: -94.662630
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -25.899
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: 2, replica: 7
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -306.810333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.810333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.810333 (E_RNA)
where:
Base-Base interactions energy: -211.156
where: short stacking energy: -86.518
Base-Backbone interact. energy: -0.196
local terms energy: -95.458236
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -22.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -297.578014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.578014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.578014 (E_RNA)
where:
Base-Base interactions energy: -204.451
where: short stacking energy: -80.013
Base-Backbone interact. energy: 0.167
local terms energy: -93.293875
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -15.406
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: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -264.124900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.124900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.124900 (E_RNA)
where:
Base-Base interactions energy: -176.850
where: short stacking energy: -78.190
Base-Backbone interact. energy: -0.180
local terms energy: -87.094551
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -14.689
tors. eta vs tors. theta energy: -21.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -270.012597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.012597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.012597 (E_RNA)
where:
Base-Base interactions energy: -187.164
where: short stacking energy: -90.989
Base-Backbone interact. energy: 0.852
local terms energy: -83.700612
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -13.487
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -259.756011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.756011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.756011 (E_RNA)
where:
Base-Base interactions energy: -175.787
where: short stacking energy: -84.288
Base-Backbone interact. energy: -0.059
local terms energy: -83.910908
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -13.625
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -21.205
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: 301
Temperature: 1.200000
Total energy: -250.049994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.049994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.049994 (E_RNA)
where:
Base-Base interactions energy: -167.065
where: short stacking energy: -80.855
Base-Backbone interact. energy: 0.059
local terms energy: -83.043727
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -18.636
flat angles P-C4'-P energy: -12.375
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: 8, replica: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -111.879884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.879884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.879884 (E_RNA)
where:
Base-Base interactions energy: -48.985
where: short stacking energy: -29.175
Base-Backbone interact. energy: -0.208
local terms energy: -62.686721
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -2.885
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: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -167.646438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.646438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.646438 (E_RNA)
where:
Base-Base interactions energy: -103.857
where: short stacking energy: -48.395
Base-Backbone interact. energy: -0.189
local terms energy: -63.599667
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -6.742
tors. eta vs tors. theta energy: -10.379
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: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -98.328005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.328005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.328005 (E_RNA)
where:
Base-Base interactions energy: -42.814
where: short stacking energy: -34.257
Base-Backbone interact. energy: 1.913
local terms energy: -57.427275
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -0.928
tors. eta vs tors. theta energy: 0.715
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: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -289.224096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.224096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.224096 (E_RNA)
where:
Base-Base interactions energy: -188.035
where: short stacking energy: -88.511
Base-Backbone interact. energy: -0.003
local terms energy: -101.185949
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -27.874
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: 7
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -304.508119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.508119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.508119 (E_RNA)
where:
Base-Base interactions energy: -208.313
where: short stacking energy: -87.187
Base-Backbone interact. energy: -0.238
local terms energy: -95.957992
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -15.125
tors. eta vs tors. theta energy: -23.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -299.473248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.473248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.473248 (E_RNA)
where:
Base-Base interactions energy: -205.461
where: short stacking energy: -81.202
Base-Backbone interact. energy: 0.372
local terms energy: -94.384987
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -21.331
flat angles P-C4'-P energy: -16.375
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: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -279.751848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.751848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.751848 (E_RNA)
where:
Base-Base interactions energy: -186.746
where: short stacking energy: -87.880
Base-Backbone interact. energy: -0.218
local terms energy: -92.787161
where:
bonds (distance) C4'-P energy: -15.929
bonds (distance) P-C4' energy: -16.387
flat angles C4'-P-C4' energy: -20.087
flat angles P-C4'-P energy: -15.274
tors. eta vs tors. theta energy: -25.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -267.438030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.438030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.438030 (E_RNA)
where:
Base-Base interactions energy: -177.400
where: short stacking energy: -77.978
Base-Backbone interact. energy: 0.174
local terms energy: -90.211703
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -20.110
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -11.922
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: 6, replica: 10
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -271.344540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.344540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.344540 (E_RNA)
where:
Base-Base interactions energy: -182.041
where: short stacking energy: -84.862
Base-Backbone interact. energy: 0.515
local terms energy: -89.818297
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -14.942
tors. eta vs tors. theta energy: -28.449
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: 8
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -251.700302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.700302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.700302 (E_RNA)
where:
Base-Base interactions energy: -168.712
where: short stacking energy: -74.896
Base-Backbone interact. energy: -0.299
local terms energy: -82.689668
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -9.615
tors. eta vs tors. theta energy: -21.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -124.311383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.311383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.311383 (E_RNA)
where:
Base-Base interactions energy: -63.842
where: short stacking energy: -48.413
Base-Backbone interact. energy: -0.262
local terms energy: -60.207598
where:
bonds (distance) C4'-P energy: -9.279
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -174.150297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.150297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.150297 (E_RNA)
where:
Base-Base interactions energy: -102.976
where: short stacking energy: -48.720
Base-Backbone interact. energy: -0.059
local terms energy: -71.115508
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -6.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -102.433212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.433212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.433212 (E_RNA)
where:
Base-Base interactions energy: -47.387
where: short stacking energy: -46.678
Base-Backbone interact. energy: -0.243
local terms energy: -54.803362
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -8.885
tors. eta vs tors. theta energy: -8.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -298.058321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.058321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.058321 (E_RNA)
where:
Base-Base interactions energy: -195.775
where: short stacking energy: -85.100
Base-Backbone interact. energy: -0.150
local terms energy: -102.134080
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -21.778
flat angles C4'-P-C4' energy: -22.831
flat angles P-C4'-P energy: -15.572
tors. eta vs tors. theta energy: -22.785
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: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -306.767236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.767236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.767236 (E_RNA)
where:
Base-Base interactions energy: -214.387
where: short stacking energy: -87.399
Base-Backbone interact. energy: -0.298
local terms energy: -92.082541
where:
bonds (distance) C4'-P energy: -21.680
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -20.362
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: 303
Temperature: 1.000000
Total energy: -296.456463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.456463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.456463 (E_RNA)
where:
Base-Base interactions energy: -207.956
where: short stacking energy: -83.307
Base-Backbone interact. energy: -0.234
local terms energy: -88.266266
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -21.607
flat angles P-C4'-P energy: -14.436
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -274.529639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.529639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.529639 (E_RNA)
where:
Base-Base interactions energy: -182.283
where: short stacking energy: -75.108
Base-Backbone interact. energy: -2.050
local terms energy: -90.197386
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -25.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -265.119061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.119061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.119061 (E_RNA)
where:
Base-Base interactions energy: -176.163
where: short stacking energy: -78.202
Base-Backbone interact. energy: 0.169
local terms energy: -89.125326
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -14.608
tors. eta vs tors. theta energy: -20.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -264.853656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.853656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.853656 (E_RNA)
where:
Base-Base interactions energy: -182.787
where: short stacking energy: -63.950
Base-Backbone interact. energy: -0.056
local terms energy: -82.010599
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -281.513806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.513806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.513806 (E_RNA)
where:
Base-Base interactions energy: -195.258
where: short stacking energy: -89.295
Base-Backbone interact. energy: -0.124
local terms energy: -86.132240
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -18.999
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -22.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -190.772150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.772150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.772150 (E_RNA)
where:
Base-Base interactions energy: -102.695
where: short stacking energy: -54.469
Base-Backbone interact. energy: -0.136
local terms energy: -87.941507
where:
bonds (distance) C4'-P energy: -21.786
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -10.456
tors. eta vs tors. theta energy: -17.069
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: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -113.960426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.960426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.960426 (E_RNA)
where:
Base-Base interactions energy: -49.468
where: short stacking energy: -30.266
Base-Backbone interact. energy: -1.588
local terms energy: -62.903543
where:
bonds (distance) C4'-P energy: -19.974
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -1.618
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: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -89.894197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.894197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.894197 (E_RNA)
where:
Base-Base interactions energy: -31.373
where: short stacking energy: -27.844
Base-Backbone interact. energy: -0.507
local terms energy: -58.014675
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -6.101
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: 7
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -308.488956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.488956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.488956 (E_RNA)
where:
Base-Base interactions energy: -213.255
where: short stacking energy: -92.998
Base-Backbone interact. energy: -0.427
local terms energy: -94.806465
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -23.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -292.464384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.464384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.464384 (E_RNA)
where:
Base-Base interactions energy: -196.969
where: short stacking energy: -86.397
Base-Backbone interact. energy: -0.247
local terms energy: -95.248365
where:
bonds (distance) C4'-P energy: -16.341
bonds (distance) P-C4' energy: -20.897
flat angles C4'-P-C4' energy: -22.352
flat angles P-C4'-P energy: -13.285
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -298.523982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.523982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.523982 (E_RNA)
where:
Base-Base interactions energy: -202.046
where: short stacking energy: -84.497
Base-Backbone interact. energy: -0.131
local terms energy: -96.346692
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -22.413
flat angles C4'-P-C4' energy: -22.680
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -267.769518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.769518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.769518 (E_RNA)
where:
Base-Base interactions energy: -180.192
where: short stacking energy: -90.443
Base-Backbone interact. energy: -0.001
local terms energy: -87.576363
where:
bonds (distance) C4'-P energy: -11.786
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -19.980
flat angles P-C4'-P energy: -14.311
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: 5, replica: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -274.045811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.045811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.045811 (E_RNA)
where:
Base-Base interactions energy: -187.511
where: short stacking energy: -84.615
Base-Backbone interact. energy: -0.467
local terms energy: -86.068084
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -18.117
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -20.201
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: 304
Temperature: 1.150000
Total energy: -270.498518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.498518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.498518 (E_RNA)
where:
Base-Base interactions energy: -180.195
where: short stacking energy: -86.913
Base-Backbone interact. energy: -0.050
local terms energy: -90.253969
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -261.049533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.049533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.049533 (E_RNA)
where:
Base-Base interactions energy: -181.055
where: short stacking energy: -85.897
Base-Backbone interact. energy: -0.089
local terms energy: -79.905575
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -4.899
tors. eta vs tors. theta energy: -25.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -180.442775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.442775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.442775 (E_RNA)
where:
Base-Base interactions energy: -110.764
where: short stacking energy: -48.300
Base-Backbone interact. energy: 1.033
local terms energy: -70.711436
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -14.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -107.478379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.478379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.478379 (E_RNA)
where:
Base-Base interactions energy: -43.397
where: short stacking energy: -34.344
Base-Backbone interact. energy: -0.411
local terms energy: -63.670229
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -14.953
tors. eta vs tors. theta energy: 0.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -90.885789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.885789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.885789 (E_RNA)
where:
Base-Base interactions energy: -33.621
where: short stacking energy: -33.621
Base-Backbone interact. energy: -0.594
local terms energy: -56.671503
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -1.275
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: 7
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -310.957003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.957003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.957003 (E_RNA)
where:
Base-Base interactions energy: -215.384
where: short stacking energy: -90.626
Base-Backbone interact. energy: -0.514
local terms energy: -95.059466
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -21.918
flat angles P-C4'-P energy: -14.516
tors. eta vs tors. theta energy: -23.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -297.419689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.419689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.419689 (E_RNA)
where:
Base-Base interactions energy: -208.406
where: short stacking energy: -87.947
Base-Backbone interact. energy: -1.409
local terms energy: -87.604320
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -21.235
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -282.100060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.100060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.100060 (E_RNA)
where:
Base-Base interactions energy: -190.551
where: short stacking energy: -89.320
Base-Backbone interact. energy: -0.032
local terms energy: -91.517106
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -14.808
tors. eta vs tors. theta energy: -23.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -274.517266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.517266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.517266 (E_RNA)
where:
Base-Base interactions energy: -185.358
where: short stacking energy: -78.038
Base-Backbone interact. energy: -0.500
local terms energy: -88.659510
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -21.657
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: 4
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -257.717163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.717163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.717163 (E_RNA)
where:
Base-Base interactions energy: -171.296
where: short stacking energy: -86.197
Base-Backbone interact. energy: -0.016
local terms energy: -86.404266
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -25.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -244.183640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.183640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.183640 (E_RNA)
where:
Base-Base interactions energy: -156.003
where: short stacking energy: -72.182
Base-Backbone interact. energy: -0.096
local terms energy: -88.084592
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -21.459
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -21.173
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: 8
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -257.493424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.493424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.493424 (E_RNA)
where:
Base-Base interactions energy: -169.791
where: short stacking energy: -82.336
Base-Backbone interact. energy: -0.099
local terms energy: -87.603310
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -25.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -107.905771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.905771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.905771 (E_RNA)
where:
Base-Base interactions energy: -47.329
where: short stacking energy: -44.327
Base-Backbone interact. energy: -0.220
local terms energy: -60.357562
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -11.237
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -1.393
tors. eta vs tors. theta energy: -7.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -188.679210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.679210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.679210 (E_RNA)
where:
Base-Base interactions energy: -127.830
where: short stacking energy: -59.926
Base-Backbone interact. energy: 0.615
local terms energy: -61.464128
where:
bonds (distance) C4'-P energy: -6.360
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -11.798
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: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -85.963210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.963210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.963210 (E_RNA)
where:
Base-Base interactions energy: -46.464
where: short stacking energy: -37.526
Base-Backbone interact. energy: 1.920
local terms energy: -41.419695
where:
bonds (distance) C4'-P energy: -3.968
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -2.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -310.687944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.687944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.687944 (E_RNA)
where:
Base-Base interactions energy: -217.688
where: short stacking energy: -82.067
Base-Backbone interact. energy: 0.009
local terms energy: -93.008698
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -22.015
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -15.461
tors. eta vs tors. theta energy: -16.253
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: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -297.933877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.933877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.933877 (E_RNA)
where:
Base-Base interactions energy: -201.947
where: short stacking energy: -84.364
Base-Backbone interact. energy: 0.927
local terms energy: -96.913868
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -27.686
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: 1
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -278.629362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.629362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.629362 (E_RNA)
where:
Base-Base interactions energy: -186.922
where: short stacking energy: -94.930
Base-Backbone interact. energy: -1.111
local terms energy: -90.596121
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -18.288
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -25.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -276.808666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.808666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.808666 (E_RNA)
where:
Base-Base interactions energy: -181.823
where: short stacking energy: -85.729
Base-Backbone interact. energy: -0.808
local terms energy: -94.178467
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -18.403
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -24.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -252.938726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.938726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.938726 (E_RNA)
where:
Base-Base interactions energy: -160.910
where: short stacking energy: -75.602
Base-Backbone interact. energy: -1.132
local terms energy: -90.896910
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -20.680
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -252.750682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.750682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.750682 (E_RNA)
where:
Base-Base interactions energy: -176.678
where: short stacking energy: -70.466
Base-Backbone interact. energy: -0.415
local terms energy: -75.658149
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -20.146
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -9.535
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: 8
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -255.926115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.926115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.926115 (E_RNA)
where:
Base-Base interactions energy: -165.452
where: short stacking energy: -72.403
Base-Backbone interact. energy: -0.402
local terms energy: -90.071638
where:
bonds (distance) C4'-P energy: -18.636
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -17.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -100.718808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.718808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.718808 (E_RNA)
where:
Base-Base interactions energy: -43.405
where: short stacking energy: -31.422
Base-Backbone interact. energy: -0.190
local terms energy: -57.124335
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -0.609
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: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -226.634725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.634725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.634725 (E_RNA)
where:
Base-Base interactions energy: -159.381
where: short stacking energy: -77.670
Base-Backbone interact. energy: -0.007
local terms energy: -67.247170
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -9.440
flat angles C4'-P-C4' energy: -11.020
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -19.023
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: 10, replica: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -111.485057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.485057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.485057 (E_RNA)
where:
Base-Base interactions energy: -39.223
where: short stacking energy: -28.453
Base-Backbone interact. energy: -0.048
local terms energy: -72.214709
where:
bonds (distance) C4'-P energy: -20.405
bonds (distance) P-C4' energy: -20.833
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -2.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -307.728902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.728902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.728902 (E_RNA)
where:
Base-Base interactions energy: -217.681
where: short stacking energy: -77.541
Base-Backbone interact. energy: -0.358
local terms energy: -89.690238
where:
bonds (distance) C4'-P energy: -19.390
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -15.236
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -21.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -277.803859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.803859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.803859 (E_RNA)
where:
Base-Base interactions energy: -174.675
where: short stacking energy: -81.943
Base-Backbone interact. energy: -0.132
local terms energy: -102.996363
where:
bonds (distance) C4'-P energy: -21.423
bonds (distance) P-C4' energy: -20.068
flat angles C4'-P-C4' energy: -21.232
flat angles P-C4'-P energy: -15.792
tors. eta vs tors. theta energy: -24.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -308.922431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.922431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.922431 (E_RNA)
where:
Base-Base interactions energy: -214.244
where: short stacking energy: -92.820
Base-Backbone interact. energy: 0.756
local terms energy: -95.433809
where:
bonds (distance) C4'-P energy: -18.541
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -24.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -280.307036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.307036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.307036 (E_RNA)
where:
Base-Base interactions energy: -189.007
where: short stacking energy: -89.856
Base-Backbone interact. energy: -0.135
local terms energy: -91.165173
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -18.185
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -12.777
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: 5, replica: 4
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -297.434851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.434851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.434851 (E_RNA)
where:
Base-Base interactions energy: -203.963
where: short stacking energy: -94.705
Base-Backbone interact. energy: -0.010
local terms energy: -93.461624
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -25.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -274.747651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.747651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.747651 (E_RNA)
where:
Base-Base interactions energy: -179.348
where: short stacking energy: -82.264
Base-Backbone interact. energy: -0.018
local terms energy: -95.381585
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -14.325
tors. eta vs tors. theta energy: -24.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -261.264292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.264292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.264292 (E_RNA)
where:
Base-Base interactions energy: -174.046
where: short stacking energy: -74.897
Base-Backbone interact. energy: -0.235
local terms energy: -86.983059
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -18.021
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -20.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -247.734672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.734672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.734672 (E_RNA)
where:
Base-Base interactions energy: -167.302
where: short stacking energy: -74.489
Base-Backbone interact. energy: -0.794
local terms energy: -79.638569
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -22.687
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: 9, replica: 5
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -100.349871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.349871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.349871 (E_RNA)
where:
Base-Base interactions energy: -41.803
where: short stacking energy: -29.208
Base-Backbone interact. energy: 0.143
local terms energy: -58.689771
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -18.751
flat angles C4'-P-C4' energy: -17.259
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -5.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -90.829224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.829224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.829224 (E_RNA)
where:
Base-Base interactions energy: -27.878
where: short stacking energy: -27.878
Base-Backbone interact. energy: -1.278
local terms energy: -61.672951
where:
bonds (distance) C4'-P energy: -19.431
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -4.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -308.158369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.158369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.158369 (E_RNA)
where:
Base-Base interactions energy: -207.889
where: short stacking energy: -82.129
Base-Backbone interact. energy: -0.191
local terms energy: -100.077675
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -20.993
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: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -291.622112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.622112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.622112 (E_RNA)
where:
Base-Base interactions energy: -192.270
where: short stacking energy: -93.063
Base-Backbone interact. energy: -0.020
local terms energy: -99.332127
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -23.201
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -27.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -287.827096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.827096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.827096 (E_RNA)
where:
Base-Base interactions energy: -191.840
where: short stacking energy: -88.051
Base-Backbone interact. energy: -0.058
local terms energy: -95.929396
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -20.033
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -13.402
tors. eta vs tors. theta energy: -22.741
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: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -296.572959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.572959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.572959 (E_RNA)
where:
Base-Base interactions energy: -209.103
where: short stacking energy: -84.617
Base-Backbone interact. energy: -0.002
local terms energy: -87.468209
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -16.213
tors. eta vs tors. theta energy: -27.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -278.368485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.368485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.368485 (E_RNA)
where:
Base-Base interactions energy: -194.216
where: short stacking energy: -82.721
Base-Backbone interact. energy: -0.767
local terms energy: -83.385660
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -24.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -263.824615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.824615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.824615 (E_RNA)
where:
Base-Base interactions energy: -184.005
where: short stacking energy: -90.199
Base-Backbone interact. energy: -0.079
local terms energy: -79.741089
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -20.248
flat angles P-C4'-P energy: -3.864
tors. eta vs tors. theta energy: -22.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -257.830320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.830320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.830320 (E_RNA)
where:
Base-Base interactions energy: -169.065
where: short stacking energy: -82.001
Base-Backbone interact. energy: -0.032
local terms energy: -88.732698
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -23.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -254.919620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.919620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.919620 (E_RNA)
where:
Base-Base interactions energy: -170.404
where: short stacking energy: -77.779
Base-Backbone interact. energy: -0.261
local terms energy: -84.255158
where:
bonds (distance) C4'-P energy: -9.861
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: -23.676
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: 5
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -98.702218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.702218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.702218 (E_RNA)
where:
Base-Base interactions energy: -37.441
where: short stacking energy: -36.133
Base-Backbone interact. energy: -0.130
local terms energy: -61.131227
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -5.119
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: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -99.207721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.207721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.207721 (E_RNA)
where:
Base-Base interactions energy: -42.438
where: short stacking energy: -40.306
Base-Backbone interact. energy: -0.504
local terms energy: -56.265461
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -0.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -312.384643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.384643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.384643 (E_RNA)
where:
Base-Base interactions energy: -219.416
where: short stacking energy: -88.082
Base-Backbone interact. energy: -0.800
local terms energy: -92.168759
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -17.999
flat angles P-C4'-P energy: -15.596
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -283.850623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.850623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.850623 (E_RNA)
where:
Base-Base interactions energy: -183.090
where: short stacking energy: -87.380
Base-Backbone interact. energy: -0.164
local terms energy: -100.596872
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -24.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -279.501005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.501005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.501005 (E_RNA)
where:
Base-Base interactions energy: -185.301
where: short stacking energy: -91.498
Base-Backbone interact. energy: -0.055
local terms energy: -94.145841
where:
bonds (distance) C4'-P energy: -17.245
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -27.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -282.525600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.525600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.525600 (E_RNA)
where:
Base-Base interactions energy: -192.793
where: short stacking energy: -82.559
Base-Backbone interact. energy: 0.857
local terms energy: -90.589772
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -23.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -269.505737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.505737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.505737 (E_RNA)
where:
Base-Base interactions energy: -180.311
where: short stacking energy: -73.877
Base-Backbone interact. energy: -0.002
local terms energy: -89.192332
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -17.701
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: 6, replica: 10
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -264.375725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.375725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.375725 (E_RNA)
where:
Base-Base interactions energy: -177.812
where: short stacking energy: -89.546
Base-Backbone interact. energy: 0.037
local terms energy: -86.600983
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -11.282
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: 309
Temperature: 1.200000
Total energy: -254.685135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.685135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.685135 (E_RNA)
where:
Base-Base interactions energy: -170.667
where: short stacking energy: -85.434
Base-Backbone interact. energy: -0.791
local terms energy: -83.227994
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -10.874
flat angles C4'-P-C4' energy: -20.981
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -25.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -252.893053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.893053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.893053 (E_RNA)
where:
Base-Base interactions energy: -168.731
where: short stacking energy: -73.081
Base-Backbone interact. energy: -0.758
local terms energy: -83.404361
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -21.595
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -19.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -96.512463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.512463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.512463 (E_RNA)
where:
Base-Base interactions energy: -32.374
where: short stacking energy: -28.738
Base-Backbone interact. energy: 0.842
local terms energy: -64.980315
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -89.963262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.963262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.963262 (E_RNA)
where:
Base-Base interactions energy: -44.354
where: short stacking energy: -28.898
Base-Backbone interact. energy: 0.892
local terms energy: -46.501438
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: 2.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -313.799625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.799625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.799625 (E_RNA)
where:
Base-Base interactions energy: -214.154
where: short stacking energy: -85.345
Base-Backbone interact. energy: -0.413
local terms energy: -99.233186
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -21.433
flat angles C4'-P-C4' energy: -23.970
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -20.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -288.122892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.122892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.122892 (E_RNA)
where:
Base-Base interactions energy: -195.141
where: short stacking energy: -87.132
Base-Backbone interact. energy: -0.462
local terms energy: -92.520061
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -17.314
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -23.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -296.771978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.771978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.771978 (E_RNA)
where:
Base-Base interactions energy: -199.356
where: short stacking energy: -84.798
Base-Backbone interact. energy: -1.005
local terms energy: -96.410935
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -20.489
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -13.510
tors. eta vs tors. theta energy: -24.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -277.369815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.369815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.369815 (E_RNA)
where:
Base-Base interactions energy: -181.099
where: short stacking energy: -92.198
Base-Backbone interact. energy: -0.023
local terms energy: -96.247890
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -27.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -279.037844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.037844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.037844 (E_RNA)
where:
Base-Base interactions energy: -185.249
where: short stacking energy: -87.497
Base-Backbone interact. energy: -0.062
local terms energy: -93.726502
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -21.650
flat angles P-C4'-P energy: -12.871
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: 6, replica: 8
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -260.325461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.325461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.325461 (E_RNA)
where:
Base-Base interactions energy: -177.404
where: short stacking energy: -77.786
Base-Backbone interact. energy: -0.836
local terms energy: -82.086100
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -20.402
flat angles P-C4'-P energy: -8.126
tors. eta vs tors. theta energy: -20.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -250.543287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.543287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.543287 (E_RNA)
where:
Base-Base interactions energy: -166.224
where: short stacking energy: -76.165
Base-Backbone interact. energy: -0.048
local terms energy: -84.271587
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -24.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -254.429129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.429129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.429129 (E_RNA)
where:
Base-Base interactions energy: -169.858
where: short stacking energy: -78.054
Base-Backbone interact. energy: -0.001
local terms energy: -84.570219
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -21.556
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -122.791029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.791029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.791029 (E_RNA)
where:
Base-Base interactions energy: -61.487
where: short stacking energy: -39.503
Base-Backbone interact. energy: -0.126
local terms energy: -61.177624
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -3.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -97.822450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.822450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.822450 (E_RNA)
where:
Base-Base interactions energy: -33.197
where: short stacking energy: -32.104
Base-Backbone interact. energy: -0.220
local terms energy: -64.405639
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -17.334
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -12.950
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: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -310.724275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.724275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.724275 (E_RNA)
where:
Base-Base interactions energy: -210.628
where: short stacking energy: -87.320
Base-Backbone interact. energy: -0.179
local terms energy: -99.916896
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -22.638
flat angles C4'-P-C4' energy: -22.298
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -20.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -300.385114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.385114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.385114 (E_RNA)
where:
Base-Base interactions energy: -207.418
where: short stacking energy: -95.207
Base-Backbone interact. energy: -0.008
local terms energy: -92.959140
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -15.376
tors. eta vs tors. theta energy: -28.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -290.951700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.951700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.951700 (E_RNA)
where:
Base-Base interactions energy: -199.139
where: short stacking energy: -83.843
Base-Backbone interact. energy: -0.036
local terms energy: -91.776733
where:
bonds (distance) C4'-P energy: -19.312
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -23.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -278.719472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.719472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.719472 (E_RNA)
where:
Base-Base interactions energy: -184.538
where: short stacking energy: -87.655
Base-Backbone interact. energy: -0.609
local terms energy: -93.572065
where:
bonds (distance) C4'-P energy: -19.964
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -27.981
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: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -257.143621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.143621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.143621 (E_RNA)
where:
Base-Base interactions energy: -165.310
where: short stacking energy: -82.547
Base-Backbone interact. energy: -0.063
local terms energy: -91.770524
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -18.363
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -20.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -259.773091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.773091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.773091 (E_RNA)
where:
Base-Base interactions energy: -171.536
where: short stacking energy: -84.017
Base-Backbone interact. energy: -0.317
local terms energy: -87.919834
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -24.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -265.194260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.194260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.194260 (E_RNA)
where:
Base-Base interactions energy: -167.694
where: short stacking energy: -67.752
Base-Backbone interact. energy: -0.103
local terms energy: -97.398056
where:
bonds (distance) C4'-P energy: -18.769
bonds (distance) P-C4' energy: -22.747
flat angles C4'-P-C4' energy: -20.304
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -22.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -254.725980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.725980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.725980 (E_RNA)
where:
Base-Base interactions energy: -170.554
where: short stacking energy: -85.714
Base-Backbone interact. energy: -0.079
local terms energy: -84.093232
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -21.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -102.452214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.452214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.452214 (E_RNA)
where:
Base-Base interactions energy: -41.255
where: short stacking energy: -21.651
Base-Backbone interact. energy: -0.448
local terms energy: -60.749061
where:
bonds (distance) C4'-P energy: -19.509
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -91.927955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.927955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.927955 (E_RNA)
where:
Base-Base interactions energy: -30.813
where: short stacking energy: -30.813
Base-Backbone interact. energy: -0.042
local terms energy: -61.072759
where:
bonds (distance) C4'-P energy: -8.735
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -6.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -311.603547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.603547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.603547 (E_RNA)
where:
Base-Base interactions energy: -213.245
where: short stacking energy: -94.199
Base-Backbone interact. energy: -0.015
local terms energy: -98.343222
where:
bonds (distance) C4'-P energy: -20.068
bonds (distance) P-C4' energy: -22.582
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -13.115
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: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -304.203300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.203300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.203300 (E_RNA)
where:
Base-Base interactions energy: -212.406
where: short stacking energy: -87.912
Base-Backbone interact. energy: -0.519
local terms energy: -91.278225
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -20.858
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -22.713
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: 10
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -286.833329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.833329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.833329 (E_RNA)
where:
Base-Base interactions energy: -188.699
where: short stacking energy: -105.762
Base-Backbone interact. energy: -0.003
local terms energy: -98.130913
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -28.191
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: 2
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -284.068721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.068721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.068721 (E_RNA)
where:
Base-Base interactions energy: -200.093
where: short stacking energy: -78.311
Base-Backbone interact. energy: -0.012
local terms energy: -83.963531
where:
bonds (distance) C4'-P energy: -19.472
bonds (distance) P-C4' energy: -11.129
flat angles C4'-P-C4' energy: -17.435
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -23.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -273.652530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.652530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.652530 (E_RNA)
where:
Base-Base interactions energy: -186.847
where: short stacking energy: -67.990
Base-Backbone interact. energy: -0.779
local terms energy: -86.026219
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -265.211860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.211860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.211860 (E_RNA)
where:
Base-Base interactions energy: -172.851
where: short stacking energy: -81.937
Base-Backbone interact. energy: -0.075
local terms energy: -92.286469
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -21.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -276.515305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.515305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.515305 (E_RNA)
where:
Base-Base interactions energy: -185.880
where: short stacking energy: -86.909
Base-Backbone interact. energy: -0.731
local terms energy: -89.904170
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -20.286
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -27.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -246.492301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.492301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.492301 (E_RNA)
where:
Base-Base interactions energy: -168.823
where: short stacking energy: -76.865
Base-Backbone interact. energy: -0.104
local terms energy: -77.564816
where:
bonds (distance) C4'-P energy: -17.399
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -19.820
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -16.463
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: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -97.800379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.800379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.800379 (E_RNA)
where:
Base-Base interactions energy: -39.617
where: short stacking energy: -36.358
Base-Backbone interact. energy: -0.402
local terms energy: -57.781373
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -88.413862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.413862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.413862 (E_RNA)
where:
Base-Base interactions energy: -25.468
where: short stacking energy: -20.665
Base-Backbone interact. energy: -0.252
local terms energy: -62.693828
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: 2.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -308.145345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.145345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.145345 (E_RNA)
where:
Base-Base interactions energy: -205.075
where: short stacking energy: -92.707
Base-Backbone interact. energy: -1.112
local terms energy: -101.958015
where:
bonds (distance) C4'-P energy: -20.292
bonds (distance) P-C4' energy: -21.014
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -25.972
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: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -312.703809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.703809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.703809 (E_RNA)
where:
Base-Base interactions energy: -225.247
where: short stacking energy: -85.719
Base-Backbone interact. energy: -0.329
local terms energy: -87.127627
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -23.954
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -294.625086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.625086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.625086 (E_RNA)
where:
Base-Base interactions energy: -200.886
where: short stacking energy: -84.628
Base-Backbone interact. energy: 0.893
local terms energy: -94.632217
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -21.311
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -18.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -298.360705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.360705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.360705 (E_RNA)
where:
Base-Base interactions energy: -199.404
where: short stacking energy: -84.163
Base-Backbone interact. energy: -0.405
local terms energy: -98.552364
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -20.574
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -22.822
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: 313
Temperature: 1.100000
Total energy: -272.593306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.593306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.593306 (E_RNA)
where:
Base-Base interactions energy: -174.456
where: short stacking energy: -84.222
Base-Backbone interact. energy: -1.045
local terms energy: -97.092373
where:
bonds (distance) C4'-P energy: -22.213
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: -27.040
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: 8
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -273.705794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.705794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.705794 (E_RNA)
where:
Base-Base interactions energy: -192.133
where: short stacking energy: -81.756
Base-Backbone interact. energy: -0.441
local terms energy: -81.132029
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -22.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -251.738727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.738727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.738727 (E_RNA)
where:
Base-Base interactions energy: -167.015
where: short stacking energy: -72.661
Base-Backbone interact. energy: -0.011
local terms energy: -84.712518
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -19.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -256.679739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.679739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.679739 (E_RNA)
where:
Base-Base interactions energy: -158.757
where: short stacking energy: -80.807
Base-Backbone interact. energy: 0.506
local terms energy: -98.427909
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -21.047
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -28.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -95.400823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.400823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.400823 (E_RNA)
where:
Base-Base interactions energy: -36.232
where: short stacking energy: -31.792
Base-Backbone interact. energy: -0.827
local terms energy: -58.341728
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -8.247
flat angles P-C4'-P energy: -14.401
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: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -88.977680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.977680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.977680 (E_RNA)
where:
Base-Base interactions energy: -38.691
where: short stacking energy: -34.973
Base-Backbone interact. energy: 0.098
local terms energy: -50.385433
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: 1.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -311.004475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.004475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.004475 (E_RNA)
where:
Base-Base interactions energy: -221.375
where: short stacking energy: -88.322
Base-Backbone interact. energy: -0.445
local terms energy: -89.184880
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -19.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -301.256630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.256630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.256630 (E_RNA)
where:
Base-Base interactions energy: -205.317
where: short stacking energy: -86.048
Base-Backbone interact. energy: -0.038
local terms energy: -95.901002
where:
bonds (distance) C4'-P energy: -17.841
bonds (distance) P-C4' energy: -19.695
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -12.791
tors. eta vs tors. theta energy: -26.132
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: 10
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -276.981220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.981220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.981220 (E_RNA)
where:
Base-Base interactions energy: -185.584
where: short stacking energy: -83.299
Base-Backbone interact. energy: -0.048
local terms energy: -91.349420
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -9.706
tors. eta vs tors. theta energy: -23.163
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: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -279.648223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.648223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.648223 (E_RNA)
where:
Base-Base interactions energy: -185.495
where: short stacking energy: -82.827
Base-Backbone interact. energy: -0.079
local terms energy: -94.074043
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -275.096881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.096881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.096881 (E_RNA)
where:
Base-Base interactions energy: -181.738
where: short stacking energy: -80.974
Base-Backbone interact. energy: -0.149
local terms energy: -93.209154
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -19.376
flat angles C4'-P-C4' energy: -20.554
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -23.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -257.776507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.776507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.776507 (E_RNA)
where:
Base-Base interactions energy: -167.598
where: short stacking energy: -69.177
Base-Backbone interact. energy: -0.144
local terms energy: -90.035192
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -254.185346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.185346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.185346 (E_RNA)
where:
Base-Base interactions energy: -175.860
where: short stacking energy: -83.084
Base-Backbone interact. energy: -0.318
local terms energy: -78.007170
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -19.844
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: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -246.307971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.307971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.307971 (E_RNA)
where:
Base-Base interactions energy: -163.012
where: short stacking energy: -70.975
Base-Backbone interact. energy: -0.078
local terms energy: -83.217953
where:
bonds (distance) C4'-P energy: -18.606
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -18.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -108.838342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.838342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.838342 (E_RNA)
where:
Base-Base interactions energy: -48.595
where: short stacking energy: -45.428
Base-Backbone interact. energy: 1.215
local terms energy: -61.457779
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -13.382
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: 10, replica: 5
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -95.173734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.173734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.173734 (E_RNA)
where:
Base-Base interactions energy: -34.616
where: short stacking energy: -27.799
Base-Backbone interact. energy: -0.487
local terms energy: -60.070816
where:
bonds (distance) C4'-P energy: -19.414
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -2.369
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: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -305.738858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.738858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.738858 (E_RNA)
where:
Base-Base interactions energy: -208.710
where: short stacking energy: -87.179
Base-Backbone interact. energy: -1.518
local terms energy: -95.510801
where:
bonds (distance) C4'-P energy: -18.545
bonds (distance) P-C4' energy: -20.822
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -16.689
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: 2, replica: 10
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -287.774477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.774477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.774477 (E_RNA)
where:
Base-Base interactions energy: -193.500
where: short stacking energy: -97.005
Base-Backbone interact. energy: -0.838
local terms energy: -93.437145
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -28.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -296.380743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.380743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.380743 (E_RNA)
where:
Base-Base interactions energy: -200.387
where: short stacking energy: -77.961
Base-Backbone interact. energy: -0.217
local terms energy: -95.776161
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -22.437
flat angles P-C4'-P energy: -17.035
tors. eta vs tors. theta energy: -20.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -273.426785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.426785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.426785 (E_RNA)
where:
Base-Base interactions energy: -188.661
where: short stacking energy: -84.362
Base-Backbone interact. energy: 1.357
local terms energy: -86.122816
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -23.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -274.990459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.990459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.990459 (E_RNA)
where:
Base-Base interactions energy: -181.530
where: short stacking energy: -81.453
Base-Backbone interact. energy: -2.169
local terms energy: -91.290747
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -17.775
tors. eta vs tors. theta energy: -23.932
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: 6
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -267.033767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.033767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.033767 (E_RNA)
where:
Base-Base interactions energy: -181.963
where: short stacking energy: -83.492
Base-Backbone interact. energy: 0.507
local terms energy: -85.577772
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -21.795
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: 8
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -267.445238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.445238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.445238 (E_RNA)
where:
Base-Base interactions energy: -178.479
where: short stacking energy: -85.509
Base-Backbone interact. energy: -0.166
local terms energy: -88.799988
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -13.956
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: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -240.070819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.070819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.070819 (E_RNA)
where:
Base-Base interactions energy: -154.726
where: short stacking energy: -70.282
Base-Backbone interact. energy: -1.009
local terms energy: -84.336570
where:
bonds (distance) C4'-P energy: -18.264
bonds (distance) P-C4' energy: -19.754
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -99.235884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.235884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.235884 (E_RNA)
where:
Base-Base interactions energy: -37.932
where: short stacking energy: -37.932
Base-Backbone interact. energy: 1.236
local terms energy: -62.540070
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -12.085
tors. eta vs tors. theta energy: -6.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -95.782035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.782035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.782035 (E_RNA)
where:
Base-Base interactions energy: -31.067
where: short stacking energy: -25.076
Base-Backbone interact. energy: -0.100
local terms energy: -64.615618
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -10.594
tors. eta vs tors. theta energy: -2.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -299.737199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.737199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.737199 (E_RNA)
where:
Base-Base interactions energy: -209.791
where: short stacking energy: -79.441
Base-Backbone interact. energy: -0.461
local terms energy: -89.485086
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -19.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -297.408097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.408097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.408097 (E_RNA)
where:
Base-Base interactions energy: -193.992
where: short stacking energy: -103.897
Base-Backbone interact. energy: -0.100
local terms energy: -103.315362
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -22.722
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -28.645
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: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -304.714395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.714395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.714395 (E_RNA)
where:
Base-Base interactions energy: -208.951
where: short stacking energy: -88.116
Base-Backbone interact. energy: -1.168
local terms energy: -94.595115
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -20.452
flat angles C4'-P-C4' energy: -17.145
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -23.202
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: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -279.014732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.014732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.014732 (E_RNA)
where:
Base-Base interactions energy: -185.296
where: short stacking energy: -90.647
Base-Backbone interact. energy: -0.467
local terms energy: -93.251412
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -23.528
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: 5, replica: 2
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -273.337000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.337000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.337000 (E_RNA)
where:
Base-Base interactions energy: -191.313
where: short stacking energy: -74.414
Base-Backbone interact. energy: -0.241
local terms energy: -81.782918
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -19.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -271.011714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.011714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.011714 (E_RNA)
where:
Base-Base interactions energy: -178.910
where: short stacking energy: -84.869
Base-Backbone interact. energy: -0.458
local terms energy: -91.644106
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -23.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -266.863294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.863294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.863294 (E_RNA)
where:
Base-Base interactions energy: -180.829
where: short stacking energy: -82.623
Base-Backbone interact. energy: -0.159
local terms energy: -85.875282
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -21.313
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -25.382
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: 4
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -247.190686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.190686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.190686 (E_RNA)
where:
Base-Base interactions energy: -169.197
where: short stacking energy: -76.786
Base-Backbone interact. energy: -0.197
local terms energy: -77.797218
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -19.953
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: 316
Temperature: 1.300000
Total energy: -94.395767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.395767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.395767 (E_RNA)
where:
Base-Base interactions energy: -41.367
where: short stacking energy: -30.237
Base-Backbone interact. energy: -1.148
local terms energy: -51.880803
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -11.054
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: 5
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -102.445940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.445940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.445940 (E_RNA)
where:
Base-Base interactions energy: -41.093
where: short stacking energy: -30.540
Base-Backbone interact. energy: -0.180
local terms energy: -61.172919
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -13.462
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: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -304.538698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.538698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.538698 (E_RNA)
where:
Base-Base interactions energy: -212.085
where: short stacking energy: -80.562
Base-Backbone interact. energy: -0.858
local terms energy: -91.595261
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -22.522
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -20.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -299.868934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.868934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.868934 (E_RNA)
where:
Base-Base interactions energy: -205.185
where: short stacking energy: -88.508
Base-Backbone interact. energy: -0.080
local terms energy: -94.604152
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -21.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -276.022512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.022512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.022512 (E_RNA)
where:
Base-Base interactions energy: -185.927
where: short stacking energy: -86.815
Base-Backbone interact. energy: -0.002
local terms energy: -90.094049
where:
bonds (distance) C4'-P energy: -20.276
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -22.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -265.081445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.081445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.081445 (E_RNA)
where:
Base-Base interactions energy: -177.011
where: short stacking energy: -84.027
Base-Backbone interact. energy: -0.143
local terms energy: -87.927090
where:
bonds (distance) C4'-P energy: -20.009
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -23.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -278.139009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.139009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.139009 (E_RNA)
where:
Base-Base interactions energy: -187.572
where: short stacking energy: -90.618
Base-Backbone interact. energy: -0.442
local terms energy: -90.125318
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -13.745
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -24.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -275.763292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.763292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.763292 (E_RNA)
where:
Base-Base interactions energy: -187.349
where: short stacking energy: -72.236
Base-Backbone interact. energy: -1.452
local terms energy: -86.962615
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -22.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -264.625816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.625816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.625816 (E_RNA)
where:
Base-Base interactions energy: -170.834
where: short stacking energy: -86.059
Base-Backbone interact. energy: -2.227
local terms energy: -91.564593
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -10.683
tors. eta vs tors. theta energy: -30.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -237.675537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.675537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.675537 (E_RNA)
where:
Base-Base interactions energy: -156.087
where: short stacking energy: -73.863
Base-Backbone interact. energy: -0.055
local terms energy: -81.532797
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -20.904
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -18.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -108.426175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.426175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.426175 (E_RNA)
where:
Base-Base interactions energy: -57.365
where: short stacking energy: -32.576
Base-Backbone interact. energy: 0.333
local terms energy: -51.393578
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -6.779
tors. eta vs tors. theta energy: -2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -97.239195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.239195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.239195 (E_RNA)
where:
Base-Base interactions energy: -41.408
where: short stacking energy: -28.411
Base-Backbone interact. energy: -0.936
local terms energy: -54.895102
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: 2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -305.020400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.020400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.020400 (E_RNA)
where:
Base-Base interactions energy: -208.795
where: short stacking energy: -91.337
Base-Backbone interact. energy: -0.583
local terms energy: -95.641927
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -24.888
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: 9
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -302.153378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.153378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.153378 (E_RNA)
where:
Base-Base interactions energy: -204.320
where: short stacking energy: -80.829
Base-Backbone interact. energy: -1.708
local terms energy: -96.125632
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -14.864
tors. eta vs tors. theta energy: -22.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -283.791744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.791744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.791744 (E_RNA)
where:
Base-Base interactions energy: -189.681
where: short stacking energy: -89.796
Base-Backbone interact. energy: -0.008
local terms energy: -94.102655
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -19.651
tors. eta vs tors. theta energy: -24.041
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: 10
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -269.128689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.128689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.128689 (E_RNA)
where:
Base-Base interactions energy: -190.668
where: short stacking energy: -88.320
Base-Backbone interact. energy: -0.980
local terms energy: -77.480241
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -11.560
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -22.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -279.428846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.428846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.428846 (E_RNA)
where:
Base-Base interactions energy: -183.609
where: short stacking energy: -69.251
Base-Backbone interact. energy: -0.012
local terms energy: -95.808463
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -15.145
tors. eta vs tors. theta energy: -23.247
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: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -255.446326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.446326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.446326 (E_RNA)
where:
Base-Base interactions energy: -169.191
where: short stacking energy: -74.746
Base-Backbone interact. energy: -0.102
local terms energy: -86.153969
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -22.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -258.468617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.468617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.468617 (E_RNA)
where:
Base-Base interactions energy: -171.021
where: short stacking energy: -76.853
Base-Backbone interact. energy: 0.328
local terms energy: -87.776550
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -21.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -263.937376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.937376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.937376 (E_RNA)
where:
Base-Base interactions energy: -180.625
where: short stacking energy: -79.271
Base-Backbone interact. energy: -0.011
local terms energy: -83.301199
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -25.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -94.645603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.645603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.645603 (E_RNA)
where:
Base-Base interactions energy: -34.289
where: short stacking energy: -34.289
Base-Backbone interact. energy: -0.230
local terms energy: -60.126493
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -93.467232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.467232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.467232 (E_RNA)
where:
Base-Base interactions energy: -35.525
where: short stacking energy: -35.525
Base-Backbone interact. energy: -0.159
local terms energy: -57.783350
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -314.914298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.914298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.914298 (E_RNA)
where:
Base-Base interactions energy: -221.694
where: short stacking energy: -92.787
Base-Backbone interact. energy: -0.737
local terms energy: -92.483092
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -18.691
flat angles C4'-P-C4' energy: -21.969
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -22.995
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: 2, replica: 9
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -309.756021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.756021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.756021 (E_RNA)
where:
Base-Base interactions energy: -216.690
where: short stacking energy: -85.204
Base-Backbone interact. energy: 0.483
local terms energy: -93.548150
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -18.533
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -285.209184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.209184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.209184 (E_RNA)
where:
Base-Base interactions energy: -188.407
where: short stacking energy: -88.635
Base-Backbone interact. energy: -0.119
local terms energy: -96.682871
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -21.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -279.488270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.488270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.488270 (E_RNA)
where:
Base-Base interactions energy: -200.299
where: short stacking energy: -84.918
Base-Backbone interact. energy: -0.233
local terms energy: -78.956716
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -20.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -278.184888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.184888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.184888 (E_RNA)
where:
Base-Base interactions energy: -187.076
where: short stacking energy: -82.946
Base-Backbone interact. energy: 0.161
local terms energy: -91.268995
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -19.858
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -21.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -255.472125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.472125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.472125 (E_RNA)
where:
Base-Base interactions energy: -170.289
where: short stacking energy: -78.978
Base-Backbone interact. energy: -0.820
local terms energy: -84.363085
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -22.851
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: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -261.058248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.058248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.058248 (E_RNA)
where:
Base-Base interactions energy: -172.404
where: short stacking energy: -78.573
Base-Backbone interact. energy: -0.013
local terms energy: -88.640617
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -22.055
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -20.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -241.827824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.827824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.827824 (E_RNA)
where:
Base-Base interactions energy: -163.088
where: short stacking energy: -76.496
Base-Backbone interact. energy: -0.295
local terms energy: -78.444319
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -17.469
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -5.016
tors. eta vs tors. theta energy: -23.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -96.430067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.430067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.430067 (E_RNA)
where:
Base-Base interactions energy: -35.859
where: short stacking energy: -33.639
Base-Backbone interact. energy: -0.247
local terms energy: -60.324021
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: 2.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -87.396363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.396363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.396363 (E_RNA)
where:
Base-Base interactions energy: -35.459
where: short stacking energy: -34.504
Base-Backbone interact. energy: -0.048
local terms energy: -51.889187
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -8.557
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -2.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -302.369403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.369403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.369403 (E_RNA)
where:
Base-Base interactions energy: -205.368
where: short stacking energy: -92.049
Base-Backbone interact. energy: -1.186
local terms energy: -95.814979
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -16.957
tors. eta vs tors. theta energy: -19.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -301.325639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.325639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.325639 (E_RNA)
where:
Base-Base interactions energy: -213.812
where: short stacking energy: -83.579
Base-Backbone interact. energy: -0.388
local terms energy: -87.125789
where:
bonds (distance) C4'-P energy: -18.421
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -289.548833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.548833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.548833 (E_RNA)
where:
Base-Base interactions energy: -198.748
where: short stacking energy: -88.242
Base-Backbone interact. energy: -0.309
local terms energy: -90.492115
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -19.938
flat angles C4'-P-C4' energy: -19.997
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -22.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -276.134937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.134937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.134937 (E_RNA)
where:
Base-Base interactions energy: -178.758
where: short stacking energy: -78.915
Base-Backbone interact. energy: -0.201
local terms energy: -97.175243
where:
bonds (distance) C4'-P energy: -21.290
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -14.767
tors. eta vs tors. theta energy: -23.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -273.577428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.577428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.577428 (E_RNA)
where:
Base-Base interactions energy: -175.462
where: short stacking energy: -92.048
Base-Backbone interact. energy: -0.006
local terms energy: -98.109656
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -21.906
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -24.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -267.428598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.428598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.428598 (E_RNA)
where:
Base-Base interactions energy: -175.610
where: short stacking energy: -75.770
Base-Backbone interact. energy: -0.215
local terms energy: -91.603515
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -23.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -258.889680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.889680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.889680 (E_RNA)
where:
Base-Base interactions energy: -185.732
where: short stacking energy: -85.882
Base-Backbone interact. energy: -0.027
local terms energy: -73.130769
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -21.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -244.455684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.455684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.455684 (E_RNA)
where:
Base-Base interactions energy: -164.989
where: short stacking energy: -65.819
Base-Backbone interact. energy: -0.236
local terms energy: -79.230603
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -15.988
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -15.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -102.043561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.043561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.043561 (E_RNA)
where:
Base-Base interactions energy: -29.977
where: short stacking energy: -30.662
Base-Backbone interact. energy: -0.096
local terms energy: -71.970351
where:
bonds (distance) C4'-P energy: -21.448
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -19.129
flat angles P-C4'-P energy: -9.717
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -91.992415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.992415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.992415 (E_RNA)
where:
Base-Base interactions energy: -26.985
where: short stacking energy: -21.070
Base-Backbone interact. energy: -0.257
local terms energy: -64.750289
where:
bonds (distance) C4'-P energy: -19.585
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -301.994821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.994821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.994821 (E_RNA)
where:
Base-Base interactions energy: -202.894
where: short stacking energy: -88.913
Base-Backbone interact. energy: -0.346
local terms energy: -98.754789
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -18.075
tors. eta vs tors. theta energy: -23.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -305.537728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.537728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.537728 (E_RNA)
where:
Base-Base interactions energy: -213.668
where: short stacking energy: -84.125
Base-Backbone interact. energy: -1.776
local terms energy: -90.093619
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -21.456
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -297.902797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.902797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.902797 (E_RNA)
where:
Base-Base interactions energy: -206.772
where: short stacking energy: -83.740
Base-Backbone interact. energy: 0.790
local terms energy: -91.920522
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -16.060
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: 4, replica: 10
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -278.645836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.645836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.645836 (E_RNA)
where:
Base-Base interactions energy: -191.150
where: short stacking energy: -88.219
Base-Backbone interact. energy: -0.534
local terms energy: -86.962760
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -8.003
tors. eta vs tors. theta energy: -25.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -283.849976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.849976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.849976 (E_RNA)
where:
Base-Base interactions energy: -184.574
where: short stacking energy: -87.217
Base-Backbone interact. energy: -0.204
local terms energy: -99.072459
where:
bonds (distance) C4'-P energy: -18.297
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -16.587
flat angles P-C4'-P energy: -16.401
tors. eta vs tors. theta energy: -30.570
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: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -271.645372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.645372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.645372 (E_RNA)
where:
Base-Base interactions energy: -185.956
where: short stacking energy: -80.845
Base-Backbone interact. energy: -1.114
local terms energy: -84.575228
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -12.339
flat angles C4'-P-C4' energy: -22.188
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -21.408
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: 1
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -251.011125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.011125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.011125 (E_RNA)
where:
Base-Base interactions energy: -169.811
where: short stacking energy: -75.608
Base-Backbone interact. energy: -0.179
local terms energy: -81.020408
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -14.522
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: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -247.802245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.802245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.802245 (E_RNA)
where:
Base-Base interactions energy: -161.893
where: short stacking energy: -82.737
Base-Backbone interact. energy: -0.067
local terms energy: -85.842341
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -8.173
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: 9, replica: 3
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -89.884388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.884388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.884388 (E_RNA)
where:
Base-Base interactions energy: -34.681
where: short stacking energy: -33.397
Base-Backbone interact. energy: -0.291
local terms energy: -54.912666
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -19.290
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -6.896
tors. eta vs tors. theta energy: -1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -89.661797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.661797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.661797 (E_RNA)
where:
Base-Base interactions energy: -24.478
where: short stacking energy: -24.678
Base-Backbone interact. energy: -0.402
local terms energy: -64.782089
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: 1.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -305.665144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.665144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.665144 (E_RNA)
where:
Base-Base interactions energy: -211.580
where: short stacking energy: -83.308
Base-Backbone interact. energy: 2.134
local terms energy: -96.218650
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -18.548
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: 7
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -304.991535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.991535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.991535 (E_RNA)
where:
Base-Base interactions energy: -207.012
where: short stacking energy: -95.000
Base-Backbone interact. energy: -0.229
local terms energy: -97.750483
where:
bonds (distance) C4'-P energy: -19.480
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -16.262
tors. eta vs tors. theta energy: -24.417
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: 10
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -287.722043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.722043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.722043 (E_RNA)
where:
Base-Base interactions energy: -195.676
where: short stacking energy: -79.716
Base-Backbone interact. energy: -0.036
local terms energy: -92.009977
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -15.836
tors. eta vs tors. theta energy: -20.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -287.264118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.264118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.264118 (E_RNA)
where:
Base-Base interactions energy: -192.812
where: short stacking energy: -96.406
Base-Backbone interact. energy: -0.014
local terms energy: -94.437206
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -21.397
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -28.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -275.797295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.797295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.797295 (E_RNA)
where:
Base-Base interactions energy: -176.281
where: short stacking energy: -90.253
Base-Backbone interact. energy: -0.000
local terms energy: -99.516084
where:
bonds (distance) C4'-P energy: -16.505
bonds (distance) P-C4' energy: -17.475
flat angles C4'-P-C4' energy: -22.517
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -26.453
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: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -262.076816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.076816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.076816 (E_RNA)
where:
Base-Base interactions energy: -177.097
where: short stacking energy: -86.526
Base-Backbone interact. energy: -0.111
local terms energy: -84.868959
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -282.575684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.575684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.575684 (E_RNA)
where:
Base-Base interactions energy: -190.151
where: short stacking energy: -81.394
Base-Backbone interact. energy: 0.317
local terms energy: -92.741844
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -21.457
flat angles C4'-P-C4' energy: -20.941
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -21.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -244.413175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.413175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.413175 (E_RNA)
where:
Base-Base interactions energy: -173.786
where: short stacking energy: -84.385
Base-Backbone interact. energy: -0.444
local terms energy: -70.182663
where:
bonds (distance) C4'-P energy: -8.299
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -16.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -110.002340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.002340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.002340 (E_RNA)
where:
Base-Base interactions energy: -37.184
where: short stacking energy: -26.937
Base-Backbone interact. energy: -0.720
local terms energy: -72.098218
where:
bonds (distance) C4'-P energy: -20.893
bonds (distance) P-C4' energy: -22.864
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -6.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -103.615893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.615893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.615893 (E_RNA)
where:
Base-Base interactions energy: -49.156
where: short stacking energy: -37.288
Base-Backbone interact. energy: -0.948
local terms energy: -53.511680
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -10.819
tors. eta vs tors. theta energy: -0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -308.718774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.718774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.718774 (E_RNA)
where:
Base-Base interactions energy: -218.750
where: short stacking energy: -82.204
Base-Backbone interact. energy: -0.541
local terms energy: -89.427566
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -15.758
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -310.081679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.081679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.081679 (E_RNA)
where:
Base-Base interactions energy: -215.228
where: short stacking energy: -95.603
Base-Backbone interact. energy: -0.531
local terms energy: -94.323166
where:
bonds (distance) C4'-P energy: -20.968
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -280.878713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.878713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.878713 (E_RNA)
where:
Base-Base interactions energy: -192.330
where: short stacking energy: -80.151
Base-Backbone interact. energy: -0.690
local terms energy: -87.858455
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -15.563
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -283.258762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.258762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.258762 (E_RNA)
where:
Base-Base interactions energy: -191.443
where: short stacking energy: -89.179
Base-Backbone interact. energy: -0.867
local terms energy: -90.948927
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -25.540
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: 5, replica: 2
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -271.082284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.082284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.082284 (E_RNA)
where:
Base-Base interactions energy: -184.505
where: short stacking energy: -77.759
Base-Backbone interact. energy: -0.404
local terms energy: -86.173095
where:
bonds (distance) C4'-P energy: -19.252
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -8.886
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: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -270.769018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.769018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.769018 (E_RNA)
where:
Base-Base interactions energy: -182.511
where: short stacking energy: -93.106
Base-Backbone interact. energy: -0.007
local terms energy: -88.251084
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -21.348
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -8.285
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: 7, replica: 4
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -244.421097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.421097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.421097 (E_RNA)
where:
Base-Base interactions energy: -157.464
where: short stacking energy: -70.613
Base-Backbone interact. energy: -0.059
local terms energy: -86.898159
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -14.981
tors. eta vs tors. theta energy: -22.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -242.395493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.395493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.395493 (E_RNA)
where:
Base-Base interactions energy: -164.572
where: short stacking energy: -79.498
Base-Backbone interact. energy: -0.551
local terms energy: -77.272408
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -21.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -102.552965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.552965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.552965 (E_RNA)
where:
Base-Base interactions energy: -51.363
where: short stacking energy: -33.663
Base-Backbone interact. energy: -0.292
local terms energy: -50.897638
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: 0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -105.682422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.682422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.682422 (E_RNA)
where:
Base-Base interactions energy: -45.882
where: short stacking energy: -34.116
Base-Backbone interact. energy: 1.788
local terms energy: -61.588404
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -11.645
flat angles C4'-P-C4' energy: -19.176
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -4.164
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: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -307.955043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.955043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.955043 (E_RNA)
where:
Base-Base interactions energy: -214.559
where: short stacking energy: -89.710
Base-Backbone interact. energy: -0.165
local terms energy: -93.231012
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -15.689
tors. eta vs tors. theta energy: -22.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -303.212933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.212933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.212933 (E_RNA)
where:
Base-Base interactions energy: -216.602
where: short stacking energy: -84.727
Base-Backbone interact. energy: -0.278
local terms energy: -86.333873
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -9.833
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: 3, replica: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -271.939988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.939988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.939988 (E_RNA)
where:
Base-Base interactions energy: -191.954
where: short stacking energy: -72.617
Base-Backbone interact. energy: -1.005
local terms energy: -78.980829
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -21.027
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -268.058023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.058023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.058023 (E_RNA)
where:
Base-Base interactions energy: -177.151
where: short stacking energy: -84.656
Base-Backbone interact. energy: -0.417
local terms energy: -90.489996
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -23.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -265.259221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.259221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.259221 (E_RNA)
where:
Base-Base interactions energy: -184.985
where: short stacking energy: -78.071
Base-Backbone interact. energy: 0.838
local terms energy: -81.111790
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -267.735602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.735602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.735602 (E_RNA)
where:
Base-Base interactions energy: -178.888
where: short stacking energy: -81.076
Base-Backbone interact. energy: -0.258
local terms energy: -88.589754
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -20.048
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -23.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -229.730392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.730392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.730392 (E_RNA)
where:
Base-Base interactions energy: -147.376
where: short stacking energy: -69.411
Base-Backbone interact. energy: -0.132
local terms energy: -82.221538
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -19.493
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -230.160769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.160769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.160769 (E_RNA)
where:
Base-Base interactions energy: -159.178
where: short stacking energy: -73.557
Base-Backbone interact. energy: -0.127
local terms energy: -70.856297
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -10.653
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: 5
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -107.387813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.387813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.387813 (E_RNA)
where:
Base-Base interactions energy: -48.161
where: short stacking energy: -29.223
Base-Backbone interact. energy: -0.839
local terms energy: -58.388300
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: 0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -98.114032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.114032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.114032 (E_RNA)
where:
Base-Base interactions energy: -35.910
where: short stacking energy: -35.352
Base-Backbone interact. energy: -0.277
local terms energy: -61.927446
where:
bonds (distance) C4'-P energy: -17.303
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -303.644667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.644667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.644667 (E_RNA)
where:
Base-Base interactions energy: -201.544
where: short stacking energy: -76.648
Base-Backbone interact. energy: 0.147
local terms energy: -102.247705
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -23.046
flat angles C4'-P-C4' energy: -22.860
flat angles P-C4'-P energy: -13.676
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: 2, replica: 9
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -301.642358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.642358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.642358 (E_RNA)
where:
Base-Base interactions energy: -207.558
where: short stacking energy: -82.815
Base-Backbone interact. energy: -0.169
local terms energy: -93.915065
where:
bonds (distance) C4'-P energy: -20.520
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -16.279
tors. eta vs tors. theta energy: -19.068
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: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -275.828899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.828899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.828899 (E_RNA)
where:
Base-Base interactions energy: -181.961
where: short stacking energy: -85.702
Base-Backbone interact. energy: 1.391
local terms energy: -95.259738
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -23.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -277.164651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.164651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.164651 (E_RNA)
where:
Base-Base interactions energy: -185.033
where: short stacking energy: -88.957
Base-Backbone interact. energy: -0.197
local terms energy: -91.935421
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -19.276
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -23.286
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: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -277.062282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.062282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.062282 (E_RNA)
where:
Base-Base interactions energy: -185.649
where: short stacking energy: -75.548
Base-Backbone interact. energy: -0.550
local terms energy: -90.863109
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -20.989
flat angles C4'-P-C4' energy: -22.451
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -21.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -248.461784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.461784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.461784 (E_RNA)
where:
Base-Base interactions energy: -156.272
where: short stacking energy: -77.208
Base-Backbone interact. energy: -0.406
local terms energy: -91.783729
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -20.489
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -22.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -270.462166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.462166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.462166 (E_RNA)
where:
Base-Base interactions energy: -171.001
where: short stacking energy: -82.293
Base-Backbone interact. energy: -0.011
local terms energy: -99.450219
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -29.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -207.191479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.191479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.191479 (E_RNA)
where:
Base-Base interactions energy: -133.586
where: short stacking energy: -60.814
Base-Backbone interact. energy: 1.426
local terms energy: -75.031587
where:
bonds (distance) C4'-P energy: -9.137
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -20.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -109.187739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.187739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.187739 (E_RNA)
where:
Base-Base interactions energy: -43.939
where: short stacking energy: -40.518
Base-Backbone interact. energy: 0.069
local terms energy: -65.317341
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -10.977
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -7.174
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: 3
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -105.648180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.648180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.648180 (E_RNA)
where:
Base-Base interactions energy: -39.815
where: short stacking energy: -34.432
Base-Backbone interact. energy: -0.074
local terms energy: -65.759014
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -10.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -304.055702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.055702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.055702 (E_RNA)
where:
Base-Base interactions energy: -208.679
where: short stacking energy: -87.328
Base-Backbone interact. energy: -0.150
local terms energy: -95.227466
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -21.768
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -22.259
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: 9
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -299.604355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.604355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.604355 (E_RNA)
where:
Base-Base interactions energy: -205.105
where: short stacking energy: -80.650
Base-Backbone interact. energy: -0.325
local terms energy: -94.174328
where:
bonds (distance) C4'-P energy: -21.360
bonds (distance) P-C4' energy: -22.625
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -13.718
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: 3, replica: 10
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -283.938945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.938945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.938945 (E_RNA)
where:
Base-Base interactions energy: -190.518
where: short stacking energy: -88.334
Base-Backbone interact. energy: -0.372
local terms energy: -93.049044
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -19.762
flat angles C4'-P-C4' energy: -21.739
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -22.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -273.375151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.375151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.375151 (E_RNA)
where:
Base-Base interactions energy: -179.279
where: short stacking energy: -84.922
Base-Backbone interact. energy: -0.815
local terms energy: -93.280480
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -25.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -279.655872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.655872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.655872 (E_RNA)
where:
Base-Base interactions energy: -180.104
where: short stacking energy: -92.295
Base-Backbone interact. energy: -0.002
local terms energy: -99.549453
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -15.158
tors. eta vs tors. theta energy: -26.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -259.072762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.072762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.072762 (E_RNA)
where:
Base-Base interactions energy: -174.764
where: short stacking energy: -82.525
Base-Backbone interact. energy: -0.278
local terms energy: -84.030877
where:
bonds (distance) C4'-P energy: -20.310
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -9.037
tors. eta vs tors. theta energy: -19.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -251.541298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.541298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.541298 (E_RNA)
where:
Base-Base interactions energy: -163.143
where: short stacking energy: -75.881
Base-Backbone interact. energy: -0.066
local terms energy: -88.332391
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -21.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -181.316629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.316629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.316629 (E_RNA)
where:
Base-Base interactions energy: -107.739
where: short stacking energy: -59.210
Base-Backbone interact. energy: -0.192
local terms energy: -73.385044
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -15.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -108.744808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.744808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.744808 (E_RNA)
where:
Base-Base interactions energy: -50.483
where: short stacking energy: -34.383
Base-Backbone interact. energy: -0.561
local terms energy: -57.700920
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -98.577044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.577044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.577044 (E_RNA)
where:
Base-Base interactions energy: -40.664
where: short stacking energy: -27.862
Base-Backbone interact. energy: -0.026
local terms energy: -57.887559
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -11.729
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -303.657975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.657975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.657975 (E_RNA)
where:
Base-Base interactions energy: -210.782
where: short stacking energy: -86.990
Base-Backbone interact. energy: -0.947
local terms energy: -91.928730
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -22.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -290.709523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.709523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.709523 (E_RNA)
where:
Base-Base interactions energy: -194.930
where: short stacking energy: -97.565
Base-Backbone interact. energy: -0.234
local terms energy: -95.545848
where:
bonds (distance) C4'-P energy: -17.759
bonds (distance) P-C4' energy: -21.218
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -25.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -296.588691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.588691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.588691 (E_RNA)
where:
Base-Base interactions energy: -203.706
where: short stacking energy: -84.867
Base-Backbone interact. energy: -2.021
local terms energy: -90.861688
where:
bonds (distance) C4'-P energy: -21.778
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -13.958
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: 4, replica: 4
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -271.931120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.931120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.931120 (E_RNA)
where:
Base-Base interactions energy: -177.824
where: short stacking energy: -79.641
Base-Backbone interact. energy: -0.308
local terms energy: -93.799286
where:
bonds (distance) C4'-P energy: -19.712
bonds (distance) P-C4' energy: -22.294
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -14.069
tors. eta vs tors. theta energy: -19.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -286.862695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.862695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.862695 (E_RNA)
where:
Base-Base interactions energy: -197.031
where: short stacking energy: -82.176
Base-Backbone interact. energy: -0.099
local terms energy: -89.732586
where:
bonds (distance) C4'-P energy: -21.187
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -23.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -252.950834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.950834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.950834 (E_RNA)
where:
Base-Base interactions energy: -171.287
where: short stacking energy: -76.644
Base-Backbone interact. energy: -0.011
local terms energy: -81.652914
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -12.497
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -17.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -247.953556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.953556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.953556 (E_RNA)
where:
Base-Base interactions energy: -168.448
where: short stacking energy: -78.748
Base-Backbone interact. energy: -0.461
local terms energy: -79.044582
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: -20.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -112.036248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.036248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.036248 (E_RNA)
where:
Base-Base interactions energy: -51.274
where: short stacking energy: -36.454
Base-Backbone interact. energy: -0.379
local terms energy: -60.383528
where:
bonds (distance) C4'-P energy: -14.986
bonds (distance) P-C4' energy: -18.854
flat angles C4'-P-C4' energy: -12.879
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -1.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -159.700515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.700515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.700515 (E_RNA)
where:
Base-Base interactions energy: -89.824
where: short stacking energy: -43.127
Base-Backbone interact. energy: -0.940
local terms energy: -68.936249
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -10.401
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: 10, replica: 5
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -93.491234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.491234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.491234 (E_RNA)
where:
Base-Base interactions energy: -41.705
where: short stacking energy: -30.869
Base-Backbone interact. energy: 0.407
local terms energy: -52.193242
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -12.018
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: 1.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -307.143429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.143429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.143429 (E_RNA)
where:
Base-Base interactions energy: -218.939
where: short stacking energy: -85.595
Base-Backbone interact. energy: -0.456
local terms energy: -87.748376
where:
bonds (distance) C4'-P energy: -19.543
bonds (distance) P-C4' energy: -13.779
flat angles C4'-P-C4' energy: -20.531
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -20.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -278.050284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.050284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.050284 (E_RNA)
where:
Base-Base interactions energy: -187.866
where: short stacking energy: -88.073
Base-Backbone interact. energy: -0.755
local terms energy: -89.429161
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -19.913
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -25.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -291.105182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.105182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.105182 (E_RNA)
where:
Base-Base interactions energy: -211.661
where: short stacking energy: -77.790
Base-Backbone interact. energy: -0.303
local terms energy: -79.141828
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -16.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -289.868343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.868343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.868343 (E_RNA)
where:
Base-Base interactions energy: -196.897
where: short stacking energy: -82.855
Base-Backbone interact. energy: -1.027
local terms energy: -91.944526
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -16.444
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: 5, replica: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -291.463856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.463856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.463856 (E_RNA)
where:
Base-Base interactions energy: -202.597
where: short stacking energy: -86.371
Base-Backbone interact. energy: -0.163
local terms energy: -88.703119
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -22.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -265.513512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.513512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.513512 (E_RNA)
where:
Base-Base interactions energy: -175.483
where: short stacking energy: -79.011
Base-Backbone interact. energy: 0.260
local terms energy: -90.290132
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -18.008
tors. eta vs tors. theta energy: -24.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -260.499172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.499172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.499172 (E_RNA)
where:
Base-Base interactions energy: -174.597
where: short stacking energy: -76.199
Base-Backbone interact. energy: -0.003
local terms energy: -85.898952
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -21.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -103.580748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.580748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.580748 (E_RNA)
where:
Base-Base interactions energy: -45.509
where: short stacking energy: -38.651
Base-Backbone interact. energy: -0.401
local terms energy: -57.671133
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -8.636
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -4.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -109.291541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.291541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.291541 (E_RNA)
where:
Base-Base interactions energy: -52.605
where: short stacking energy: -30.579
Base-Backbone interact. energy: -0.502
local terms energy: -56.185315
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -10.040
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -6.939
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: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -96.558240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.558240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.558240 (E_RNA)
where:
Base-Base interactions energy: -43.437
where: short stacking energy: -24.841
Base-Backbone interact. energy: -0.260
local terms energy: -52.861519
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: 5.349
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: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -309.122169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.122169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.122169 (E_RNA)
where:
Base-Base interactions energy: -215.093
where: short stacking energy: -80.540
Base-Backbone interact. energy: -0.164
local terms energy: -93.865941
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -22.641
flat angles C4'-P-C4' energy: -17.121
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -297.118897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.118897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.118897 (E_RNA)
where:
Base-Base interactions energy: -201.356
where: short stacking energy: -83.135
Base-Backbone interact. energy: -1.570
local terms energy: -94.192632
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -22.563
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: 3, replica: 10
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -292.280506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.280506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.280506 (E_RNA)
where:
Base-Base interactions energy: -200.522
where: short stacking energy: -97.052
Base-Backbone interact. energy: -1.198
local terms energy: -90.560107
where:
bonds (distance) C4'-P energy: -18.770
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -16.123
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: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -267.119959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.119959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.119959 (E_RNA)
where:
Base-Base interactions energy: -180.330
where: short stacking energy: -84.782
Base-Backbone interact. energy: -0.182
local terms energy: -86.607909
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -15.156
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: 5, replica: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -269.190206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.190206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.190206 (E_RNA)
where:
Base-Base interactions energy: -181.719
where: short stacking energy: -76.710
Base-Backbone interact. energy: -0.096
local terms energy: -87.375210
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -22.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -259.632311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.632311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.632311 (E_RNA)
where:
Base-Base interactions energy: -173.402
where: short stacking energy: -83.453
Base-Backbone interact. energy: -0.684
local terms energy: -85.546866
where:
bonds (distance) C4'-P energy: -19.505
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -8.992
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: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -258.561413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.561413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.561413 (E_RNA)
where:
Base-Base interactions energy: -174.594
where: short stacking energy: -79.988
Base-Backbone interact. energy: -0.351
local terms energy: -83.615717
where:
bonds (distance) C4'-P energy: -12.475
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -13.098
tors. eta vs tors. theta energy: -19.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -113.836884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.836884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.836884 (E_RNA)
where:
Base-Base interactions energy: -59.607
where: short stacking energy: -44.036
Base-Backbone interact. energy: -1.007
local terms energy: -53.223069
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -13.077
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -5.542
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -98.621975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.621975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.621975 (E_RNA)
where:
Base-Base interactions energy: -41.190
where: short stacking energy: -35.503
Base-Backbone interact. energy: -0.240
local terms energy: -57.191390
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -3.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -128.073547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.073547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.073547 (E_RNA)
where:
Base-Base interactions energy: -69.198
where: short stacking energy: -42.626
Base-Backbone interact. energy: 0.293
local terms energy: -59.168344
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: 0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -304.020743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.020743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.020743 (E_RNA)
where:
Base-Base interactions energy: -214.196
where: short stacking energy: -89.749
Base-Backbone interact. energy: 0.002
local terms energy: -89.826148
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -23.092
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -19.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -300.938240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.938240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.938240 (E_RNA)
where:
Base-Base interactions energy: -204.983
where: short stacking energy: -81.790
Base-Backbone interact. energy: -0.719
local terms energy: -95.236147
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -16.098
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: 3, replica: 10
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -298.274118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.274118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.274118 (E_RNA)
where:
Base-Base interactions energy: -196.534
where: short stacking energy: -98.582
Base-Backbone interact. energy: -0.001
local terms energy: -101.739680
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -20.512
flat angles C4'-P-C4' energy: -20.416
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -30.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -294.431987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.431987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.431987 (E_RNA)
where:
Base-Base interactions energy: -198.757
where: short stacking energy: -97.519
Base-Backbone interact. energy: -0.001
local terms energy: -95.674139
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -15.479
tors. eta vs tors. theta energy: -26.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -280.883985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.883985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.883985 (E_RNA)
where:
Base-Base interactions energy: -184.947
where: short stacking energy: -93.390
Base-Backbone interact. energy: -0.306
local terms energy: -95.631311
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -277.586597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.586597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.586597 (E_RNA)
where:
Base-Base interactions energy: -187.934
where: short stacking energy: -87.895
Base-Backbone interact. energy: -0.022
local terms energy: -89.630287
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -14.061
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: 6
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -241.851634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.851634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.851634 (E_RNA)
where:
Base-Base interactions energy: -169.242
where: short stacking energy: -75.102
Base-Backbone interact. energy: -0.156
local terms energy: -72.453245
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -17.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -105.847108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.847108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.847108 (E_RNA)
where:
Base-Base interactions energy: -45.964
where: short stacking energy: -40.979
Base-Backbone interact. energy: -0.186
local terms energy: -59.697368
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -2.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -101.514823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.514823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.514823 (E_RNA)
where:
Base-Base interactions energy: -36.131
where: short stacking energy: -26.472
Base-Backbone interact. energy: -1.534
local terms energy: -63.849857
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -11.051
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -95.839037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.839037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.839037 (E_RNA)
where:
Base-Base interactions energy: -41.456
where: short stacking energy: -33.068
Base-Backbone interact. energy: -0.356
local terms energy: -54.026551
where:
bonds (distance) C4'-P energy: -18.736
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -1.046
tors. eta vs tors. theta energy: 0.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -306.432600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.432600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.432600 (E_RNA)
where:
Base-Base interactions energy: -215.635
where: short stacking energy: -84.218
Base-Backbone interact. energy: -0.256
local terms energy: -90.541918
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -21.762
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -298.345835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.345835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.345835 (E_RNA)
where:
Base-Base interactions energy: -209.397
where: short stacking energy: -86.671
Base-Backbone interact. energy: -0.423
local terms energy: -88.525274
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -21.521
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: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -293.380445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.380445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.380445 (E_RNA)
where:
Base-Base interactions energy: -208.940
where: short stacking energy: -84.825
Base-Backbone interact. energy: 1.391
local terms energy: -85.831122
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -21.200
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: 2
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -280.378498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.378498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.378498 (E_RNA)
where:
Base-Base interactions energy: -186.292
where: short stacking energy: -91.495
Base-Backbone interact. energy: -0.037
local terms energy: -94.048925
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -26.953
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: 8
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -274.643484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.643484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.643484 (E_RNA)
where:
Base-Base interactions energy: -196.612
where: short stacking energy: -90.488
Base-Backbone interact. energy: 0.462
local terms energy: -78.494178
where:
bonds (distance) C4'-P energy: -7.298
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -28.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -266.821909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.821909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.821909 (E_RNA)
where:
Base-Base interactions energy: -180.487
where: short stacking energy: -76.595
Base-Backbone interact. energy: -1.412
local terms energy: -84.922545
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -14.017
tors. eta vs tors. theta energy: -21.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -224.234666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.234666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.234666 (E_RNA)
where:
Base-Base interactions energy: -146.759
where: short stacking energy: -68.580
Base-Backbone interact. energy: -0.199
local terms energy: -77.276442
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -16.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -99.794146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.794146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.794146 (E_RNA)
where:
Base-Base interactions energy: -38.591
where: short stacking energy: -38.591
Base-Backbone interact. energy: -0.066
local terms energy: -61.137137
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -0.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -105.740088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.740088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.740088 (E_RNA)
where:
Base-Base interactions energy: -31.549
where: short stacking energy: -31.549
Base-Backbone interact. energy: -0.045
local terms energy: -74.145623
where:
bonds (distance) C4'-P energy: -19.120
bonds (distance) P-C4' energy: -21.529
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -2.876
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: 3
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -103.817718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.817718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.817718 (E_RNA)
where:
Base-Base interactions energy: -44.530
where: short stacking energy: -43.030
Base-Backbone interact. energy: -0.101
local terms energy: -59.187032
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -13.756
flat angles C4'-P-C4' energy: -10.189
flat angles P-C4'-P energy: -3.520
tors. eta vs tors. theta energy: -9.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -304.698777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.698777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.698777 (E_RNA)
where:
Base-Base interactions energy: -213.872
where: short stacking energy: -85.117
Base-Backbone interact. energy: -0.042
local terms energy: -90.785006
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -17.338
flat angles P-C4'-P energy: -14.073
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: 2, replica: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -293.391742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.391742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.391742 (E_RNA)
where:
Base-Base interactions energy: -209.262
where: short stacking energy: -87.779
Base-Backbone interact. energy: -0.251
local terms energy: -83.879379
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -20.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -299.760146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.760146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.760146 (E_RNA)
where:
Base-Base interactions energy: -210.351
where: short stacking energy: -81.760
Base-Backbone interact. energy: -0.220
local terms energy: -89.189000
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -16.433
flat angles P-C4'-P energy: -11.251
tors. eta vs tors. theta energy: -23.288
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: 4, replica: 2
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -272.083732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.083732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.083732 (E_RNA)
where:
Base-Base interactions energy: -186.675
where: short stacking energy: -82.772
Base-Backbone interact. energy: -0.131
local terms energy: -85.278273
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -18.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -276.479629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.479629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.479629 (E_RNA)
where:
Base-Base interactions energy: -186.791
where: short stacking energy: -85.650
Base-Backbone interact. energy: -0.138
local terms energy: -89.549916
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -21.861
flat angles P-C4'-P energy: -14.551
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: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -266.725574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.725574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.725574 (E_RNA)
where:
Base-Base interactions energy: -174.065
where: short stacking energy: -86.306
Base-Backbone interact. energy: -0.226
local terms energy: -92.435042
where:
bonds (distance) C4'-P energy: -22.148
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -21.414
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -24.227
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: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -245.553287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.553287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.553287 (E_RNA)
where:
Base-Base interactions energy: -157.403
where: short stacking energy: -81.541
Base-Backbone interact. energy: -0.067
local terms energy: -88.083524
where:
bonds (distance) C4'-P energy: -19.789
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -14.892
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: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -121.565080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.565080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.565080 (E_RNA)
where:
Base-Base interactions energy: -52.866
where: short stacking energy: -37.134
Base-Backbone interact. energy: -0.221
local terms energy: -68.478515
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -105.237619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.237619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.237619 (E_RNA)
where:
Base-Base interactions energy: -43.076
where: short stacking energy: -41.884
Base-Backbone interact. energy: -2.022
local terms energy: -60.139368
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -8.760
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -106.519014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.519014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.519014 (E_RNA)
where:
Base-Base interactions energy: -57.918
where: short stacking energy: -44.870
Base-Backbone interact. energy: 0.472
local terms energy: -49.073128
where:
bonds (distance) C4'-P energy: -8.784
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -6.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -314.666987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.666987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.666987 (E_RNA)
where:
Base-Base interactions energy: -216.175
where: short stacking energy: -88.259
Base-Backbone interact. energy: -0.880
local terms energy: -97.611978
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -23.477
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -13.673
tors. eta vs tors. theta energy: -19.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -290.371693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.371693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.371693 (E_RNA)
where:
Base-Base interactions energy: -192.235
where: short stacking energy: -95.013
Base-Backbone interact. energy: -0.004
local terms energy: -98.132898
where:
bonds (distance) C4'-P energy: -19.155
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -27.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -290.764619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.764619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.764619 (E_RNA)
where:
Base-Base interactions energy: -203.285
where: short stacking energy: -82.118
Base-Backbone interact. energy: -0.390
local terms energy: -87.089652
where:
bonds (distance) C4'-P energy: -18.152
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -19.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -273.037013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.037013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.037013 (E_RNA)
where:
Base-Base interactions energy: -176.396
where: short stacking energy: -83.324
Base-Backbone interact. energy: -0.834
local terms energy: -95.806982
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -14.345
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: 5, replica: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -269.219828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.219828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.219828 (E_RNA)
where:
Base-Base interactions energy: -177.706
where: short stacking energy: -89.642
Base-Backbone interact. energy: -0.002
local terms energy: -91.511913
where:
bonds (distance) C4'-P energy: -20.418
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -11.583
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: 6, replica: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -260.086287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.086287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.086287 (E_RNA)
where:
Base-Base interactions energy: -168.516
where: short stacking energy: -88.564
Base-Backbone interact. energy: -0.674
local terms energy: -90.896183
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -13.059
flat angles C4'-P-C4' energy: -20.258
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -25.200
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: 7, replica: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -250.521756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.521756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.521756 (E_RNA)
where:
Base-Base interactions energy: -158.253
where: short stacking energy: -76.008
Base-Backbone interact. energy: -0.105
local terms energy: -92.164444
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -11.825
tors. eta vs tors. theta energy: -24.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -106.613277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.613277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.613277 (E_RNA)
where:
Base-Base interactions energy: -50.593
where: short stacking energy: -36.392
Base-Backbone interact. energy: -0.759
local terms energy: -55.261716
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -22.616
flat angles C4'-P-C4' energy: -6.936
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -1.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -105.357858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.357858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.357858 (E_RNA)
where:
Base-Base interactions energy: -51.545
where: short stacking energy: -13.594
Base-Backbone interact. energy: 3.029
local terms energy: -56.841604
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -20.312
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: 3.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -109.416056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.416056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.416056 (E_RNA)
where:
Base-Base interactions energy: -42.988
where: short stacking energy: -35.510
Base-Backbone interact. energy: -0.163
local terms energy: -66.264295
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -298.846207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.846207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.846207 (E_RNA)
where:
Base-Base interactions energy: -202.925
where: short stacking energy: -97.151
Base-Backbone interact. energy: -0.046
local terms energy: -95.874770
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -21.520
flat angles C4'-P-C4' energy: -23.434
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -24.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -305.037704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.037704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.037704 (E_RNA)
where:
Base-Base interactions energy: -219.654
where: short stacking energy: -89.296
Base-Backbone interact. energy: 0.265
local terms energy: -85.648884
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -16.221
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: 3, replica: 9
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -295.515062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.515062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.515062 (E_RNA)
where:
Base-Base interactions energy: -210.559
where: short stacking energy: -78.048
Base-Backbone interact. energy: -0.696
local terms energy: -84.260534
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -17.454
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -16.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -284.408573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.408573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.408573 (E_RNA)
where:
Base-Base interactions energy: -192.721
where: short stacking energy: -87.023
Base-Backbone interact. energy: -0.146
local terms energy: -91.541536
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -20.522
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -22.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -283.634111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.634111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.634111 (E_RNA)
where:
Base-Base interactions energy: -189.775
where: short stacking energy: -81.948
Base-Backbone interact. energy: -0.030
local terms energy: -93.829262
where:
bonds (distance) C4'-P energy: -12.522
bonds (distance) P-C4' energy: -20.993
flat angles C4'-P-C4' energy: -22.404
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -23.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -261.083896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.083896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.083896 (E_RNA)
where:
Base-Base interactions energy: -167.993
where: short stacking energy: -74.544
Base-Backbone interact. energy: 0.603
local terms energy: -93.692932
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -18.016
flat angles C4'-P-C4' energy: -21.658
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -25.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -255.931377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.931377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.931377 (E_RNA)
where:
Base-Base interactions energy: -175.604
where: short stacking energy: -84.091
Base-Backbone interact. energy: 0.214
local terms energy: -80.540771
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -19.544
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: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -113.436096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.436096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.436096 (E_RNA)
where:
Base-Base interactions energy: -37.206
where: short stacking energy: -35.503
Base-Backbone interact. energy: -0.700
local terms energy: -75.530675
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -4.077
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: 3
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -95.085986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.085986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.085986 (E_RNA)
where:
Base-Base interactions energy: -36.661
where: short stacking energy: -36.603
Base-Backbone interact. energy: -0.131
local terms energy: -58.294080
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -1.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -99.016460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.016460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.016460 (E_RNA)
where:
Base-Base interactions energy: -35.373
where: short stacking energy: -34.762
Base-Backbone interact. energy: -0.023
local terms energy: -63.620422
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -20.917
flat angles P-C4'-P energy: -9.277
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: 10
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -299.306533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.306533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.306533 (E_RNA)
where:
Base-Base interactions energy: -193.242
where: short stacking energy: -98.399
Base-Backbone interact. energy: -0.037
local terms energy: -106.027196
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -24.648
flat angles P-C4'-P energy: -15.654
tors. eta vs tors. theta energy: -27.877
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: 7
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -300.480669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.480669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.480669 (E_RNA)
where:
Base-Base interactions energy: -206.049
where: short stacking energy: -84.651
Base-Backbone interact. energy: -0.303
local terms energy: -94.128888
where:
bonds (distance) C4'-P energy: -20.048
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -20.130
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: 9
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -297.983591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.983591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.983591 (E_RNA)
where:
Base-Base interactions energy: -214.791
where: short stacking energy: -76.941
Base-Backbone interact. energy: -0.272
local terms energy: -82.921225
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -292.692488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.692488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.692488 (E_RNA)
where:
Base-Base interactions energy: -187.344
where: short stacking energy: -91.676
Base-Backbone interact. energy: 0.782
local terms energy: -106.130672
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -21.728
flat angles C4'-P-C4' energy: -22.880
flat angles P-C4'-P energy: -16.451
tors. eta vs tors. theta energy: -28.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -271.349003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.349003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.349003 (E_RNA)
where:
Base-Base interactions energy: -195.370
where: short stacking energy: -84.250
Base-Backbone interact. energy: -0.038
local terms energy: -75.940904
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -11.748
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: 6
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -266.424299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.424299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.424299 (E_RNA)
where:
Base-Base interactions energy: -174.164
where: short stacking energy: -86.837
Base-Backbone interact. energy: -0.049
local terms energy: -92.211098
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -23.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -282.652039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.652039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.652039 (E_RNA)
where:
Base-Base interactions energy: -200.445
where: short stacking energy: -88.444
Base-Backbone interact. energy: -0.237
local terms energy: -81.970113
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -19.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -101.846840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.846840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.846840 (E_RNA)
where:
Base-Base interactions energy: -27.614
where: short stacking energy: -27.614
Base-Backbone interact. energy: -0.782
local terms energy: -73.450889
where:
bonds (distance) C4'-P energy: -22.011
bonds (distance) P-C4' energy: -18.049
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -6.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -129.467294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.467294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.467294 (E_RNA)
where:
Base-Base interactions energy: -70.483
where: short stacking energy: -46.127
Base-Backbone interact. energy: -0.094
local terms energy: -58.890162
where:
bonds (distance) C4'-P energy: -8.313
bonds (distance) P-C4' energy: -20.301
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -4.665
tors. eta vs tors. theta energy: -12.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -86.961840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.961840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.961840 (E_RNA)
where:
Base-Base interactions energy: -23.116
where: short stacking energy: -16.668
Base-Backbone interact. energy: -0.233
local terms energy: -63.613034
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -13.796
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -307.230875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.230875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.230875 (E_RNA)
where:
Base-Base interactions energy: -209.948
where: short stacking energy: -95.559
Base-Backbone interact. energy: -0.599
local terms energy: -96.684433
where:
bonds (distance) C4'-P energy: -18.442
bonds (distance) P-C4' energy: -22.680
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -11.728
tors. eta vs tors. theta energy: -25.157
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: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -305.633940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.633940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.633940 (E_RNA)
where:
Base-Base interactions energy: -207.846
where: short stacking energy: -86.101
Base-Backbone interact. energy: -0.214
local terms energy: -97.573156
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -20.459
flat angles C4'-P-C4' energy: -22.848
flat angles P-C4'-P energy: -16.531
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: 3, replica: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -290.145529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.145529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.145529 (E_RNA)
where:
Base-Base interactions energy: -193.125
where: short stacking energy: -91.429
Base-Backbone interact. energy: -0.044
local terms energy: -96.977255
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -21.176
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -26.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -297.795340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.795340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.795340 (E_RNA)
where:
Base-Base interactions energy: -210.043
where: short stacking energy: -78.240
Base-Backbone interact. energy: -1.221
local terms energy: -86.531788
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -23.213
flat angles P-C4'-P energy: -15.193
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -261.068121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.068121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.068121 (E_RNA)
where:
Base-Base interactions energy: -171.152
where: short stacking energy: -82.562
Base-Backbone interact. energy: -1.877
local terms energy: -88.039182
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -17.811
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -25.558
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: 2
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -264.906772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.906772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.906772 (E_RNA)
where:
Base-Base interactions energy: -180.512
where: short stacking energy: -87.687
Base-Backbone interact. energy: -0.056
local terms energy: -84.338229
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -12.961
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: 7, replica: 4
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -268.995169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.995169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.995169 (E_RNA)
where:
Base-Base interactions energy: -188.859
where: short stacking energy: -86.831
Base-Backbone interact. energy: -0.092
local terms energy: -80.043691
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -22.482
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -18.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -102.982099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.982099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.982099 (E_RNA)
where:
Base-Base interactions energy: -40.093
where: short stacking energy: -36.225
Base-Backbone interact. energy: -0.155
local terms energy: -62.733725
where:
bonds (distance) C4'-P energy: -20.172
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -11.717
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -111.056075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.056075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.056075 (E_RNA)
where:
Base-Base interactions energy: -41.710
where: short stacking energy: -40.925
Base-Backbone interact. energy: -0.073
local terms energy: -69.272841
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -16.425
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -6.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -103.042564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.042564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.042564 (E_RNA)
where:
Base-Base interactions energy: -46.389
where: short stacking energy: -25.550
Base-Backbone interact. energy: 0.004
local terms energy: -56.657933
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -17.140
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -2.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -307.265672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.265672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.265672 (E_RNA)
where:
Base-Base interactions energy: -213.571
where: short stacking energy: -104.038
Base-Backbone interact. energy: -0.379
local terms energy: -93.315384
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -22.539
flat angles C4'-P-C4' energy: -17.142
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -25.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -302.335720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.335720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.335720 (E_RNA)
where:
Base-Base interactions energy: -214.680
where: short stacking energy: -87.166
Base-Backbone interact. energy: 0.058
local terms energy: -87.713726
where:
bonds (distance) C4'-P energy: -20.329
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -13.297
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: 3, replica: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -285.929101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.929101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.929101 (E_RNA)
where:
Base-Base interactions energy: -186.634
where: short stacking energy: -82.425
Base-Backbone interact. energy: -0.587
local terms energy: -98.707656
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -26.551
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: 9
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -292.651643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.651643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.651643 (E_RNA)
where:
Base-Base interactions energy: -203.492
where: short stacking energy: -79.074
Base-Backbone interact. energy: 0.991
local terms energy: -90.150736
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -13.026
tors. eta vs tors. theta energy: -22.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -274.360704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.360704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.360704 (E_RNA)
where:
Base-Base interactions energy: -189.153
where: short stacking energy: -86.199
Base-Backbone interact. energy: -0.007
local terms energy: -85.199910
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -11.961
tors. eta vs tors. theta energy: -22.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -270.842309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.842309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.842309 (E_RNA)
where:
Base-Base interactions energy: -167.707
where: short stacking energy: -81.598
Base-Backbone interact. energy: -0.054
local terms energy: -103.081535
where:
bonds (distance) C4'-P energy: -22.710
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -16.082
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: 7, replica: 2
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -254.867792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.867792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.867792 (E_RNA)
where:
Base-Base interactions energy: -166.413
where: short stacking energy: -72.579
Base-Backbone interact. energy: -0.310
local terms energy: -88.145264
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -12.925
tors. eta vs tors. theta energy: -19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -105.693102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.693102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.693102 (E_RNA)
where:
Base-Base interactions energy: -48.761
where: short stacking energy: -41.660
Base-Backbone interact. energy: -0.410
local terms energy: -56.523055
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -19.083
flat angles C4'-P-C4' energy: -9.909
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -95.445330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.445330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.445330 (E_RNA)
where:
Base-Base interactions energy: -37.254
where: short stacking energy: -36.222
Base-Backbone interact. energy: -0.224
local terms energy: -57.967394
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -10.964
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -6.985
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: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -91.665998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.665998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.665998 (E_RNA)
where:
Base-Base interactions energy: -26.573
where: short stacking energy: -19.642
Base-Backbone interact. energy: -0.145
local terms energy: -64.947544
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -5.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -309.364863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.364863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.364863 (E_RNA)
where:
Base-Base interactions energy: -216.400
where: short stacking energy: -87.323
Base-Backbone interact. energy: -0.312
local terms energy: -92.652281
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -20.444
flat angles P-C4'-P energy: -16.050
tors. eta vs tors. theta energy: -18.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -305.029656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.029656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.029656 (E_RNA)
where:
Base-Base interactions energy: -212.923
where: short stacking energy: -92.711
Base-Backbone interact. energy: -1.855
local terms energy: -90.252184
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -20.347
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -25.720
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: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -306.519442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.519442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.519442 (E_RNA)
where:
Base-Base interactions energy: -219.128
where: short stacking energy: -94.843
Base-Backbone interact. energy: -0.007
local terms energy: -87.384364
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -18.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -298.888197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.888197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.888197 (E_RNA)
where:
Base-Base interactions energy: -210.323
where: short stacking energy: -81.551
Base-Backbone interact. energy: -0.145
local terms energy: -88.419699
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -20.431
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -15.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -293.239452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.239452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.239452 (E_RNA)
where:
Base-Base interactions energy: -199.830
where: short stacking energy: -94.341
Base-Backbone interact. energy: -1.198
local terms energy: -92.210767
where:
bonds (distance) C4'-P energy: -20.631
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -25.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -255.286737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.286737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.286737 (E_RNA)
where:
Base-Base interactions energy: -173.384
where: short stacking energy: -77.541
Base-Backbone interact. energy: -0.071
local terms energy: -81.832245
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -24.207
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: 2
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -247.643703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.643703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.643703 (E_RNA)
where:
Base-Base interactions energy: -165.929
where: short stacking energy: -74.835
Base-Backbone interact. energy: 0.807
local terms energy: -82.522027
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -19.152
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -20.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -106.523139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.523139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.523139 (E_RNA)
where:
Base-Base interactions energy: -41.064
where: short stacking energy: -36.760
Base-Backbone interact. energy: -0.407
local terms energy: -65.052033
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -5.985
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: 9, replica: 1
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -113.445843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.445843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.445843 (E_RNA)
where:
Base-Base interactions energy: -51.357
where: short stacking energy: -51.357
Base-Backbone interact. energy: -0.037
local terms energy: -62.052663
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -94.747530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.747530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.747530 (E_RNA)
where:
Base-Base interactions energy: -41.471
where: short stacking energy: -34.719
Base-Backbone interact. energy: -0.340
local terms energy: -52.936070
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -12.568
flat angles P-C4'-P energy: -4.439
tors. eta vs tors. theta energy: -10.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -305.513190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.513190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.513190 (E_RNA)
where:
Base-Base interactions energy: -212.202
where: short stacking energy: -83.955
Base-Backbone interact. energy: -0.148
local terms energy: -93.163162
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -21.352
flat angles P-C4'-P energy: -14.424
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: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -307.593755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.593755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.593755 (E_RNA)
where:
Base-Base interactions energy: -209.435
where: short stacking energy: -95.785
Base-Backbone interact. energy: -1.773
local terms energy: -96.385384
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -26.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -285.341908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.341908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.341908 (E_RNA)
where:
Base-Base interactions energy: -186.866
where: short stacking energy: -91.754
Base-Backbone interact. energy: -0.018
local terms energy: -98.457551
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -28.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -294.776534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.776534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.776534 (E_RNA)
where:
Base-Base interactions energy: -196.435
where: short stacking energy: -93.479
Base-Backbone interact. energy: -0.004
local terms energy: -98.337395
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -25.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -295.850770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.850770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.850770 (E_RNA)
where:
Base-Base interactions energy: -207.129
where: short stacking energy: -81.103
Base-Backbone interact. energy: 0.396
local terms energy: -89.117649
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -19.667
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -21.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -250.627919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.627919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.627919 (E_RNA)
where:
Base-Base interactions energy: -167.888
where: short stacking energy: -62.227
Base-Backbone interact. energy: -0.202
local terms energy: -82.537786
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -18.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -254.653327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.653327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.653327 (E_RNA)
where:
Base-Base interactions energy: -169.158
where: short stacking energy: -64.329
Base-Backbone interact. energy: -0.428
local terms energy: -85.067439
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -13.839
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -104.369501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.369501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.369501 (E_RNA)
where:
Base-Base interactions energy: -46.342
where: short stacking energy: -39.178
Base-Backbone interact. energy: -0.038
local terms energy: -57.989272
where:
bonds (distance) C4'-P energy: -12.058
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -12.755
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -4.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -136.849923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.849923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.849923 (E_RNA)
where:
Base-Base interactions energy: -76.284
where: short stacking energy: -50.260
Base-Backbone interact. energy: -1.150
local terms energy: -59.416102
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -7.888
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -5.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -94.370604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.370604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.370604 (E_RNA)
where:
Base-Base interactions energy: -42.944
where: short stacking energy: -41.424
Base-Backbone interact. energy: 0.397
local terms energy: -51.823725
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -13.865
flat angles C4'-P-C4' energy: -6.985
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -7.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -308.354914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.354914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.354914 (E_RNA)
where:
Base-Base interactions energy: -206.747
where: short stacking energy: -97.167
Base-Backbone interact. energy: -0.098
local terms energy: -101.509853
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -25.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -301.321081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.321081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.321081 (E_RNA)
where:
Base-Base interactions energy: -211.752
where: short stacking energy: -87.696
Base-Backbone interact. energy: -1.820
local terms energy: -87.749034
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -21.348
flat angles P-C4'-P energy: -17.828
tors. eta vs tors. theta energy: -18.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -279.587610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.587610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.587610 (E_RNA)
where:
Base-Base interactions energy: -178.877
where: short stacking energy: -84.677
Base-Backbone interact. energy: -2.798
local terms energy: -97.912140
where:
bonds (distance) C4'-P energy: -21.792
bonds (distance) P-C4' energy: -20.050
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -14.111
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: 4, replica: 4
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -300.595284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.595284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.595284 (E_RNA)
where:
Base-Base interactions energy: -201.674
where: short stacking energy: -87.610
Base-Backbone interact. energy: -1.442
local terms energy: -97.479895
where:
bonds (distance) C4'-P energy: -18.198
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -26.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -280.504546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.504546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.504546 (E_RNA)
where:
Base-Base interactions energy: -202.771
where: short stacking energy: -71.501
Base-Backbone interact. energy: -0.901
local terms energy: -76.832110
where:
bonds (distance) C4'-P energy: -16.988
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -14.273
tors. eta vs tors. theta energy: -13.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -260.452785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.452785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.452785 (E_RNA)
where:
Base-Base interactions energy: -184.150
where: short stacking energy: -84.600
Base-Backbone interact. energy: -0.057
local terms energy: -76.245934
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -17.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -253.693992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.693992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.693992 (E_RNA)
where:
Base-Base interactions energy: -162.726
where: short stacking energy: -68.968
Base-Backbone interact. energy: 1.305
local terms energy: -92.273813
where:
bonds (distance) C4'-P energy: -19.046
bonds (distance) P-C4' energy: -19.996
flat angles C4'-P-C4' energy: -20.271
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -20.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -110.326926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.326926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.326926 (E_RNA)
where:
Base-Base interactions energy: -46.457
where: short stacking energy: -40.252
Base-Backbone interact. energy: -1.196
local terms energy: -62.673879
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -156.081018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.081018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.081018 (E_RNA)
where:
Base-Base interactions energy: -96.518
where: short stacking energy: -42.083
Base-Backbone interact. energy: 0.301
local terms energy: -59.863926
where:
bonds (distance) C4'-P energy: -11.690
bonds (distance) P-C4' energy: -11.016
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -8.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -88.013192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.013192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.013192 (E_RNA)
where:
Base-Base interactions energy: -33.124
where: short stacking energy: -26.294
Base-Backbone interact. energy: -0.133
local terms energy: -54.756521
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -9.579
flat angles P-C4'-P energy: -11.581
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: 8
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -303.829323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.829323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.829323 (E_RNA)
where:
Base-Base interactions energy: -214.764
where: short stacking energy: -86.439
Base-Backbone interact. energy: 1.538
local terms energy: -90.604111
where:
bonds (distance) C4'-P energy: -21.663
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -11.476
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: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -300.031677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.031677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.031677 (E_RNA)
where:
Base-Base interactions energy: -218.639
where: short stacking energy: -88.202
Base-Backbone interact. energy: 1.084
local terms energy: -82.476221
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -16.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -290.277255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.277255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.277255 (E_RNA)
where:
Base-Base interactions energy: -189.126
where: short stacking energy: -96.159
Base-Backbone interact. energy: -0.138
local terms energy: -101.012858
where:
bonds (distance) C4'-P energy: -19.434
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -21.269
flat angles P-C4'-P energy: -12.580
tors. eta vs tors. theta energy: -29.273
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: 4, replica: 4
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -285.137458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.137458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.137458 (E_RNA)
where:
Base-Base interactions energy: -188.249
where: short stacking energy: -86.140
Base-Backbone interact. energy: -0.126
local terms energy: -96.762294
where:
bonds (distance) C4'-P energy: -21.588
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -13.492
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: 9
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -277.568312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.568312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.568312 (E_RNA)
where:
Base-Base interactions energy: -190.302
where: short stacking energy: -67.595
Base-Backbone interact. energy: -0.635
local terms energy: -86.631844
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -14.960
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: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -266.286701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.286701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.286701 (E_RNA)
where:
Base-Base interactions energy: -177.373
where: short stacking energy: -79.198
Base-Backbone interact. energy: -0.477
local terms energy: -88.437664
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -18.225
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -18.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -264.645557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.645557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.645557 (E_RNA)
where:
Base-Base interactions energy: -176.584
where: short stacking energy: -81.653
Base-Backbone interact. energy: -0.563
local terms energy: -87.498435
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -20.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -162.033087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.033087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.033087 (E_RNA)
where:
Base-Base interactions energy: -98.485
where: short stacking energy: -57.351
Base-Backbone interact. energy: -0.462
local terms energy: -63.086698
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -7.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -97.976668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.976668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.976668 (E_RNA)
where:
Base-Base interactions energy: -25.959
where: short stacking energy: -25.670
Base-Backbone interact. energy: -0.299
local terms energy: -71.718389
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -21.438
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -2.735
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: 10, replica: 5
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -100.640756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.640756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.640756 (E_RNA)
where:
Base-Base interactions energy: -38.314
where: short stacking energy: -38.314
Base-Backbone interact. energy: -0.036
local terms energy: -62.290986
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -8.252
tors. eta vs tors. theta energy: -10.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -310.735090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.735090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.735090 (E_RNA)
where:
Base-Base interactions energy: -214.219
where: short stacking energy: -87.235
Base-Backbone interact. energy: -0.597
local terms energy: -95.918994
where:
bonds (distance) C4'-P energy: -20.293
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -14.107
tors. eta vs tors. theta energy: -21.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -309.079344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.079344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.079344 (E_RNA)
where:
Base-Base interactions energy: -216.432
where: short stacking energy: -88.085
Base-Backbone interact. energy: -1.192
local terms energy: -91.454882
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -16.919
tors. eta vs tors. theta energy: -25.742
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: 3, replica: 4
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -303.313117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.313117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.313117 (E_RNA)
where:
Base-Base interactions energy: -208.803
where: short stacking energy: -99.574
Base-Backbone interact. energy: -0.014
local terms energy: -94.495812
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -21.061
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -24.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -285.440897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.440897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.440897 (E_RNA)
where:
Base-Base interactions energy: -185.564
where: short stacking energy: -95.795
Base-Backbone interact. energy: -0.329
local terms energy: -99.547415
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -27.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -278.586435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.586435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.586435 (E_RNA)
where:
Base-Base interactions energy: -194.303
where: short stacking energy: -68.654
Base-Backbone interact. energy: 0.948
local terms energy: -85.231972
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -15.606
tors. eta vs tors. theta energy: -14.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -259.637106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.637106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.637106 (E_RNA)
where:
Base-Base interactions energy: -170.067
where: short stacking energy: -81.953
Base-Backbone interact. energy: -0.095
local terms energy: -89.475872
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -17.433
tors. eta vs tors. theta energy: -23.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -254.455578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.455578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.455578 (E_RNA)
where:
Base-Base interactions energy: -162.924
where: short stacking energy: -71.778
Base-Backbone interact. energy: -0.745
local terms energy: -90.786759
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -21.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -151.810795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.810795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.810795 (E_RNA)
where:
Base-Base interactions energy: -95.785
where: short stacking energy: -53.761
Base-Backbone interact. energy: 0.493
local terms energy: -56.519024
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -18.176
flat angles C4'-P-C4' energy: -8.205
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -8.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -101.811984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.811984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.811984 (E_RNA)
where:
Base-Base interactions energy: -35.230
where: short stacking energy: -35.230
Base-Backbone interact. energy: -0.191
local terms energy: -66.390724
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -88.711508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.711508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.711508 (E_RNA)
where:
Base-Base interactions energy: -34.019
where: short stacking energy: -20.218
Base-Backbone interact. energy: -0.401
local terms energy: -54.292404
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -4.979
tors. eta vs tors. theta energy: 1.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -310.174917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.174917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.174917 (E_RNA)
where:
Base-Base interactions energy: -210.065
where: short stacking energy: -88.886
Base-Backbone interact. energy: -0.603
local terms energy: -99.506791
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -23.541
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -18.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -301.201260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.201260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.201260 (E_RNA)
where:
Base-Base interactions energy: -203.644
where: short stacking energy: -90.025
Base-Backbone interact. energy: -0.540
local terms energy: -97.018175
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -27.404
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: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -280.745650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.745650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.745650 (E_RNA)
where:
Base-Base interactions energy: -190.324
where: short stacking energy: -93.261
Base-Backbone interact. energy: -0.975
local terms energy: -89.446951
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -22.255
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -25.244
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: 343
Temperature: 1.050000
Total energy: -281.638761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.638761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.638761 (E_RNA)
where:
Base-Base interactions energy: -198.394
where: short stacking energy: -74.874
Base-Backbone interact. energy: -0.107
local terms energy: -83.138243
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -19.204
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -18.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -274.861472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.861472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.861472 (E_RNA)
where:
Base-Base interactions energy: -193.550
where: short stacking energy: -92.539
Base-Backbone interact. energy: -0.293
local terms energy: -81.018721
where:
bonds (distance) C4'-P energy: -18.432
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -6.210
tors. eta vs tors. theta energy: -21.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -263.534974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.534974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.534974 (E_RNA)
where:
Base-Base interactions energy: -170.508
where: short stacking energy: -77.214
Base-Backbone interact. energy: -0.094
local terms energy: -92.933296
where:
bonds (distance) C4'-P energy: -19.021
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -21.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -254.452722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.452722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.452722 (E_RNA)
where:
Base-Base interactions energy: -166.434
where: short stacking energy: -82.805
Base-Backbone interact. energy: -0.395
local terms energy: -87.623737
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -16.730
flat angles P-C4'-P energy: -15.871
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -171.412968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.412968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.412968 (E_RNA)
where:
Base-Base interactions energy: -99.878
where: short stacking energy: -60.889
Base-Backbone interact. energy: -0.164
local terms energy: -71.371161
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -16.212
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: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -99.574486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.574486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.574486 (E_RNA)
where:
Base-Base interactions energy: -41.719
where: short stacking energy: -35.659
Base-Backbone interact. energy: -0.098
local terms energy: -57.756778
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -3.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -103.491576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.491576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.491576 (E_RNA)
where:
Base-Base interactions energy: -43.420
where: short stacking energy: -29.010
Base-Backbone interact. energy: -0.087
local terms energy: -59.984757
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -0.924
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: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -310.120643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.120643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.120643 (E_RNA)
where:
Base-Base interactions energy: -213.664
where: short stacking energy: -90.683
Base-Backbone interact. energy: -1.831
local terms energy: -94.625956
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -22.349
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -21.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -298.305120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.305120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.305120 (E_RNA)
where:
Base-Base interactions energy: -208.849
where: short stacking energy: -94.648
Base-Backbone interact. energy: -0.292
local terms energy: -89.163512
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -23.966
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: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -288.505507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.505507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.505507 (E_RNA)
where:
Base-Base interactions energy: -204.046
where: short stacking energy: -75.200
Base-Backbone interact. energy: -0.335
local terms energy: -84.124690
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -20.997
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -288.174151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.174151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.174151 (E_RNA)
where:
Base-Base interactions energy: -196.946
where: short stacking energy: -81.509
Base-Backbone interact. energy: -0.862
local terms energy: -90.366642
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -21.723
flat angles C4'-P-C4' energy: -23.505
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -20.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -269.297377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.297377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.297377 (E_RNA)
where:
Base-Base interactions energy: -174.839
where: short stacking energy: -87.866
Base-Backbone interact. energy: -0.087
local terms energy: -94.372336
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -22.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -251.896047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.896047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.896047 (E_RNA)
where:
Base-Base interactions energy: -165.772
where: short stacking energy: -82.014
Base-Backbone interact. energy: -0.169
local terms energy: -85.955049
where:
bonds (distance) C4'-P energy: -20.095
bonds (distance) P-C4' energy: -22.351
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -23.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -255.174330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.174330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.174330 (E_RNA)
where:
Base-Base interactions energy: -176.358
where: short stacking energy: -69.926
Base-Backbone interact. energy: -0.450
local terms energy: -78.366594
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -9.446
tors. eta vs tors. theta energy: -18.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -168.415021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.415021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.415021 (E_RNA)
where:
Base-Base interactions energy: -102.294
where: short stacking energy: -46.580
Base-Backbone interact. energy: 0.875
local terms energy: -66.996526
where:
bonds (distance) C4'-P energy: -12.617
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -93.123128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.123128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.123128 (E_RNA)
where:
Base-Base interactions energy: -46.744
where: short stacking energy: -30.459
Base-Backbone interact. energy: 2.715
local terms energy: -49.094104
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: 3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -97.063553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.063553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.063553 (E_RNA)
where:
Base-Base interactions energy: -32.631
where: short stacking energy: -30.368
Base-Backbone interact. energy: -0.093
local terms energy: -64.339305
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -8.354
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: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -301.166717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.166717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.166717 (E_RNA)
where:
Base-Base interactions energy: -208.596
where: short stacking energy: -84.422
Base-Backbone interact. energy: -1.611
local terms energy: -90.958877
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -14.771
tors. eta vs tors. theta energy: -20.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -299.683227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.683227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.683227 (E_RNA)
where:
Base-Base interactions energy: -211.634
where: short stacking energy: -71.359
Base-Backbone interact. energy: -0.249
local terms energy: -87.799602
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -15.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -294.317122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.317122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.317122 (E_RNA)
where:
Base-Base interactions energy: -201.371
where: short stacking energy: -93.335
Base-Backbone interact. energy: -0.414
local terms energy: -92.531693
where:
bonds (distance) C4'-P energy: -16.050
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -24.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -277.822943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.822943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.822943 (E_RNA)
where:
Base-Base interactions energy: -179.013
where: short stacking energy: -88.277
Base-Backbone interact. energy: -0.026
local terms energy: -98.784521
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -14.839
tors. eta vs tors. theta energy: -25.663
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: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -282.996935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.996935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.996935 (E_RNA)
where:
Base-Base interactions energy: -205.404
where: short stacking energy: -90.179
Base-Backbone interact. energy: -0.160
local terms energy: -77.433145
where:
bonds (distance) C4'-P energy: -8.416
bonds (distance) P-C4' energy: -18.800
flat angles C4'-P-C4' energy: -21.017
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: -23.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -251.233022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.233022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.233022 (E_RNA)
where:
Base-Base interactions energy: -158.414
where: short stacking energy: -73.608
Base-Backbone interact. energy: -0.019
local terms energy: -92.799691
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -20.556
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: 6
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -253.257465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.257465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.257465 (E_RNA)
where:
Base-Base interactions energy: -161.599
where: short stacking energy: -80.119
Base-Backbone interact. energy: -0.055
local terms energy: -91.603887
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -23.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -166.784134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.784134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.784134 (E_RNA)
where:
Base-Base interactions energy: -100.511
where: short stacking energy: -55.465
Base-Backbone interact. energy: -0.123
local terms energy: -66.150444
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -5.325
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: 5
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -93.004178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.004178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.004178 (E_RNA)
where:
Base-Base interactions energy: -28.805
where: short stacking energy: -28.805
Base-Backbone interact. energy: -0.013
local terms energy: -64.185866
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -19.874
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -2.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -120.978052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.978052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.978052 (E_RNA)
where:
Base-Base interactions energy: -64.472
where: short stacking energy: -37.640
Base-Backbone interact. energy: -0.146
local terms energy: -56.360005
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -13.028
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -303.843231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.843231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.843231 (E_RNA)
where:
Base-Base interactions energy: -221.550
where: short stacking energy: -82.163
Base-Backbone interact. energy: -0.357
local terms energy: -81.936124
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -303.667976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.667976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.667976 (E_RNA)
where:
Base-Base interactions energy: -207.487
where: short stacking energy: -80.731
Base-Backbone interact. energy: -0.202
local terms energy: -95.978693
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -22.285
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -296.413125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.413125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.413125 (E_RNA)
where:
Base-Base interactions energy: -207.290
where: short stacking energy: -84.722
Base-Backbone interact. energy: -0.543
local terms energy: -88.580300
where:
bonds (distance) C4'-P energy: -10.850
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -15.604
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -284.893460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.893460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.893460 (E_RNA)
where:
Base-Base interactions energy: -189.860
where: short stacking energy: -95.661
Base-Backbone interact. energy: -0.029
local terms energy: -95.004807
where:
bonds (distance) C4'-P energy: -20.388
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -28.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -287.422713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.422713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.422713 (E_RNA)
where:
Base-Base interactions energy: -187.425
where: short stacking energy: -91.270
Base-Backbone interact. energy: -1.834
local terms energy: -98.162953
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -17.108
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -14.754
tors. eta vs tors. theta energy: -29.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -272.712912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.712912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.712912 (E_RNA)
where:
Base-Base interactions energy: -179.765
where: short stacking energy: -87.835
Base-Backbone interact. energy: -1.181
local terms energy: -91.766941
where:
bonds (distance) C4'-P energy: -16.331
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -13.875
tors. eta vs tors. theta energy: -25.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -268.788884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.788884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.788884 (E_RNA)
where:
Base-Base interactions energy: -173.971
where: short stacking energy: -81.197
Base-Backbone interact. energy: -0.162
local terms energy: -94.655661
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -20.803
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -23.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -159.394735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.394735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.394735 (E_RNA)
where:
Base-Base interactions energy: -90.666
where: short stacking energy: -45.863
Base-Backbone interact. energy: 2.233
local terms energy: -70.961989
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -101.990822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.990822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.990822 (E_RNA)
where:
Base-Base interactions energy: -33.165
where: short stacking energy: -33.165
Base-Backbone interact. energy: 1.192
local terms energy: -70.017458
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -20.607
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: 1.161
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: 5
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -110.738540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.738540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.738540 (E_RNA)
where:
Base-Base interactions energy: -44.021
where: short stacking energy: -44.021
Base-Backbone interact. energy: -0.676
local terms energy: -66.041682
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -10.398
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: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -304.241490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.241490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.241490 (E_RNA)
where:
Base-Base interactions energy: -210.747
where: short stacking energy: -76.268
Base-Backbone interact. energy: -0.466
local terms energy: -93.027907
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -20.701
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -15.655
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: 2, replica: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -311.351157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.351157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.351157 (E_RNA)
where:
Base-Base interactions energy: -212.254
where: short stacking energy: -91.206
Base-Backbone interact. energy: -0.007
local terms energy: -99.089591
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -20.770
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -24.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -305.821388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.821388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.821388 (E_RNA)
where:
Base-Base interactions energy: -209.743
where: short stacking energy: -84.944
Base-Backbone interact. energy: -0.621
local terms energy: -95.457708
where:
bonds (distance) C4'-P energy: -22.525
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -13.723
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: 4, replica: 4
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -283.661572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.661572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.661572 (E_RNA)
where:
Base-Base interactions energy: -194.002
where: short stacking energy: -91.381
Base-Backbone interact. energy: -0.000
local terms energy: -89.659239
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -14.117
tors. eta vs tors. theta energy: -26.515
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: 10
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -273.468974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.468974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.468974 (E_RNA)
where:
Base-Base interactions energy: -178.792
where: short stacking energy: -83.673
Base-Backbone interact. energy: -0.740
local terms energy: -93.937091
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -19.333
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -26.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -273.201118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.201118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.201118 (E_RNA)
where:
Base-Base interactions energy: -190.143
where: short stacking energy: -89.283
Base-Backbone interact. energy: -1.248
local terms energy: -81.809994
where:
bonds (distance) C4'-P energy: -19.255
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -22.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -266.834752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.834752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.834752 (E_RNA)
where:
Base-Base interactions energy: -171.201
where: short stacking energy: -88.066
Base-Backbone interact. energy: -0.153
local terms energy: -95.480538
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -27.798
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: 8, replica: 1
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -99.905806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.905806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.905806 (E_RNA)
where:
Base-Base interactions energy: -38.787
where: short stacking energy: -34.450
Base-Backbone interact. energy: -0.346
local terms energy: -60.772425
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -18.440
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -131.375249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.375249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.375249 (E_RNA)
where:
Base-Base interactions energy: -63.811
where: short stacking energy: -37.379
Base-Backbone interact. energy: -0.077
local terms energy: -67.487475
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -10.259
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: 10, replica: 5
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -89.052144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.052144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.052144 (E_RNA)
where:
Base-Base interactions energy: -37.918
where: short stacking energy: -29.751
Base-Backbone interact. energy: -0.486
local terms energy: -50.648806
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -10.573
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -311.617976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.617976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.617976 (E_RNA)
where:
Base-Base interactions energy: -208.401
where: short stacking energy: -89.750
Base-Backbone interact. energy: -0.382
local terms energy: -102.835026
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -22.020
flat angles P-C4'-P energy: -11.939
tors. eta vs tors. theta energy: -25.811
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: 9
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -304.872289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.872289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.872289 (E_RNA)
where:
Base-Base interactions energy: -207.604
where: short stacking energy: -80.086
Base-Backbone interact. energy: -0.511
local terms energy: -96.757282
where:
bonds (distance) C4'-P energy: -20.967
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -18.771
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: 4
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -306.157045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.157045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.157045 (E_RNA)
where:
Base-Base interactions energy: -204.979
where: short stacking energy: -81.988
Base-Backbone interact. energy: -0.120
local terms energy: -101.057602
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -22.376
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -23.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -286.335722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.335722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.335722 (E_RNA)
where:
Base-Base interactions energy: -202.067
where: short stacking energy: -83.319
Base-Backbone interact. energy: -0.290
local terms energy: -83.978953
where:
bonds (distance) C4'-P energy: -18.192
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -21.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -276.269413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.269413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.269413 (E_RNA)
where:
Base-Base interactions energy: -181.562
where: short stacking energy: -92.687
Base-Backbone interact. energy: 0.039
local terms energy: -94.745809
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -21.972
flat angles P-C4'-P energy: -15.087
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: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -260.678507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.678507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.678507 (E_RNA)
where:
Base-Base interactions energy: -171.929
where: short stacking energy: -75.324
Base-Backbone interact. energy: -0.201
local terms energy: -88.547820
where:
bonds (distance) C4'-P energy: -17.665
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -15.696
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: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -260.178430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.178430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.178430 (E_RNA)
where:
Base-Base interactions energy: -176.722
where: short stacking energy: -84.377
Base-Backbone interact. energy: 0.443
local terms energy: -83.899837
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -13.690
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -27.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -128.000133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.000133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.000133 (E_RNA)
where:
Base-Base interactions energy: -65.107
where: short stacking energy: -37.074
Base-Backbone interact. energy: -0.083
local terms energy: -62.810469
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -21.677
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -2.261
tors. eta vs tors. theta energy: -8.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -104.395426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.395426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.395426 (E_RNA)
where:
Base-Base interactions energy: -40.591
where: short stacking energy: -40.591
Base-Backbone interact. energy: -0.101
local terms energy: -63.703996
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -1.429
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: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -129.453160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.453160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.453160 (E_RNA)
where:
Base-Base interactions energy: -76.241
where: short stacking energy: -41.331
Base-Backbone interact. energy: -0.346
local terms energy: -52.865961
where:
bonds (distance) C4'-P energy: -13.771
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -5.082
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -304.200203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.200203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.200203 (E_RNA)
where:
Base-Base interactions energy: -214.775
where: short stacking energy: -92.549
Base-Backbone interact. energy: -0.030
local terms energy: -89.395716
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -22.038
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -26.092
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: 349
Temperature: 0.950000
Total energy: -297.350062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.350062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.350062 (E_RNA)
where:
Base-Base interactions energy: -205.087
where: short stacking energy: -85.846
Base-Backbone interact. energy: -0.496
local terms energy: -91.767288
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -23.325
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -21.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -302.294592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.294592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.294592 (E_RNA)
where:
Base-Base interactions energy: -215.463
where: short stacking energy: -81.102
Base-Backbone interact. energy: -0.541
local terms energy: -86.290374
where:
bonds (distance) C4'-P energy: -17.312
bonds (distance) P-C4' energy: -19.554
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -282.005241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.005241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.005241 (E_RNA)
where:
Base-Base interactions energy: -184.994
where: short stacking energy: -96.621
Base-Backbone interact. energy: -0.307
local terms energy: -96.704169
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -21.741
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -31.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -285.021205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.021205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.021205 (E_RNA)
where:
Base-Base interactions energy: -199.237
where: short stacking energy: -72.286
Base-Backbone interact. energy: -1.081
local terms energy: -84.703338
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -13.597
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: 6, replica: 2
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -270.511321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.511321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.511321 (E_RNA)
where:
Base-Base interactions energy: -191.585
where: short stacking energy: -81.164
Base-Backbone interact. energy: 0.320
local terms energy: -79.245668
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -260.455445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.455445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.455445 (E_RNA)
where:
Base-Base interactions energy: -182.618
where: short stacking energy: -85.232
Base-Backbone interact. energy: -1.416
local terms energy: -76.420699
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -122.648107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.648107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.648107 (E_RNA)
where:
Base-Base interactions energy: -57.616
where: short stacking energy: -42.446
Base-Backbone interact. energy: -1.029
local terms energy: -64.002405
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -12.837
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -100.736568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.736568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.736568 (E_RNA)
where:
Base-Base interactions energy: -54.143
where: short stacking energy: -38.031
Base-Backbone interact. energy: 0.248
local terms energy: -46.842490
where:
bonds (distance) C4'-P energy: -9.852
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -1.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -115.054741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.054741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.054741 (E_RNA)
where:
Base-Base interactions energy: -51.328
where: short stacking energy: -50.588
Base-Backbone interact. energy: -0.133
local terms energy: -63.593466
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -3.803
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: 1, replica: 8
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -311.344535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.344535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.344535 (E_RNA)
where:
Base-Base interactions energy: -212.402
where: short stacking energy: -95.525
Base-Backbone interact. energy: -0.093
local terms energy: -98.849381
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -20.294
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -27.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -300.930603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.930603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.930603 (E_RNA)
where:
Base-Base interactions energy: -202.295
where: short stacking energy: -87.348
Base-Backbone interact. energy: -0.131
local terms energy: -98.504965
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -21.700
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -23.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -291.150054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.150054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.150054 (E_RNA)
where:
Base-Base interactions energy: -191.330
where: short stacking energy: -87.809
Base-Backbone interact. energy: -0.361
local terms energy: -99.458720
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -28.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -298.084967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.084967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.084967 (E_RNA)
where:
Base-Base interactions energy: -204.502
where: short stacking energy: -83.550
Base-Backbone interact. energy: -1.021
local terms energy: -92.562441
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -20.370
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -13.890
tors. eta vs tors. theta energy: -20.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -284.696260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.696260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.696260 (E_RNA)
where:
Base-Base interactions energy: -209.477
where: short stacking energy: -75.712
Base-Backbone interact. energy: -0.229
local terms energy: -74.990272
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -271.560224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.560224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.560224 (E_RNA)
where:
Base-Base interactions energy: -177.909
where: short stacking energy: -88.727
Base-Backbone interact. energy: -0.015
local terms energy: -93.636068
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -249.039334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.039334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.039334 (E_RNA)
where:
Base-Base interactions energy: -162.989
where: short stacking energy: -75.964
Base-Backbone interact. energy: -0.090
local terms energy: -85.960035
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -21.027
flat angles P-C4'-P energy: -14.489
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: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -109.429909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.429909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.429909 (E_RNA)
where:
Base-Base interactions energy: -44.041
where: short stacking energy: -34.285
Base-Backbone interact. energy: -0.390
local terms energy: -64.999191
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -4.119
tors. eta vs tors. theta energy: -7.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -97.988416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.988416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.988416 (E_RNA)
where:
Base-Base interactions energy: -60.138
where: short stacking energy: -32.797
Base-Backbone interact. energy: 0.118
local terms energy: -37.968907
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -8.508
flat angles C4'-P-C4' energy: -11.848
flat angles P-C4'-P energy: -7.545
tors. eta vs tors. theta energy: 4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -92.212816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.212816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.212816 (E_RNA)
where:
Base-Base interactions energy: -35.510
where: short stacking energy: -31.084
Base-Backbone interact. energy: -0.279
local terms energy: -56.424366
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -11.155
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -304.892953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.892953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.892953 (E_RNA)
where:
Base-Base interactions energy: -203.303
where: short stacking energy: -97.018
Base-Backbone interact. energy: -0.292
local terms energy: -101.298220
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -21.217
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -28.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -281.685955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.685955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.685955 (E_RNA)
where:
Base-Base interactions energy: -186.828
where: short stacking energy: -93.128
Base-Backbone interact. energy: -0.013
local terms energy: -94.845608
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -20.988
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -24.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -296.525456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.525456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.525456 (E_RNA)
where:
Base-Base interactions energy: -197.541
where: short stacking energy: -91.878
Base-Backbone interact. energy: -0.016
local terms energy: -98.968287
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -22.728
flat angles P-C4'-P energy: -10.776
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: 4, replica: 9
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -299.694889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.694889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.694889 (E_RNA)
where:
Base-Base interactions energy: -210.363
where: short stacking energy: -84.857
Base-Backbone interact. energy: -0.389
local terms energy: -88.943311
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -19.756
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -20.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -275.961274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.961274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.961274 (E_RNA)
where:
Base-Base interactions energy: -194.439
where: short stacking energy: -80.210
Base-Backbone interact. energy: -0.308
local terms energy: -81.214372
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -19.239
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: 6
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -264.321776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.321776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.321776 (E_RNA)
where:
Base-Base interactions energy: -177.607
where: short stacking energy: -78.042
Base-Backbone interact. energy: -0.357
local terms energy: -86.357701
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -15.102
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -260.014969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.014969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.014969 (E_RNA)
where:
Base-Base interactions energy: -171.035
where: short stacking energy: -85.723
Base-Backbone interact. energy: -0.018
local terms energy: -88.962632
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -23.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -103.223306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.223306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.223306 (E_RNA)
where:
Base-Base interactions energy: -49.695
where: short stacking energy: -46.031
Base-Backbone interact. energy: -0.124
local terms energy: -53.403871
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -5.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -92.682033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.682033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.682033 (E_RNA)
where:
Base-Base interactions energy: -30.918
where: short stacking energy: -30.918
Base-Backbone interact. energy: -0.174
local terms energy: -61.589989
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -4.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -117.148567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.148567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.148567 (E_RNA)
where:
Base-Base interactions energy: -64.721
where: short stacking energy: -32.473
Base-Backbone interact. energy: -0.452
local terms energy: -51.974937
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -14.650
flat angles C4'-P-C4' energy: -11.736
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: 1.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -305.242791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.242791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.242791 (E_RNA)
where:
Base-Base interactions energy: -204.498
where: short stacking energy: -95.433
Base-Backbone interact. energy: -2.851
local terms energy: -97.894042
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -21.561
flat angles P-C4'-P energy: -14.790
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: 2, replica: 10
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -284.977752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.977752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.977752 (E_RNA)
where:
Base-Base interactions energy: -187.866
where: short stacking energy: -95.338
Base-Backbone interact. energy: 1.314
local terms energy: -98.425798
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -17.730
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -27.023
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: 9
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -300.413920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.413920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.413920 (E_RNA)
where:
Base-Base interactions energy: -205.474
where: short stacking energy: -79.427
Base-Backbone interact. energy: -0.002
local terms energy: -94.937452
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -23.572
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -22.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -281.516974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.516974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.516974 (E_RNA)
where:
Base-Base interactions energy: -193.094
where: short stacking energy: -86.403
Base-Backbone interact. energy: -0.011
local terms energy: -88.411911
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -19.984
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -22.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -275.109463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.109463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.109463 (E_RNA)
where:
Base-Base interactions energy: -177.857
where: short stacking energy: -76.895
Base-Backbone interact. energy: -0.043
local terms energy: -97.209603
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -21.230
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -25.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -286.669064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.669064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.669064 (E_RNA)
where:
Base-Base interactions energy: -205.079
where: short stacking energy: -72.657
Base-Backbone interact. energy: -1.376
local terms energy: -80.213206
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -16.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -259.501992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.501992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.501992 (E_RNA)
where:
Base-Base interactions energy: -176.366
where: short stacking energy: -85.930
Base-Backbone interact. energy: -0.077
local terms energy: -83.059325
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -12.237
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: 8, replica: 3
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -112.119617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.119617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.119617 (E_RNA)
where:
Base-Base interactions energy: -45.464
where: short stacking energy: -40.463
Base-Backbone interact. energy: -0.776
local terms energy: -65.880070
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -9.642
flat angles P-C4'-P energy: -11.461
tors. eta vs tors. theta energy: -7.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -97.695445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.695445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.695445 (E_RNA)
where:
Base-Base interactions energy: -39.486
where: short stacking energy: -25.242
Base-Backbone interact. energy: 1.115
local terms energy: -59.324391
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -9.922
tors. eta vs tors. theta energy: -2.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -94.828260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.828260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.828260 (E_RNA)
where:
Base-Base interactions energy: -30.203
where: short stacking energy: -24.530
Base-Backbone interact. energy: -1.081
local terms energy: -63.544386
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -8.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -304.271072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.271072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.271072 (E_RNA)
where:
Base-Base interactions energy: -216.132
where: short stacking energy: -97.288
Base-Backbone interact. energy: 1.498
local terms energy: -89.636980
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -24.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -298.031785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.031785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.031785 (E_RNA)
where:
Base-Base interactions energy: -200.996
where: short stacking energy: -93.384
Base-Backbone interact. energy: -0.013
local terms energy: -97.023158
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -27.132
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: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -297.816621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.816621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.816621 (E_RNA)
where:
Base-Base interactions energy: -206.781
where: short stacking energy: -81.999
Base-Backbone interact. energy: -0.255
local terms energy: -90.780866
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -20.943
flat angles C4'-P-C4' energy: -19.662
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: -17.662
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: 4
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -282.080177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.080177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.080177 (E_RNA)
where:
Base-Base interactions energy: -183.812
where: short stacking energy: -94.863
Base-Backbone interact. energy: -0.017
local terms energy: -98.252016
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -27.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -275.645839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.645839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.645839 (E_RNA)
where:
Base-Base interactions energy: -188.354
where: short stacking energy: -83.900
Base-Backbone interact. energy: -0.423
local terms energy: -86.868590
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -14.735
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -280.787694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.787694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.787694 (E_RNA)
where:
Base-Base interactions energy: -202.862
where: short stacking energy: -75.062
Base-Backbone interact. energy: -0.301
local terms energy: -77.624342
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -14.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -265.692631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.692631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.692631 (E_RNA)
where:
Base-Base interactions energy: -176.133
where: short stacking energy: -80.047
Base-Backbone interact. energy: -0.001
local terms energy: -89.559229
where:
bonds (distance) C4'-P energy: -19.268
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -9.905
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -112.860996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.860996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.860996 (E_RNA)
where:
Base-Base interactions energy: -47.503
where: short stacking energy: -31.850
Base-Backbone interact. energy: -0.151
local terms energy: -65.206965
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -12.007
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -7.060
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: 3
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -103.992385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.992385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.992385 (E_RNA)
where:
Base-Base interactions energy: -34.853
where: short stacking energy: -30.035
Base-Backbone interact. energy: -0.283
local terms energy: -68.856512
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -115.419993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.419993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.419993 (E_RNA)
where:
Base-Base interactions energy: -46.254
where: short stacking energy: -42.072
Base-Backbone interact. energy: -0.215
local terms energy: -68.950610
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -11.011
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -8.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -310.115370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.115370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.115370 (E_RNA)
where:
Base-Base interactions energy: -204.276
where: short stacking energy: -93.533
Base-Backbone interact. energy: -2.703
local terms energy: -103.136252
where:
bonds (distance) C4'-P energy: -19.940
bonds (distance) P-C4' energy: -21.190
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -27.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -302.134241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.134241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.134241 (E_RNA)
where:
Base-Base interactions energy: -214.209
where: short stacking energy: -90.191
Base-Backbone interact. energy: -0.241
local terms energy: -87.684562
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -20.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -300.273511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.273511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.273511 (E_RNA)
where:
Base-Base interactions energy: -213.439
where: short stacking energy: -78.938
Base-Backbone interact. energy: -0.953
local terms energy: -85.881507
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -20.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -269.573249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.573249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.573249 (E_RNA)
where:
Base-Base interactions energy: -173.720
where: short stacking energy: -79.572
Base-Backbone interact. energy: -1.512
local terms energy: -94.340470
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -21.038
flat angles P-C4'-P energy: -13.287
tors. eta vs tors. theta energy: -22.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -299.545556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.545556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.545556 (E_RNA)
where:
Base-Base interactions energy: -202.335
where: short stacking energy: -79.239
Base-Backbone interact. energy: -1.416
local terms energy: -95.794175
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -16.915
tors. eta vs tors. theta energy: -16.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -263.917683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.917683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.917683 (E_RNA)
where:
Base-Base interactions energy: -185.084
where: short stacking energy: -84.990
Base-Backbone interact. energy: -0.018
local terms energy: -78.815486
where:
bonds (distance) C4'-P energy: -17.406
bonds (distance) P-C4' energy: -9.393
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -7.757
tors. eta vs tors. theta energy: -23.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -255.546141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.546141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.546141 (E_RNA)
where:
Base-Base interactions energy: -181.220
where: short stacking energy: -85.362
Base-Backbone interact. energy: -0.361
local terms energy: -73.964990
where:
bonds (distance) C4'-P energy: -11.877
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -120.408758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.408758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.408758 (E_RNA)
where:
Base-Base interactions energy: -49.937
where: short stacking energy: -46.348
Base-Backbone interact. energy: -1.149
local terms energy: -69.322877
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -9.233
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: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -105.352917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.352917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.352917 (E_RNA)
where:
Base-Base interactions energy: -38.510
where: short stacking energy: -38.510
Base-Backbone interact. energy: -0.029
local terms energy: -66.814091
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -9.110
tors. eta vs tors. theta energy: -9.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -93.703645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.703645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.703645 (E_RNA)
where:
Base-Base interactions energy: -34.582
where: short stacking energy: -33.004
Base-Backbone interact. energy: 0.404
local terms energy: -59.525524
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -2.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -305.826538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.826538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.826538 (E_RNA)
where:
Base-Base interactions energy: -205.020
where: short stacking energy: -92.122
Base-Backbone interact. energy: -0.062
local terms energy: -100.744601
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -27.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -297.241628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.241628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.241628 (E_RNA)
where:
Base-Base interactions energy: -214.057
where: short stacking energy: -81.481
Base-Backbone interact. energy: -1.066
local terms energy: -82.119137
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -18.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -294.666868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.666868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.666868 (E_RNA)
where:
Base-Base interactions energy: -198.720
where: short stacking energy: -97.156
Base-Backbone interact. energy: -0.011
local terms energy: -95.935484
where:
bonds (distance) C4'-P energy: -17.658
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -26.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -298.120994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.120994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.120994 (E_RNA)
where:
Base-Base interactions energy: -208.871
where: short stacking energy: -86.394
Base-Backbone interact. energy: -0.207
local terms energy: -89.042763
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -18.882
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -285.764235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.764235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.764235 (E_RNA)
where:
Base-Base interactions energy: -188.897
where: short stacking energy: -93.353
Base-Backbone interact. energy: 0.664
local terms energy: -97.531233
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -29.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -269.384423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.384423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.384423 (E_RNA)
where:
Base-Base interactions energy: -183.503
where: short stacking energy: -86.400
Base-Backbone interact. energy: -1.161
local terms energy: -84.721222
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -8.419
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: 7, replica: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -251.721154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.721154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.721154 (E_RNA)
where:
Base-Base interactions energy: -172.518
where: short stacking energy: -76.691
Base-Backbone interact. energy: -0.442
local terms energy: -78.761315
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -5.810
tors. eta vs tors. theta energy: -21.993
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: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -106.132317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.132317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.132317 (E_RNA)
where:
Base-Base interactions energy: -44.633
where: short stacking energy: -41.271
Base-Backbone interact. energy: -0.125
local terms energy: -61.374117
where:
bonds (distance) C4'-P energy: -19.787
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -1.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -112.712277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.712277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.712277 (E_RNA)
where:
Base-Base interactions energy: -48.657
where: short stacking energy: -36.248
Base-Backbone interact. energy: -0.976
local terms energy: -63.079827
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -9.386
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -91.653156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.653156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.653156 (E_RNA)
where:
Base-Base interactions energy: -26.193
where: short stacking energy: -26.193
Base-Backbone interact. energy: 0.300
local terms energy: -65.759823
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -13.358
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: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -303.944638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.944638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.944638 (E_RNA)
where:
Base-Base interactions energy: -220.088
where: short stacking energy: -87.914
Base-Backbone interact. energy: -0.118
local terms energy: -83.738503
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -19.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -307.289723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.289723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.289723 (E_RNA)
where:
Base-Base interactions energy: -207.375
where: short stacking energy: -89.432
Base-Backbone interact. energy: -0.103
local terms energy: -99.811402
where:
bonds (distance) C4'-P energy: -20.304
bonds (distance) P-C4' energy: -19.692
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -16.183
tors. eta vs tors. theta energy: -21.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -291.085367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.085367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.085367 (E_RNA)
where:
Base-Base interactions energy: -204.195
where: short stacking energy: -85.880
Base-Backbone interact. energy: -0.188
local terms energy: -86.702534
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -21.468
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -16.225
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: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -284.547142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.547142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.547142 (E_RNA)
where:
Base-Base interactions energy: -193.180
where: short stacking energy: -96.726
Base-Backbone interact. energy: -0.008
local terms energy: -91.359260
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -26.558
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: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -282.613564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.613564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.613564 (E_RNA)
where:
Base-Base interactions energy: -188.884
where: short stacking energy: -89.942
Base-Backbone interact. energy: -0.032
local terms energy: -93.697360
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -25.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -280.889926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.889926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.889926 (E_RNA)
where:
Base-Base interactions energy: -189.536
where: short stacking energy: -84.016
Base-Backbone interact. energy: -0.004
local terms energy: -91.349428
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -14.173
flat angles C4'-P-C4' energy: -20.067
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -26.190
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: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -249.025577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.025577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.025577 (E_RNA)
where:
Base-Base interactions energy: -171.325
where: short stacking energy: -81.523
Base-Backbone interact. energy: -0.427
local terms energy: -77.273977
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -10.872
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: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -101.466675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.466675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.466675 (E_RNA)
where:
Base-Base interactions energy: -30.863
where: short stacking energy: -30.063
Base-Backbone interact. energy: -0.757
local terms energy: -69.846596
where:
bonds (distance) C4'-P energy: -21.087
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -20.199
flat angles P-C4'-P energy: -10.635
tors. eta vs tors. theta energy: -4.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -99.670783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.670783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.670783 (E_RNA)
where:
Base-Base interactions energy: -34.467
where: short stacking energy: -30.127
Base-Backbone interact. energy: 2.615
local terms energy: -67.819045
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -1.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -103.158073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.158073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.158073 (E_RNA)
where:
Base-Base interactions energy: -37.660
where: short stacking energy: -32.411
Base-Backbone interact. energy: 0.846
local terms energy: -66.343497
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -0.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -314.027306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.027306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.027306 (E_RNA)
where:
Base-Base interactions energy: -215.570
where: short stacking energy: -85.387
Base-Backbone interact. energy: -0.923
local terms energy: -97.534566
where:
bonds (distance) C4'-P energy: -20.176
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -23.949
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -17.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -295.728362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.728362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.728362 (E_RNA)
where:
Base-Base interactions energy: -200.542
where: short stacking energy: -79.140
Base-Backbone interact. energy: -0.062
local terms energy: -95.125124
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -20.870
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -17.901
tors. eta vs tors. theta energy: -21.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -295.854591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.854591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.854591 (E_RNA)
where:
Base-Base interactions energy: -195.296
where: short stacking energy: -95.952
Base-Backbone interact. energy: -0.667
local terms energy: -99.891798
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -17.640
tors. eta vs tors. theta energy: -29.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -269.000928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.000928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.000928 (E_RNA)
where:
Base-Base interactions energy: -174.314
where: short stacking energy: -82.871
Base-Backbone interact. energy: -0.364
local terms energy: -94.322568
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -21.741
flat angles C4'-P-C4' energy: -19.332
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -26.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -279.834269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.834269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.834269 (E_RNA)
where:
Base-Base interactions energy: -185.933
where: short stacking energy: -84.332
Base-Backbone interact. energy: -0.006
local terms energy: -93.894794
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -27.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -259.973660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.973660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.973660 (E_RNA)
where:
Base-Base interactions energy: -173.043
where: short stacking energy: -72.277
Base-Backbone interact. energy: -0.616
local terms energy: -86.314892
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -20.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -269.032639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.032639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.032639 (E_RNA)
where:
Base-Base interactions energy: -187.882
where: short stacking energy: -80.257
Base-Backbone interact. energy: -0.157
local terms energy: -80.993335
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -20.282
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -17.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -109.021689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.021689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.021689 (E_RNA)
where:
Base-Base interactions energy: -39.487
where: short stacking energy: -29.384
Base-Backbone interact. energy: 0.238
local terms energy: -69.772489
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -3.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -104.800108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.800108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.800108 (E_RNA)
where:
Base-Base interactions energy: -40.792
where: short stacking energy: -36.861
Base-Backbone interact. energy: -0.250
local terms energy: -63.758413
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -13.058
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -3.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -97.965560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.965560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.965560 (E_RNA)
where:
Base-Base interactions energy: -38.576
where: short stacking energy: -36.764
Base-Backbone interact. energy: -0.225
local terms energy: -59.165516
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -13.408
flat angles P-C4'-P energy: -13.798
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: 9
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -306.551792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.551792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.551792 (E_RNA)
where:
Base-Base interactions energy: -210.881
where: short stacking energy: -85.968
Base-Backbone interact. energy: -1.052
local terms energy: -94.617980
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -21.644
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -16.204
tors. eta vs tors. theta energy: -18.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -307.032493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.032493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.032493 (E_RNA)
where:
Base-Base interactions energy: -209.155
where: short stacking energy: -86.961
Base-Backbone interact. energy: -0.836
local terms energy: -97.042238
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -20.199
flat angles C4'-P-C4' energy: -22.022
flat angles P-C4'-P energy: -17.651
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: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -300.434934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.434934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.434934 (E_RNA)
where:
Base-Base interactions energy: -201.653
where: short stacking energy: -84.980
Base-Backbone interact. energy: -1.352
local terms energy: -97.429661
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -18.884
flat angles C4'-P-C4' energy: -19.932
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -26.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -273.773901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.773901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.773901 (E_RNA)
where:
Base-Base interactions energy: -186.020
where: short stacking energy: -82.516
Base-Backbone interact. energy: -0.479
local terms energy: -87.274775
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -17.574
flat angles C4'-P-C4' energy: -20.692
flat angles P-C4'-P energy: -9.751
tors. eta vs tors. theta energy: -21.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -278.597329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.597329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.597329 (E_RNA)
where:
Base-Base interactions energy: -187.179
where: short stacking energy: -80.196
Base-Backbone interact. energy: -0.001
local terms energy: -91.416931
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -18.071
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -16.019
tors. eta vs tors. theta energy: -22.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -235.336008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.336008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.336008 (E_RNA)
where:
Base-Base interactions energy: -150.216
where: short stacking energy: -70.322
Base-Backbone interact. energy: -0.111
local terms energy: -85.008742
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -15.610
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: 7, replica: 4
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -260.308646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.308646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.308646 (E_RNA)
where:
Base-Base interactions energy: -173.237
where: short stacking energy: -84.743
Base-Backbone interact. energy: -0.218
local terms energy: -86.853204
where:
bonds (distance) C4'-P energy: -15.428
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -22.311
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -23.006
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: 3
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -114.982555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.982555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.982555 (E_RNA)
where:
Base-Base interactions energy: -40.829
where: short stacking energy: -40.829
Base-Backbone interact. energy: -0.090
local terms energy: -74.064280
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -19.140
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -10.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -103.884235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.884235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.884235 (E_RNA)
where:
Base-Base interactions energy: -44.414
where: short stacking energy: -44.414
Base-Backbone interact. energy: -0.012
local terms energy: -59.458372
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -8.851
tors. eta vs tors. theta energy: -8.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -93.488304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.488304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.488304 (E_RNA)
where:
Base-Base interactions energy: -31.526
where: short stacking energy: -19.127
Base-Backbone interact. energy: -1.180
local terms energy: -60.782107
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -22.318
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -8.411
tors. eta vs tors. theta energy: 2.128
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: 1, replica: 9
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -307.933696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.933696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.933696 (E_RNA)
where:
Base-Base interactions energy: -210.027
where: short stacking energy: -88.082
Base-Backbone interact. energy: -0.876
local terms energy: -97.030748
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -21.542
flat angles C4'-P-C4' energy: -21.584
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -20.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -306.834540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.834540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.834540 (E_RNA)
where:
Base-Base interactions energy: -215.323
where: short stacking energy: -95.073
Base-Backbone interact. energy: -0.139
local terms energy: -91.372611
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -23.437
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -21.451
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: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -293.952171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.952171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.952171 (E_RNA)
where:
Base-Base interactions energy: -207.512
where: short stacking energy: -85.572
Base-Backbone interact. energy: -0.303
local terms energy: -86.137391
where:
bonds (distance) C4'-P energy: -17.813
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -10.790
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -273.027734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.027734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.027734 (E_RNA)
where:
Base-Base interactions energy: -182.897
where: short stacking energy: -85.853
Base-Backbone interact. energy: -0.006
local terms energy: -90.124517
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -11.608
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: 10
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -279.459801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.459801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.459801 (E_RNA)
where:
Base-Base interactions energy: -186.287
where: short stacking energy: -97.949
Base-Backbone interact. energy: -1.075
local terms energy: -92.097604
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -12.738
tors. eta vs tors. theta energy: -27.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -256.175907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.175907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.175907 (E_RNA)
where:
Base-Base interactions energy: -166.677
where: short stacking energy: -76.266
Base-Backbone interact. energy: -0.265
local terms energy: -89.233491
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -20.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -286.057693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.057693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.057693 (E_RNA)
where:
Base-Base interactions energy: -186.072
where: short stacking energy: -98.063
Base-Backbone interact. energy: -0.295
local terms energy: -99.690837
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -15.294
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: 8, replica: 3
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -98.979574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.979574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.979574 (E_RNA)
where:
Base-Base interactions energy: -28.583
where: short stacking energy: -28.583
Base-Backbone interact. energy: -0.240
local terms energy: -70.155915
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: 1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -113.945765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.945765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.945765 (E_RNA)
where:
Base-Base interactions energy: -49.917
where: short stacking energy: -30.169
Base-Backbone interact. energy: -0.196
local terms energy: -63.832846
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -19.193
flat angles C4'-P-C4' energy: -12.771
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -5.966
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: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -85.224672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.224672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.224672 (E_RNA)
where:
Base-Base interactions energy: -25.749
where: short stacking energy: -25.707
Base-Backbone interact. energy: -0.378
local terms energy: -59.097302
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -13.654
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: 2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -308.825021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.825021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.825021 (E_RNA)
where:
Base-Base interactions energy: -216.556
where: short stacking energy: -84.749
Base-Backbone interact. energy: -0.306
local terms energy: -91.962944
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -16.955
tors. eta vs tors. theta energy: -18.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -304.131737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.131737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.131737 (E_RNA)
where:
Base-Base interactions energy: -207.884
where: short stacking energy: -89.014
Base-Backbone interact. energy: -1.362
local terms energy: -94.885189
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -23.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -288.725998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.725998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.725998 (E_RNA)
where:
Base-Base interactions energy: -202.097
where: short stacking energy: -88.009
Base-Backbone interact. energy: -0.066
local terms energy: -86.563841
where:
bonds (distance) C4'-P energy: -13.032
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -22.185
flat angles P-C4'-P energy: -17.034
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: 4, replica: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -277.712006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.712006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.712006 (E_RNA)
where:
Base-Base interactions energy: -182.394
where: short stacking energy: -86.359
Base-Backbone interact. energy: -0.006
local terms energy: -95.311632
where:
bonds (distance) C4'-P energy: -18.301
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -24.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -267.435651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.435651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.435651 (E_RNA)
where:
Base-Base interactions energy: -170.200
where: short stacking energy: -84.443
Base-Backbone interact. energy: -0.098
local terms energy: -97.137977
where:
bonds (distance) C4'-P energy: -19.101
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -14.733
tors. eta vs tors. theta energy: -26.852
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: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -255.767639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.767639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.767639 (E_RNA)
where:
Base-Base interactions energy: -169.169
where: short stacking energy: -83.049
Base-Backbone interact. energy: -0.081
local terms energy: -86.518251
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -18.603
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -13.201
tors. eta vs tors. theta energy: -21.934
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: 2
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -260.064869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.064869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.064869 (E_RNA)
where:
Base-Base interactions energy: -168.516
where: short stacking energy: -76.403
Base-Backbone interact. energy: -0.064
local terms energy: -91.485502
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -16.451
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -12.227
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: 8, replica: 3
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -117.211955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.211955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.211955 (E_RNA)
where:
Base-Base interactions energy: -39.512
where: short stacking energy: -36.378
Base-Backbone interact. energy: 2.616
local terms energy: -80.315766
where:
bonds (distance) C4'-P energy: -19.203
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -18.146
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -103.568491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.568491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.568491 (E_RNA)
where:
Base-Base interactions energy: -38.577
where: short stacking energy: -38.577
Base-Backbone interact. energy: 0.697
local terms energy: -65.687988
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -3.651
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: 1
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -88.395466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.395466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.395466 (E_RNA)
where:
Base-Base interactions energy: -28.025
where: short stacking energy: -21.133
Base-Backbone interact. energy: -0.736
local terms energy: -59.634135
where:
bonds (distance) C4'-P energy: -7.727
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: 0.438
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: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -301.929166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.929166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.929166 (E_RNA)
where:
Base-Base interactions energy: -206.217
where: short stacking energy: -86.534
Base-Backbone interact. energy: 0.211
local terms energy: -95.922984
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -16.806
tors. eta vs tors. theta energy: -21.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -301.324308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.324308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.324308 (E_RNA)
where:
Base-Base interactions energy: -212.853
where: short stacking energy: -81.460
Base-Backbone interact. energy: -0.389
local terms energy: -88.083245
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -21.813
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -13.972
tors. eta vs tors. theta energy: -22.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -300.576343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.576343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.576343 (E_RNA)
where:
Base-Base interactions energy: -202.497
where: short stacking energy: -93.378
Base-Backbone interact. energy: -0.205
local terms energy: -97.873699
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -21.466
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -28.020
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: 4
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -286.046592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.046592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.046592 (E_RNA)
where:
Base-Base interactions energy: -185.456
where: short stacking energy: -76.370
Base-Backbone interact. energy: -0.004
local terms energy: -100.585946
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -27.119
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: 361
Temperature: 1.100000
Total energy: -259.344278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.344278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.344278 (E_RNA)
where:
Base-Base interactions energy: -180.986
where: short stacking energy: -82.686
Base-Backbone interact. energy: -1.144
local terms energy: -77.213443
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -13.033
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: 6, replica: 2
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -260.223547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.223547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.223547 (E_RNA)
where:
Base-Base interactions energy: -172.993
where: short stacking energy: -74.550
Base-Backbone interact. energy: -0.046
local terms energy: -87.184721
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -13.784
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -17.201
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -249.194764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.194764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.194764 (E_RNA)
where:
Base-Base interactions energy: -161.271
where: short stacking energy: -82.027
Base-Backbone interact. energy: 0.246
local terms energy: -88.170444
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -19.206
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -23.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -152.975563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.975563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.975563 (E_RNA)
where:
Base-Base interactions energy: -91.426
where: short stacking energy: -47.147
Base-Backbone interact. energy: -0.164
local terms energy: -61.385654
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -6.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -147.615169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.615169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.615169 (E_RNA)
where:
Base-Base interactions energy: -92.726
where: short stacking energy: -57.381
Base-Backbone interact. energy: -0.336
local terms energy: -54.553280
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -9.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -92.128452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.128452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.128452 (E_RNA)
where:
Base-Base interactions energy: -35.684
where: short stacking energy: -33.784
Base-Backbone interact. energy: 1.100
local terms energy: -57.544600
where:
bonds (distance) C4'-P energy: -12.597
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -18.960
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -302.239551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.239551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.239551 (E_RNA)
where:
Base-Base interactions energy: -212.645
where: short stacking energy: -80.051
Base-Backbone interact. energy: -0.513
local terms energy: -89.080842
where:
bonds (distance) C4'-P energy: -20.514
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -13.468
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -310.311287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.311287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.311287 (E_RNA)
where:
Base-Base interactions energy: -212.365
where: short stacking energy: -87.567
Base-Backbone interact. energy: 0.279
local terms energy: -98.225911
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -22.450
flat angles P-C4'-P energy: -14.804
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: 3, replica: 4
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -281.880835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.880835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.880835 (E_RNA)
where:
Base-Base interactions energy: -179.274
where: short stacking energy: -89.389
Base-Backbone interact. energy: -0.672
local terms energy: -101.935255
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -22.689
flat angles C4'-P-C4' energy: -20.657
flat angles P-C4'-P energy: -16.628
tors. eta vs tors. theta energy: -22.388
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: 8
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -278.001973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.001973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.001973 (E_RNA)
where:
Base-Base interactions energy: -191.311
where: short stacking energy: -87.599
Base-Backbone interact. energy: -0.035
local terms energy: -86.655727
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -23.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -282.475972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.475972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.475972 (E_RNA)
where:
Base-Base interactions energy: -186.514
where: short stacking energy: -79.565
Base-Backbone interact. energy: -0.484
local terms energy: -95.478728
where:
bonds (distance) C4'-P energy: -18.951
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -276.489928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.489928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.489928 (E_RNA)
where:
Base-Base interactions energy: -181.466
where: short stacking energy: -85.253
Base-Backbone interact. energy: -0.854
local terms energy: -94.169997
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -14.792
tors. eta vs tors. theta energy: -20.236
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: 10
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -255.013477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.013477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.013477 (E_RNA)
where:
Base-Base interactions energy: -170.264
where: short stacking energy: -82.213
Base-Backbone interact. energy: -0.020
local terms energy: -84.729998
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -18.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -136.527440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.527440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.527440 (E_RNA)
where:
Base-Base interactions energy: -82.081
where: short stacking energy: -40.893
Base-Backbone interact. energy: 0.085
local terms energy: -54.531173
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -10.472
tors. eta vs tors. theta energy: -0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -114.116731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.116731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.116731 (E_RNA)
where:
Base-Base interactions energy: -52.406
where: short stacking energy: -34.260
Base-Backbone interact. energy: 0.107
local terms energy: -61.817624
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -13.684
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -1.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -102.046584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.046584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.046584 (E_RNA)
where:
Base-Base interactions energy: -37.894
where: short stacking energy: -34.888
Base-Backbone interact. energy: -0.094
local terms energy: -64.058704
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -18.123
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -6.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -303.501777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.501777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.501777 (E_RNA)
where:
Base-Base interactions energy: -215.491
where: short stacking energy: -85.304
Base-Backbone interact. energy: -0.450
local terms energy: -87.560569
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -21.602
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -306.263000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.263000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.263000 (E_RNA)
where:
Base-Base interactions energy: -217.601
where: short stacking energy: -91.717
Base-Backbone interact. energy: 1.557
local terms energy: -90.219098
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -21.921
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -273.602106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.602106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.602106 (E_RNA)
where:
Base-Base interactions energy: -184.454
where: short stacking energy: -81.299
Base-Backbone interact. energy: 1.018
local terms energy: -90.166042
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -24.387
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: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -275.510195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.510195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.510195 (E_RNA)
where:
Base-Base interactions energy: -179.517
where: short stacking energy: -94.446
Base-Backbone interact. energy: -0.001
local terms energy: -95.992616
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -19.110
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -29.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -260.556254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.556254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.556254 (E_RNA)
where:
Base-Base interactions energy: -173.933
where: short stacking energy: -76.922
Base-Backbone interact. energy: -0.288
local terms energy: -86.335871
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -249.965663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.965663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.965663 (E_RNA)
where:
Base-Base interactions energy: -175.030
where: short stacking energy: -82.416
Base-Backbone interact. energy: -0.211
local terms energy: -74.724613
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -21.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -252.548481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.548481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.548481 (E_RNA)
where:
Base-Base interactions energy: -174.296
where: short stacking energy: -75.529
Base-Backbone interact. energy: -0.077
local terms energy: -78.175956
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -16.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -157.773028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.773028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.773028 (E_RNA)
where:
Base-Base interactions energy: -85.786
where: short stacking energy: -43.900
Base-Backbone interact. energy: -0.068
local terms energy: -71.919052
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -9.585
tors. eta vs tors. theta energy: -10.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -103.255109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.255109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.255109 (E_RNA)
where:
Base-Base interactions energy: -36.451
where: short stacking energy: -36.451
Base-Backbone interact. energy: -0.228
local terms energy: -66.576613
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -10.632
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -6.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -94.172880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.172880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.172880 (E_RNA)
where:
Base-Base interactions energy: -33.229
where: short stacking energy: -26.914
Base-Backbone interact. energy: -0.432
local terms energy: -60.512062
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -1.672
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: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -304.893473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.893473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.893473 (E_RNA)
where:
Base-Base interactions energy: -212.917
where: short stacking energy: -81.386
Base-Backbone interact. energy: -0.601
local terms energy: -91.375310
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -21.267
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -301.651366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.651366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.651366 (E_RNA)
where:
Base-Base interactions energy: -204.097
where: short stacking energy: -77.174
Base-Backbone interact. energy: -0.302
local terms energy: -97.252565
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -24.030
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -17.474
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: 3, replica: 2
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -288.051615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.051615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.051615 (E_RNA)
where:
Base-Base interactions energy: -189.600
where: short stacking energy: -91.370
Base-Backbone interact. energy: -0.003
local terms energy: -98.449003
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -22.304
flat angles P-C4'-P energy: -17.631
tors. eta vs tors. theta energy: -26.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -273.698340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.698340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.698340 (E_RNA)
where:
Base-Base interactions energy: -188.582
where: short stacking energy: -85.233
Base-Backbone interact. energy: -0.549
local terms energy: -84.567414
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -17.945
tors. eta vs tors. theta energy: -21.943
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: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -260.381581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.381581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.381581 (E_RNA)
where:
Base-Base interactions energy: -177.825
where: short stacking energy: -72.041
Base-Backbone interact. energy: -0.407
local terms energy: -82.148873
where:
bonds (distance) C4'-P energy: -8.201
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -265.799348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.799348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.799348 (E_RNA)
where:
Base-Base interactions energy: -176.005
where: short stacking energy: -83.382
Base-Backbone interact. energy: -0.525
local terms energy: -89.269606
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -13.662
tors. eta vs tors. theta energy: -23.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -243.950225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.950225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.950225 (E_RNA)
where:
Base-Base interactions energy: -166.162
where: short stacking energy: -72.516
Base-Backbone interact. energy: -0.020
local terms energy: -77.767762
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -15.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -138.158259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.158259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.158259 (E_RNA)
where:
Base-Base interactions energy: -78.288
where: short stacking energy: -28.731
Base-Backbone interact. energy: -0.300
local terms energy: -59.570406
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -20.761
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: 1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -103.607592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.607592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.607592 (E_RNA)
where:
Base-Base interactions energy: -40.055
where: short stacking energy: -39.434
Base-Backbone interact. energy: 0.608
local terms energy: -64.161175
where:
bonds (distance) C4'-P energy: -16.219
bonds (distance) P-C4' energy: -13.888
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -7.590
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: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -99.423990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.423990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.423990 (E_RNA)
where:
Base-Base interactions energy: -37.065
where: short stacking energy: -37.065
Base-Backbone interact. energy: -0.246
local terms energy: -62.113516
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -18.028
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -7.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -306.267293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.267293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.267293 (E_RNA)
where:
Base-Base interactions energy: -214.075
where: short stacking energy: -81.414
Base-Backbone interact. energy: -0.361
local terms energy: -91.830870
where:
bonds (distance) C4'-P energy: -19.514
bonds (distance) P-C4' energy: -21.279
flat angles C4'-P-C4' energy: -19.868
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -16.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -300.656623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.656623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.656623 (E_RNA)
where:
Base-Base interactions energy: -210.442
where: short stacking energy: -77.528
Base-Backbone interact. energy: -0.765
local terms energy: -89.449192
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -21.261
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -19.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -287.191074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.191074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.191074 (E_RNA)
where:
Base-Base interactions energy: -189.620
where: short stacking energy: -92.445
Base-Backbone interact. energy: -0.004
local terms energy: -97.566697
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -30.578
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: 4
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -274.111963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.111963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.111963 (E_RNA)
where:
Base-Base interactions energy: -188.228
where: short stacking energy: -83.383
Base-Backbone interact. energy: -0.136
local terms energy: -85.747796
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -16.719
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -7.062
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: 365
Temperature: 1.100000
Total energy: -263.327174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.327174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.327174 (E_RNA)
where:
Base-Base interactions energy: -185.880
where: short stacking energy: -79.666
Base-Backbone interact. energy: -0.192
local terms energy: -77.255672
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -11.704
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -251.687601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.687601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.687601 (E_RNA)
where:
Base-Base interactions energy: -169.473
where: short stacking energy: -90.858
Base-Backbone interact. energy: -0.311
local terms energy: -81.903577
where:
bonds (distance) C4'-P energy: -7.829
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -24.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -254.097488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.097488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.097488 (E_RNA)
where:
Base-Base interactions energy: -173.889
where: short stacking energy: -84.180
Base-Backbone interact. energy: -0.013
local terms energy: -80.195914
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -8.882
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: 8, replica: 1
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -113.546555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.546555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.546555 (E_RNA)
where:
Base-Base interactions energy: -42.719
where: short stacking energy: -28.193
Base-Backbone interact. energy: -0.205
local terms energy: -70.622612
where:
bonds (distance) C4'-P energy: -17.365
bonds (distance) P-C4' energy: -21.594
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -1.564
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: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -103.889504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.889504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.889504 (E_RNA)
where:
Base-Base interactions energy: -37.573
where: short stacking energy: -35.852
Base-Backbone interact. energy: 0.113
local terms energy: -66.428851
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -12.558
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: -5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -96.420432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.420432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.420432 (E_RNA)
where:
Base-Base interactions energy: -41.661
where: short stacking energy: -34.344
Base-Backbone interact. energy: -0.255
local terms energy: -54.504560
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -0.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -309.335437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.335437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.335437 (E_RNA)
where:
Base-Base interactions energy: -211.171
where: short stacking energy: -88.043
Base-Backbone interact. energy: -0.304
local terms energy: -97.860852
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -23.019
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: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -298.883699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.883699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.883699 (E_RNA)
where:
Base-Base interactions energy: -206.944
where: short stacking energy: -88.093
Base-Backbone interact. energy: 0.056
local terms energy: -91.995976
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -21.951
flat angles C4'-P-C4' energy: -21.884
flat angles P-C4'-P energy: -14.728
tors. eta vs tors. theta energy: -19.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -289.659843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.659843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.659843 (E_RNA)
where:
Base-Base interactions energy: -195.327
where: short stacking energy: -82.411
Base-Backbone interact. energy: 0.184
local terms energy: -94.517044
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -21.485
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: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -274.157425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.157425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.157425 (E_RNA)
where:
Base-Base interactions energy: -180.138
where: short stacking energy: -85.847
Base-Backbone interact. energy: -0.092
local terms energy: -93.928207
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -251.954172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.954172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.954172 (E_RNA)
where:
Base-Base interactions energy: -166.687
where: short stacking energy: -75.387
Base-Backbone interact. energy: -0.605
local terms energy: -84.662144
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -11.859
tors. eta vs tors. theta energy: -19.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -279.932287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.932287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.932287 (E_RNA)
where:
Base-Base interactions energy: -194.351
where: short stacking energy: -81.387
Base-Backbone interact. energy: -0.145
local terms energy: -85.436253
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -9.701
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: 7, replica: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -241.356139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.356139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.356139 (E_RNA)
where:
Base-Base interactions energy: -164.009
where: short stacking energy: -74.198
Base-Backbone interact. energy: -0.097
local terms energy: -77.250453
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -106.499952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.499952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.499952 (E_RNA)
where:
Base-Base interactions energy: -53.811
where: short stacking energy: -32.661
Base-Backbone interact. energy: -0.210
local terms energy: -52.478596
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -3.003
tors. eta vs tors. theta energy: -1.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -104.358965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.358965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.358965 (E_RNA)
where:
Base-Base interactions energy: -37.400
where: short stacking energy: -35.562
Base-Backbone interact. energy: -0.036
local terms energy: -66.922887
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -16.408
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -8.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -89.964803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.964803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.964803 (E_RNA)
where:
Base-Base interactions energy: -30.201
where: short stacking energy: -30.201
Base-Backbone interact. energy: -0.307
local terms energy: -59.457222
where:
bonds (distance) C4'-P energy: -16.365
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -317.051934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.051934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.051934 (E_RNA)
where:
Base-Base interactions energy: -222.010
where: short stacking energy: -82.123
Base-Backbone interact. energy: -0.979
local terms energy: -94.062943
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -20.995
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -22.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -295.677381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.677381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.677381 (E_RNA)
where:
Base-Base interactions energy: -199.760
where: short stacking energy: -87.448
Base-Backbone interact. energy: -0.003
local terms energy: -95.915222
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -26.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -300.965272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.965272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.965272 (E_RNA)
where:
Base-Base interactions energy: -212.375
where: short stacking energy: -86.395
Base-Backbone interact. energy: -1.259
local terms energy: -87.330739
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -16.313
tors. eta vs tors. theta energy: -19.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -264.282091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.282091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.282091 (E_RNA)
where:
Base-Base interactions energy: -170.113
where: short stacking energy: -77.082
Base-Backbone interact. energy: -0.292
local terms energy: -93.877513
where:
bonds (distance) C4'-P energy: -22.334
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -10.693
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: 5, replica: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -258.355348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.355348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.355348 (E_RNA)
where:
Base-Base interactions energy: -175.125
where: short stacking energy: -84.318
Base-Backbone interact. energy: -0.287
local terms energy: -82.944262
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -15.970
flat angles P-C4'-P energy: -9.367
tors. eta vs tors. theta energy: -22.706
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: 6, replica: 8
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -256.399219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.399219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.399219 (E_RNA)
where:
Base-Base interactions energy: -168.925
where: short stacking energy: -86.151
Base-Backbone interact. energy: -0.174
local terms energy: -87.299671
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: -23.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -268.044337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.044337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.044337 (E_RNA)
where:
Base-Base interactions energy: -184.290
where: short stacking energy: -76.196
Base-Backbone interact. energy: -0.236
local terms energy: -83.518079
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -21.017
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -7.156
tors. eta vs tors. theta energy: -23.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -101.640270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.640270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.640270 (E_RNA)
where:
Base-Base interactions energy: -39.854
where: short stacking energy: -39.013
Base-Backbone interact. energy: -0.081
local terms energy: -61.705557
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -5.886
tors. eta vs tors. theta energy: -6.599
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: 1
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -104.339230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.339230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.339230 (E_RNA)
where:
Base-Base interactions energy: -34.761
where: short stacking energy: -33.625
Base-Backbone interact. energy: -0.113
local terms energy: -69.465147
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -24.010
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -5.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -97.941205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.941205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.941205 (E_RNA)
where:
Base-Base interactions energy: -34.515
where: short stacking energy: -26.320
Base-Backbone interact. energy: -0.394
local terms energy: -63.032017
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: -0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -291.549583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.549583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.549583 (E_RNA)
where:
Base-Base interactions energy: -202.611
where: short stacking energy: -91.427
Base-Backbone interact. energy: -0.004
local terms energy: -88.935078
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -6.769
tors. eta vs tors. theta energy: -27.522
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: 9
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -299.957658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.957658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.957658 (E_RNA)
where:
Base-Base interactions energy: -215.604
where: short stacking energy: -83.665
Base-Backbone interact. energy: 5.350
local terms energy: -89.703064
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -21.389
flat angles P-C4'-P energy: -15.652
tors. eta vs tors. theta energy: -19.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -297.805397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.805397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.805397 (E_RNA)
where:
Base-Base interactions energy: -206.553
where: short stacking energy: -80.188
Base-Backbone interact. energy: -0.236
local terms energy: -91.016440
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -23.040
flat angles P-C4'-P energy: -11.873
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: 4, replica: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -268.751187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.751187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.751187 (E_RNA)
where:
Base-Base interactions energy: -176.678
where: short stacking energy: -76.037
Base-Backbone interact. energy: -0.351
local terms energy: -91.722464
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -273.341539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.341539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.341539 (E_RNA)
where:
Base-Base interactions energy: -184.198
where: short stacking energy: -82.503
Base-Backbone interact. energy: -0.071
local terms energy: -89.072734
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -13.639
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: 6, replica: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -261.430810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.430810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.430810 (E_RNA)
where:
Base-Base interactions energy: -172.695
where: short stacking energy: -83.257
Base-Backbone interact. energy: -0.273
local terms energy: -88.462706
where:
bonds (distance) C4'-P energy: -20.359
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -12.385
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: 7, replica: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -267.795855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.795855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.795855 (E_RNA)
where:
Base-Base interactions energy: -182.987
where: short stacking energy: -79.573
Base-Backbone interact. energy: -0.535
local terms energy: -84.273538
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -20.181
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -102.924355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.924355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.924355 (E_RNA)
where:
Base-Base interactions energy: -41.027
where: short stacking energy: -40.487
Base-Backbone interact. energy: -0.199
local terms energy: -61.698562
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -7.991
tors. eta vs tors. theta energy: -8.864
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: 1
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -97.828292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.828292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.828292 (E_RNA)
where:
Base-Base interactions energy: -43.062
where: short stacking energy: -43.062
Base-Backbone interact. energy: -0.132
local terms energy: -54.634700
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -2.342
tors. eta vs tors. theta energy: -2.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -81.372894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.372894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.372894 (E_RNA)
where:
Base-Base interactions energy: -33.055
where: short stacking energy: -31.537
Base-Backbone interact. energy: 0.124
local terms energy: -48.441572
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -10.434
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: 3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -290.746933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.746933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.746933 (E_RNA)
where:
Base-Base interactions energy: -195.502
where: short stacking energy: -88.212
Base-Backbone interact. energy: 4.150
local terms energy: -99.394964
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -21.464
flat angles P-C4'-P energy: -15.309
tors. eta vs tors. theta energy: -25.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -303.457198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.457198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.457198 (E_RNA)
where:
Base-Base interactions energy: -211.719
where: short stacking energy: -81.896
Base-Backbone interact. energy: -0.052
local terms energy: -91.686249
where:
bonds (distance) C4'-P energy: -17.034
bonds (distance) P-C4' energy: -19.216
flat angles C4'-P-C4' energy: -20.693
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -22.000
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: 9
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -300.039210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.039210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.039210 (E_RNA)
where:
Base-Base interactions energy: -215.956
where: short stacking energy: -84.041
Base-Backbone interact. energy: -0.878
local terms energy: -83.205085
where:
bonds (distance) C4'-P energy: -18.144
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -275.914077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.914077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.914077 (E_RNA)
where:
Base-Base interactions energy: -180.494
where: short stacking energy: -90.385
Base-Backbone interact. energy: -1.241
local terms energy: -94.179541
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -13.062
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -15.585
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: 5, replica: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -262.945792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.945792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.945792 (E_RNA)
where:
Base-Base interactions energy: -175.910
where: short stacking energy: -80.847
Base-Backbone interact. energy: -0.048
local terms energy: -86.987746
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -24.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -271.075144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.075144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.075144 (E_RNA)
where:
Base-Base interactions energy: -176.415
where: short stacking energy: -87.340
Base-Backbone interact. energy: -0.112
local terms energy: -94.548490
where:
bonds (distance) C4'-P energy: -13.831
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: -24.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -263.199777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.199777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.199777 (E_RNA)
where:
Base-Base interactions energy: -181.124
where: short stacking energy: -77.609
Base-Backbone interact. energy: 0.918
local terms energy: -82.993500
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -17.881
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: 3
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -122.538022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.538022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.538022 (E_RNA)
where:
Base-Base interactions energy: -59.440
where: short stacking energy: -44.640
Base-Backbone interact. energy: -0.065
local terms energy: -63.033077
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -101.894465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.894465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.894465 (E_RNA)
where:
Base-Base interactions energy: -32.258
where: short stacking energy: -32.258
Base-Backbone interact. energy: 1.007
local terms energy: -70.643647
where:
bonds (distance) C4'-P energy: -20.515
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -87.601311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.601311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.601311 (E_RNA)
where:
Base-Base interactions energy: -34.057
where: short stacking energy: -34.057
Base-Backbone interact. energy: 1.761
local terms energy: -55.305595
where:
bonds (distance) C4'-P energy: -18.486
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -14.724
flat angles P-C4'-P energy: -8.410
tors. eta vs tors. theta energy: -1.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -311.264514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.264514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.264514 (E_RNA)
where:
Base-Base interactions energy: -214.766
where: short stacking energy: -89.607
Base-Backbone interact. energy: -0.523
local terms energy: -95.975711
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -23.305
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -22.242
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: 4
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -279.493563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.493563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.493563 (E_RNA)
where:
Base-Base interactions energy: -186.467
where: short stacking energy: -90.946
Base-Backbone interact. energy: -0.875
local terms energy: -92.151525
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -15.689
tors. eta vs tors. theta energy: -23.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -297.731464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.731464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.731464 (E_RNA)
where:
Base-Base interactions energy: -207.059
where: short stacking energy: -88.078
Base-Backbone interact. energy: -0.000
local terms energy: -90.672257
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -20.246
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -27.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -302.721699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.721699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.721699 (E_RNA)
where:
Base-Base interactions energy: -220.337
where: short stacking energy: -85.305
Base-Backbone interact. energy: -0.588
local terms energy: -81.797206
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -21.534
flat angles P-C4'-P energy: -8.137
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: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -264.934367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.934367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.934367 (E_RNA)
where:
Base-Base interactions energy: -176.565
where: short stacking energy: -81.834
Base-Backbone interact. energy: -0.709
local terms energy: -87.660314
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -18.316
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: 6, replica: 6
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -264.805864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.805864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.805864 (E_RNA)
where:
Base-Base interactions energy: -171.991
where: short stacking energy: -82.352
Base-Backbone interact. energy: -0.813
local terms energy: -92.001898
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -26.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -257.975116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.975116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.975116 (E_RNA)
where:
Base-Base interactions energy: -177.950
where: short stacking energy: -87.010
Base-Backbone interact. energy: 0.372
local terms energy: -80.397140
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -20.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -105.217133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.217133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.217133 (E_RNA)
where:
Base-Base interactions energy: -33.950
where: short stacking energy: -32.321
Base-Backbone interact. energy: -0.463
local terms energy: -70.804519
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -21.931
flat angles C4'-P-C4' energy: -18.388
flat angles P-C4'-P energy: -6.878
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -101.055371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.055371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.055371 (E_RNA)
where:
Base-Base interactions energy: -37.574
where: short stacking energy: -29.670
Base-Backbone interact. energy: -1.050
local terms energy: -62.430949
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -6.815
tors. eta vs tors. theta energy: -9.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -101.896553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.896553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.896553 (E_RNA)
where:
Base-Base interactions energy: -32.878
where: short stacking energy: -32.878
Base-Backbone interact. energy: -0.439
local terms energy: -68.579618
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -7.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -311.210990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.210990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.210990 (E_RNA)
where:
Base-Base interactions energy: -216.223
where: short stacking energy: -85.982
Base-Backbone interact. energy: 1.376
local terms energy: -96.363650
where:
bonds (distance) C4'-P energy: -17.721
bonds (distance) P-C4' energy: -23.093
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -16.337
tors. eta vs tors. theta energy: -21.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -299.326156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.326156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.326156 (E_RNA)
where:
Base-Base interactions energy: -199.595
where: short stacking energy: -89.079
Base-Backbone interact. energy: -0.158
local terms energy: -99.572881
where:
bonds (distance) C4'-P energy: -20.214
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -13.997
tors. eta vs tors. theta energy: -26.898
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: 3, replica: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -278.254848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.254848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.254848 (E_RNA)
where:
Base-Base interactions energy: -184.542
where: short stacking energy: -90.506
Base-Backbone interact. energy: -0.108
local terms energy: -93.605355
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -21.199
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -24.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -296.434129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.434129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.434129 (E_RNA)
where:
Base-Base interactions energy: -210.629
where: short stacking energy: -83.903
Base-Backbone interact. energy: -0.252
local terms energy: -85.552690
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -11.012
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: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -263.920978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.920978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.920978 (E_RNA)
where:
Base-Base interactions energy: -168.066
where: short stacking energy: -76.005
Base-Backbone interact. energy: -0.056
local terms energy: -95.799144
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -24.558
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: 10
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -250.898150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.898150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.898150 (E_RNA)
where:
Base-Base interactions energy: -166.245
where: short stacking energy: -76.863
Base-Backbone interact. energy: -0.437
local terms energy: -84.216070
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -15.792
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -23.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -251.005086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.005086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.005086 (E_RNA)
where:
Base-Base interactions energy: -172.627
where: short stacking energy: -77.335
Base-Backbone interact. energy: 0.491
local terms energy: -78.868718
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -19.959
flat angles C4'-P-C4' energy: -18.473
flat angles P-C4'-P energy: -3.999
tors. eta vs tors. theta energy: -18.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -101.828979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.828979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.828979 (E_RNA)
where:
Base-Base interactions energy: -34.522
where: short stacking energy: -34.522
Base-Backbone interact. energy: -0.180
local terms energy: -67.127029
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -12.819
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -118.925301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.925301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.925301 (E_RNA)
where:
Base-Base interactions energy: -48.277
where: short stacking energy: -48.277
Base-Backbone interact. energy: -0.211
local terms energy: -70.436675
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -17.095
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -12.827
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: 10, replica: 1
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -99.698706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.698706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.698706 (E_RNA)
where:
Base-Base interactions energy: -40.580
where: short stacking energy: -34.016
Base-Backbone interact. energy: -0.325
local terms energy: -58.794329
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -10.351
tors. eta vs tors. theta energy: -4.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -291.305548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.305548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.305548 (E_RNA)
where:
Base-Base interactions energy: -192.364
where: short stacking energy: -89.582
Base-Backbone interact. energy: -0.259
local terms energy: -98.682468
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -16.504
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: 2, replica: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -298.813259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.813259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.813259 (E_RNA)
where:
Base-Base interactions energy: -201.754
where: short stacking energy: -79.407
Base-Backbone interact. energy: -0.226
local terms energy: -96.833008
where:
bonds (distance) C4'-P energy: -21.431
bonds (distance) P-C4' energy: -22.608
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -18.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -297.489558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.489558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.489558 (E_RNA)
where:
Base-Base interactions energy: -205.306
where: short stacking energy: -83.540
Base-Backbone interact. energy: 0.737
local terms energy: -92.920308
where:
bonds (distance) C4'-P energy: -23.153
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -22.345
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -267.766696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.766696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.766696 (E_RNA)
where:
Base-Base interactions energy: -179.648
where: short stacking energy: -82.570
Base-Backbone interact. energy: -0.222
local terms energy: -87.897150
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -26.693
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: 10
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -265.706915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.706915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.706915 (E_RNA)
where:
Base-Base interactions energy: -170.397
where: short stacking energy: -75.055
Base-Backbone interact. energy: -0.195
local terms energy: -95.114927
where:
bonds (distance) C4'-P energy: -20.575
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -25.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -268.034389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.034389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.034389 (E_RNA)
where:
Base-Base interactions energy: -184.910
where: short stacking energy: -85.413
Base-Backbone interact. energy: -0.002
local terms energy: -83.122132
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -25.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -232.178561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.178561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.178561 (E_RNA)
where:
Base-Base interactions energy: -149.488
where: short stacking energy: -66.208
Base-Backbone interact. energy: -0.495
local terms energy: -82.195515
where:
bonds (distance) C4'-P energy: -19.300
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -19.163
flat angles P-C4'-P energy: -10.473
tors. eta vs tors. theta energy: -15.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -101.166346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.166346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.166346 (E_RNA)
where:
Base-Base interactions energy: -25.795
where: short stacking energy: -23.415
Base-Backbone interact. energy: -0.221
local terms energy: -75.150645
where:
bonds (distance) C4'-P energy: -17.324
bonds (distance) P-C4' energy: -21.312
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -4.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -102.990620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.990620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.990620 (E_RNA)
where:
Base-Base interactions energy: -45.567
where: short stacking energy: -29.561
Base-Backbone interact. energy: -0.620
local terms energy: -56.803671
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -16.123
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: 1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -92.540565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.540565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.540565 (E_RNA)
where:
Base-Base interactions energy: -35.356
where: short stacking energy: -30.712
Base-Backbone interact. energy: 0.647
local terms energy: -57.831502
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -14.864
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -295.582581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.582581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.582581 (E_RNA)
where:
Base-Base interactions energy: -194.125
where: short stacking energy: -88.980
Base-Backbone interact. energy: -0.314
local terms energy: -101.143552
where:
bonds (distance) C4'-P energy: -19.344
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -14.693
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: 2, replica: 7
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -306.133198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.133198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.133198 (E_RNA)
where:
Base-Base interactions energy: -209.271
where: short stacking energy: -83.248
Base-Backbone interact. energy: -0.399
local terms energy: -96.463021
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -22.036
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -21.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -310.804051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.804051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.804051 (E_RNA)
where:
Base-Base interactions energy: -216.931
where: short stacking energy: -89.478
Base-Backbone interact. energy: -0.307
local terms energy: -93.566500
where:
bonds (distance) C4'-P energy: -20.971
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -15.790
tors. eta vs tors. theta energy: -18.234
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: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -261.770359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.770359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.770359 (E_RNA)
where:
Base-Base interactions energy: -186.079
where: short stacking energy: -75.770
Base-Backbone interact. energy: -0.317
local terms energy: -75.374494
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -12.919
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -273.284527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.284527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.284527 (E_RNA)
where:
Base-Base interactions energy: -183.864
where: short stacking energy: -78.673
Base-Backbone interact. energy: -0.720
local terms energy: -88.700326
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -20.136
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -15.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -249.502091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.502091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.502091 (E_RNA)
where:
Base-Base interactions energy: -172.212
where: short stacking energy: -80.515
Base-Backbone interact. energy: 1.391
local terms energy: -78.681216
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -20.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -261.932362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.932362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.932362 (E_RNA)
where:
Base-Base interactions energy: -174.564
where: short stacking energy: -77.654
Base-Backbone interact. energy: -0.306
local terms energy: -87.062640
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -10.626
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: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -111.476473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.476473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.476473 (E_RNA)
where:
Base-Base interactions energy: -48.364
where: short stacking energy: -46.745
Base-Backbone interact. energy: -0.224
local terms energy: -62.888145
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -97.973857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.973857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.973857 (E_RNA)
where:
Base-Base interactions energy: -34.951
where: short stacking energy: -31.459
Base-Backbone interact. energy: -0.739
local terms energy: -62.284270
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -94.128622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.128622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.128622 (E_RNA)
where:
Base-Base interactions energy: -28.730
where: short stacking energy: -28.730
Base-Backbone interact. energy: -0.500
local terms energy: -64.897720
where:
bonds (distance) C4'-P energy: -19.742
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -3.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -303.880874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.880874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.880874 (E_RNA)
where:
Base-Base interactions energy: -208.250
where: short stacking energy: -80.147
Base-Backbone interact. energy: 0.413
local terms energy: -96.043165
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -21.722
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -20.641
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: 2
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -289.138439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.138439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.138439 (E_RNA)
where:
Base-Base interactions energy: -199.169
where: short stacking energy: -97.863
Base-Backbone interact. energy: 0.143
local terms energy: -90.112059
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -27.240
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: 9
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -298.256301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.256301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.256301 (E_RNA)
where:
Base-Base interactions energy: -209.986
where: short stacking energy: -85.124
Base-Backbone interact. energy: 0.480
local terms energy: -88.750069
where:
bonds (distance) C4'-P energy: -19.952
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -266.843937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.843937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.843937 (E_RNA)
where:
Base-Base interactions energy: -170.665
where: short stacking energy: -79.565
Base-Backbone interact. energy: -0.751
local terms energy: -95.427486
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -23.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -263.210695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.210695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.210695 (E_RNA)
where:
Base-Base interactions energy: -174.074
where: short stacking energy: -84.343
Base-Backbone interact. energy: -0.093
local terms energy: -89.043361
where:
bonds (distance) C4'-P energy: -19.994
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -13.307
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: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -271.513300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.513300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.513300 (E_RNA)
where:
Base-Base interactions energy: -187.049
where: short stacking energy: -80.822
Base-Backbone interact. energy: -0.185
local terms energy: -84.279742
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -20.393
flat angles P-C4'-P energy: -9.810
tors. eta vs tors. theta energy: -24.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -247.869684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.869684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.869684 (E_RNA)
where:
Base-Base interactions energy: -161.027
where: short stacking energy: -74.720
Base-Backbone interact. energy: -0.257
local terms energy: -86.585868
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -21.532
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -21.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -101.386426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.386426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.386426 (E_RNA)
where:
Base-Base interactions energy: -34.329
where: short stacking energy: -33.289
Base-Backbone interact. energy: -1.429
local terms energy: -65.628798
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -12.206
flat angles P-C4'-P energy: -11.745
tors. eta vs tors. theta energy: -7.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -110.138276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.138276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.138276 (E_RNA)
where:
Base-Base interactions energy: -53.123
where: short stacking energy: -38.417
Base-Backbone interact. energy: -0.106
local terms energy: -56.909263
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -18.432
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -102.291239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.291239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.291239 (E_RNA)
where:
Base-Base interactions energy: -36.060
where: short stacking energy: -32.366
Base-Backbone interact. energy: -0.324
local terms energy: -65.907185
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -22.646
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -308.426631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.426631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.426631 (E_RNA)
where:
Base-Base interactions energy: -207.336
where: short stacking energy: -78.488
Base-Backbone interact. energy: -2.643
local terms energy: -98.447433
where:
bonds (distance) C4'-P energy: -21.359
bonds (distance) P-C4' energy: -23.536
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -21.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -306.242180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.242180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.242180 (E_RNA)
where:
Base-Base interactions energy: -208.424
where: short stacking energy: -84.353
Base-Backbone interact. energy: -0.103
local terms energy: -97.715254
where:
bonds (distance) C4'-P energy: -21.695
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -19.257
flat angles P-C4'-P energy: -16.739
tors. eta vs tors. theta energy: -22.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -293.152358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.152358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.152358 (E_RNA)
where:
Base-Base interactions energy: -194.238
where: short stacking energy: -99.738
Base-Backbone interact. energy: -0.002
local terms energy: -98.911549
where:
bonds (distance) C4'-P energy: -18.877
bonds (distance) P-C4' energy: -18.717
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -28.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -277.385258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.385258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.385258 (E_RNA)
where:
Base-Base interactions energy: -178.882
where: short stacking energy: -88.779
Base-Backbone interact. energy: -0.180
local terms energy: -98.322566
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -15.227
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: 5, replica: 6
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -269.580598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.580598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.580598 (E_RNA)
where:
Base-Base interactions energy: -172.471
where: short stacking energy: -88.030
Base-Backbone interact. energy: -0.107
local terms energy: -97.002601
where:
bonds (distance) C4'-P energy: -20.654
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -14.234
tors. eta vs tors. theta energy: -26.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -269.094308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.094308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.094308 (E_RNA)
where:
Base-Base interactions energy: -179.317
where: short stacking energy: -82.708
Base-Backbone interact. energy: -0.124
local terms energy: -89.653383
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -18.113
flat angles P-C4'-P energy: -15.047
tors. eta vs tors. theta energy: -23.714
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: 375
Temperature: 1.200000
Total energy: -251.831786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.831786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.831786 (E_RNA)
where:
Base-Base interactions energy: -168.333
where: short stacking energy: -77.796
Base-Backbone interact. energy: 0.069
local terms energy: -83.567380
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -14.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -131.846755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.846755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.846755 (E_RNA)
where:
Base-Base interactions energy: -68.348
where: short stacking energy: -42.839
Base-Backbone interact. energy: -0.697
local terms energy: -62.801786
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -7.804
flat angles P-C4'-P energy: -10.978
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -96.483911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.483911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.483911 (E_RNA)
where:
Base-Base interactions energy: -32.270
where: short stacking energy: -32.270
Base-Backbone interact. energy: -0.220
local terms energy: -63.994787
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -7.197
tors. eta vs tors. theta energy: -4.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -94.286119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.286119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.286119 (E_RNA)
where:
Base-Base interactions energy: -43.462
where: short stacking energy: -39.013
Base-Backbone interact. energy: -0.577
local terms energy: -50.247189
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -1.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -322.371897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.371897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.371897 (E_RNA)
where:
Base-Base interactions energy: -220.310
where: short stacking energy: -87.664
Base-Backbone interact. energy: -0.263
local terms energy: -101.799584
where:
bonds (distance) C4'-P energy: -21.812
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -21.822
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -21.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -299.783040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.783040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.783040 (E_RNA)
where:
Base-Base interactions energy: -212.202
where: short stacking energy: -81.516
Base-Backbone interact. energy: -0.350
local terms energy: -87.231148
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -285.912822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.912822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.912822 (E_RNA)
where:
Base-Base interactions energy: -188.485
where: short stacking energy: -82.082
Base-Backbone interact. energy: -0.203
local terms energy: -97.225190
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -15.436
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: 4, replica: 2
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -284.729233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.729233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.729233 (E_RNA)
where:
Base-Base interactions energy: -184.987
where: short stacking energy: -93.483
Base-Backbone interact. energy: -0.039
local terms energy: -99.703199
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -27.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -276.038744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.038744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.038744 (E_RNA)
where:
Base-Base interactions energy: -179.034
where: short stacking energy: -91.233
Base-Backbone interact. energy: -0.008
local terms energy: -96.997534
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -23.414
flat angles P-C4'-P energy: -13.251
tors. eta vs tors. theta energy: -24.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -280.293000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.293000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.293000 (E_RNA)
where:
Base-Base interactions energy: -200.303
where: short stacking energy: -83.354
Base-Backbone interact. energy: -0.113
local terms energy: -79.876689
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -247.301623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.301623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.301623 (E_RNA)
where:
Base-Base interactions energy: -155.589
where: short stacking energy: -69.824
Base-Backbone interact. energy: -0.050
local terms energy: -91.662855
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -21.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -111.889257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.889257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.889257 (E_RNA)
where:
Base-Base interactions energy: -49.443
where: short stacking energy: -26.980
Base-Backbone interact. energy: -0.950
local terms energy: -61.495654
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -10.880
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -94.943584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.943584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.943584 (E_RNA)
where:
Base-Base interactions energy: -39.984
where: short stacking energy: -36.363
Base-Backbone interact. energy: -0.044
local terms energy: -54.915637
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -2.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -106.249895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.249895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.249895 (E_RNA)
where:
Base-Base interactions energy: -41.948
where: short stacking energy: -38.132
Base-Backbone interact. energy: -0.186
local terms energy: -64.115886
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -2.863
tors. eta vs tors. theta energy: -8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -302.734242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.734242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.734242 (E_RNA)
where:
Base-Base interactions energy: -210.598
where: short stacking energy: -79.964
Base-Backbone interact. energy: -0.713
local terms energy: -91.423116
where:
bonds (distance) C4'-P energy: -17.403
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -301.550723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.550723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.550723 (E_RNA)
where:
Base-Base interactions energy: -211.103
where: short stacking energy: -86.733
Base-Backbone interact. energy: 0.891
local terms energy: -91.339038
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -20.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -277.027964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.027964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.027964 (E_RNA)
where:
Base-Base interactions energy: -184.376
where: short stacking energy: -89.166
Base-Backbone interact. energy: -0.536
local terms energy: -92.116367
where:
bonds (distance) C4'-P energy: -16.017
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -27.193
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: 4, replica: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -272.203874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.203874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.203874 (E_RNA)
where:
Base-Base interactions energy: -171.843
where: short stacking energy: -79.433
Base-Backbone interact. energy: -0.002
local terms energy: -100.359241
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -19.487
flat angles C4'-P-C4' energy: -20.330
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -26.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -272.369952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.369952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.369952 (E_RNA)
where:
Base-Base interactions energy: -181.094
where: short stacking energy: -86.820
Base-Backbone interact. energy: -0.260
local terms energy: -91.016378
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -13.614
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -25.953
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: 6, replica: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -279.588164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.588164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.588164 (E_RNA)
where:
Base-Base interactions energy: -188.319
where: short stacking energy: -76.376
Base-Backbone interact. energy: -0.211
local terms energy: -91.057495
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -20.568
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -12.035
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -249.754858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.754858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.754858 (E_RNA)
where:
Base-Base interactions energy: -155.746
where: short stacking energy: -67.768
Base-Backbone interact. energy: -0.124
local terms energy: -93.884935
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -23.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -109.146590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.146590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.146590 (E_RNA)
where:
Base-Base interactions energy: -54.255
where: short stacking energy: -38.421
Base-Backbone interact. energy: 2.316
local terms energy: -57.207609
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -106.761458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.761458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.761458 (E_RNA)
where:
Base-Base interactions energy: -38.548
where: short stacking energy: -35.484
Base-Backbone interact. energy: -1.165
local terms energy: -67.048233
where:
bonds (distance) C4'-P energy: -19.931
bonds (distance) P-C4' energy: -22.882
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: 4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -98.859126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.859126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.859126 (E_RNA)
where:
Base-Base interactions energy: -30.346
where: short stacking energy: -29.956
Base-Backbone interact. energy: -1.531
local terms energy: -66.982869
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -8.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -306.110515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.110515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.110515 (E_RNA)
where:
Base-Base interactions energy: -220.260
where: short stacking energy: -94.630
Base-Backbone interact. energy: 0.397
local terms energy: -86.246691
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -9.555
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: 2, replica: 9
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -304.257883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.257883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.257883 (E_RNA)
where:
Base-Base interactions energy: -207.886
where: short stacking energy: -86.334
Base-Backbone interact. energy: -0.126
local terms energy: -96.246103
where:
bonds (distance) C4'-P energy: -20.839
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -22.766
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -17.569
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: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -292.464145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.464145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.464145 (E_RNA)
where:
Base-Base interactions energy: -201.206
where: short stacking energy: -92.783
Base-Backbone interact. energy: -0.635
local terms energy: -90.622825
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -14.373
tors. eta vs tors. theta energy: -23.202
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: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -268.273043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.273043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.273043 (E_RNA)
where:
Base-Base interactions energy: -176.274
where: short stacking energy: -78.155
Base-Backbone interact. energy: -0.101
local terms energy: -91.898006
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -22.183
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -11.278
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: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -259.764264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.764264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.764264 (E_RNA)
where:
Base-Base interactions energy: -174.293
where: short stacking energy: -83.002
Base-Backbone interact. energy: -0.034
local terms energy: -85.437705
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -12.182
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: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -261.484106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.484106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.484106 (E_RNA)
where:
Base-Base interactions energy: -167.081
where: short stacking energy: -87.938
Base-Backbone interact. energy: -0.529
local terms energy: -93.874137
where:
bonds (distance) C4'-P energy: -18.975
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -27.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -225.268358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.268358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.268358 (E_RNA)
where:
Base-Base interactions energy: -148.027
where: short stacking energy: -74.157
Base-Backbone interact. energy: -0.132
local terms energy: -77.109446
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -104.984212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.984212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.984212 (E_RNA)
where:
Base-Base interactions energy: -41.733
where: short stacking energy: -41.733
Base-Backbone interact. energy: -0.871
local terms energy: -62.379511
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -12.652
flat angles P-C4'-P energy: -6.796
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: 1
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -105.432174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.432174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.432174 (E_RNA)
where:
Base-Base interactions energy: -42.004
where: short stacking energy: -32.452
Base-Backbone interact. energy: 1.011
local terms energy: -64.438751
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -5.838
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: 5
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -99.620599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.620599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.620599 (E_RNA)
where:
Base-Base interactions energy: -53.492
where: short stacking energy: -46.073
Base-Backbone interact. energy: 1.358
local terms energy: -47.486137
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -7.713
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -1.167
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: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -302.511100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.511100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.511100 (E_RNA)
where:
Base-Base interactions energy: -208.316
where: short stacking energy: -84.797
Base-Backbone interact. energy: -0.316
local terms energy: -93.879407
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -21.917
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -24.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -302.997296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.997296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.997296 (E_RNA)
where:
Base-Base interactions energy: -202.788
where: short stacking energy: -80.619
Base-Backbone interact. energy: -1.524
local terms energy: -98.685431
where:
bonds (distance) C4'-P energy: -17.448
bonds (distance) P-C4' energy: -23.451
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -16.846
tors. eta vs tors. theta energy: -24.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -281.432833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.432833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.432833 (E_RNA)
where:
Base-Base interactions energy: -189.351
where: short stacking energy: -95.543
Base-Backbone interact. energy: -0.511
local terms energy: -91.570965
where:
bonds (distance) C4'-P energy: -14.044
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -13.083
tors. eta vs tors. theta energy: -28.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -282.004842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.004842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.004842 (E_RNA)
where:
Base-Base interactions energy: -188.229
where: short stacking energy: -88.183
Base-Backbone interact. energy: -0.803
local terms energy: -92.972484
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -15.353
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: 5, replica: 6
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -267.028671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.028671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.028671 (E_RNA)
where:
Base-Base interactions energy: -181.404
where: short stacking energy: -80.732
Base-Backbone interact. energy: -0.068
local terms energy: -85.555808
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -22.619
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: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -263.592508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.592508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.592508 (E_RNA)
where:
Base-Base interactions energy: -178.323
where: short stacking energy: -83.864
Base-Backbone interact. energy: -0.096
local terms energy: -85.173449
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -19.071
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -21.065
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: 10
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -243.839773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.839773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.839773 (E_RNA)
where:
Base-Base interactions energy: -158.470
where: short stacking energy: -74.661
Base-Backbone interact. energy: -0.819
local terms energy: -84.550866
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -20.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -103.374801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.374801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.374801 (E_RNA)
where:
Base-Base interactions energy: -35.529
where: short stacking energy: -35.439
Base-Backbone interact. energy: -0.237
local terms energy: -67.608627
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -8.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -108.631226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.631226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.631226 (E_RNA)
where:
Base-Base interactions energy: -50.656
where: short stacking energy: -32.971
Base-Backbone interact. energy: 1.062
local terms energy: -59.037956
where:
bonds (distance) C4'-P energy: -16.327
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -2.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -93.609870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.609870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.609870 (E_RNA)
where:
Base-Base interactions energy: -40.880
where: short stacking energy: -38.100
Base-Backbone interact. energy: 0.667
local terms energy: -53.396992
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -4.864
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -315.281186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.281186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.281186 (E_RNA)
where:
Base-Base interactions energy: -221.288
where: short stacking energy: -95.644
Base-Backbone interact. energy: -0.029
local terms energy: -93.963791
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -23.396
flat angles P-C4'-P energy: -14.891
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: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -305.263008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.263008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.263008 (E_RNA)
where:
Base-Base interactions energy: -215.523
where: short stacking energy: -83.396
Base-Backbone interact. energy: 0.318
local terms energy: -90.057574
where:
bonds (distance) C4'-P energy: -18.553
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -20.479
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -21.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -287.244687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.244687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.244687 (E_RNA)
where:
Base-Base interactions energy: -192.261
where: short stacking energy: -91.584
Base-Backbone interact. energy: -0.222
local terms energy: -94.761322
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -14.966
tors. eta vs tors. theta energy: -26.907
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: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -277.435136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.435136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.435136 (E_RNA)
where:
Base-Base interactions energy: -182.986
where: short stacking energy: -78.375
Base-Backbone interact. energy: -0.431
local terms energy: -94.018445
where:
bonds (distance) C4'-P energy: -22.043
bonds (distance) P-C4' energy: -18.712
flat angles C4'-P-C4' energy: -19.904
flat angles P-C4'-P energy: -14.528
tors. eta vs tors. theta energy: -18.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -269.849681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.849681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.849681 (E_RNA)
where:
Base-Base interactions energy: -175.372
where: short stacking energy: -82.463
Base-Backbone interact. energy: -0.051
local terms energy: -94.426557
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -14.164
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: 6, replica: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -274.499651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.499651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.499651 (E_RNA)
where:
Base-Base interactions energy: -192.607
where: short stacking energy: -83.384
Base-Backbone interact. energy: -0.161
local terms energy: -81.731500
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -14.351
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: 7, replica: 10
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -243.422283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.422283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.422283 (E_RNA)
where:
Base-Base interactions energy: -161.880
where: short stacking energy: -69.220
Base-Backbone interact. energy: -0.384
local terms energy: -81.158684
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -16.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -111.647454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.647454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.647454 (E_RNA)
where:
Base-Base interactions energy: -56.318
where: short stacking energy: -37.658
Base-Backbone interact. energy: 4.382
local terms energy: -59.710674
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -2.090
tors. eta vs tors. theta energy: -6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -107.495890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.495890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.495890 (E_RNA)
where:
Base-Base interactions energy: -46.965
where: short stacking energy: -32.321
Base-Backbone interact. energy: -0.235
local terms energy: -60.294980
where:
bonds (distance) C4'-P energy: -10.223
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: 0.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -93.486521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.486521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.486521 (E_RNA)
where:
Base-Base interactions energy: -33.630
where: short stacking energy: -30.048
Base-Backbone interact. energy: -1.803
local terms energy: -58.053440
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: 1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -316.416253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.416253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.416253 (E_RNA)
where:
Base-Base interactions energy: -217.266
where: short stacking energy: -93.668
Base-Backbone interact. energy: -0.135
local terms energy: -99.014606
where:
bonds (distance) C4'-P energy: -21.849
bonds (distance) P-C4' energy: -20.781
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -15.406
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: 2, replica: 7
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -306.847191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.847191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.847191 (E_RNA)
where:
Base-Base interactions energy: -215.054
where: short stacking energy: -91.469
Base-Backbone interact. energy: 0.244
local terms energy: -92.036926
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -20.085
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -21.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -281.503855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.503855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.503855 (E_RNA)
where:
Base-Base interactions energy: -195.162
where: short stacking energy: -79.973
Base-Backbone interact. energy: -0.917
local terms energy: -85.424538
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -20.319
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: 381
Temperature: 1.050000
Total energy: -279.390447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.390447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.390447 (E_RNA)
where:
Base-Base interactions energy: -182.250
where: short stacking energy: -89.753
Base-Backbone interact. energy: -0.179
local terms energy: -96.961567
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -22.953
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -25.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -262.503062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.503062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.503062 (E_RNA)
where:
Base-Base interactions energy: -175.371
where: short stacking energy: -80.705
Base-Backbone interact. energy: -0.721
local terms energy: -86.410442
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -21.634
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: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -261.315738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.315738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.315738 (E_RNA)
where:
Base-Base interactions energy: -178.358
where: short stacking energy: -72.818
Base-Backbone interact. energy: 0.809
local terms energy: -83.766120
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -18.920
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -16.459
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: 7, replica: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -250.507137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.507137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.507137 (E_RNA)
where:
Base-Base interactions energy: -170.215
where: short stacking energy: -78.354
Base-Backbone interact. energy: -0.002
local terms energy: -80.290070
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -15.641
flat angles C4'-P-C4' energy: -21.730
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -21.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -172.927961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.927961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.927961 (E_RNA)
where:
Base-Base interactions energy: -113.064
where: short stacking energy: -55.226
Base-Backbone interact. energy: -0.475
local terms energy: -59.389321
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -13.858
flat angles P-C4'-P energy: -7.703
tors. eta vs tors. theta energy: -11.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -93.362335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.362335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.362335 (E_RNA)
where:
Base-Base interactions energy: -36.846
where: short stacking energy: -32.492
Base-Backbone interact. energy: -0.271
local terms energy: -56.244548
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -3.893
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: 3
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -107.206656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.206656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.206656 (E_RNA)
where:
Base-Base interactions energy: -52.846
where: short stacking energy: -25.662
Base-Backbone interact. energy: 1.912
local terms energy: -56.273280
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -4.860
tors. eta vs tors. theta energy: -1.326
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: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -309.888276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.888276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.888276 (E_RNA)
where:
Base-Base interactions energy: -214.842
where: short stacking energy: -87.220
Base-Backbone interact. energy: -2.337
local terms energy: -92.708714
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -21.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -311.978704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.978704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.978704 (E_RNA)
where:
Base-Base interactions energy: -224.705
where: short stacking energy: -93.105
Base-Backbone interact. energy: -0.127
local terms energy: -87.145988
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -293.573206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.573206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.573206 (E_RNA)
where:
Base-Base interactions energy: -201.553
where: short stacking energy: -89.373
Base-Backbone interact. energy: -0.458
local terms energy: -91.562353
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -18.787
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -27.303
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: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -273.040923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.040923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.040923 (E_RNA)
where:
Base-Base interactions energy: -179.763
where: short stacking energy: -85.567
Base-Backbone interact. energy: -0.282
local terms energy: -92.996083
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -22.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -267.845208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.845208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.845208 (E_RNA)
where:
Base-Base interactions energy: -166.536
where: short stacking energy: -82.798
Base-Backbone interact. energy: -1.343
local terms energy: -99.966169
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -19.494
flat angles C4'-P-C4' energy: -22.807
flat angles P-C4'-P energy: -14.267
tors. eta vs tors. theta energy: -24.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -260.533800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.533800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.533800 (E_RNA)
where:
Base-Base interactions energy: -169.804
where: short stacking energy: -83.311
Base-Backbone interact. energy: -0.016
local terms energy: -90.713111
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -24.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -186.621309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.621309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.621309 (E_RNA)
where:
Base-Base interactions energy: -106.581
where: short stacking energy: -61.793
Base-Backbone interact. energy: -0.492
local terms energy: -79.548098
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -21.593
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -13.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -250.958437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.958437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.958437 (E_RNA)
where:
Base-Base interactions energy: -164.805
where: short stacking energy: -80.774
Base-Backbone interact. energy: 0.667
local terms energy: -86.820393
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -11.099
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: 9, replica: 3
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -95.625690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.625690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.625690 (E_RNA)
where:
Base-Base interactions energy: -29.971
where: short stacking energy: -29.971
Base-Backbone interact. energy: -0.865
local terms energy: -64.789879
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -89.286322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.286322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.286322 (E_RNA)
where:
Base-Base interactions energy: -36.675
where: short stacking energy: -35.404
Base-Backbone interact. energy: -0.265
local terms energy: -52.346300
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: 1.167
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: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -309.085917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.085917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.085917 (E_RNA)
where:
Base-Base interactions energy: -212.763
where: short stacking energy: -83.056
Base-Backbone interact. energy: -0.195
local terms energy: -96.128031
where:
bonds (distance) C4'-P energy: -19.324
bonds (distance) P-C4' energy: -20.113
flat angles C4'-P-C4' energy: -21.468
flat angles P-C4'-P energy: -16.002
tors. eta vs tors. theta energy: -19.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -308.323994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.323994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.323994 (E_RNA)
where:
Base-Base interactions energy: -212.671
where: short stacking energy: -93.801
Base-Backbone interact. energy: -0.038
local terms energy: -95.614800
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -19.378
flat angles C4'-P-C4' energy: -21.620
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -20.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -280.647273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.647273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.647273 (E_RNA)
where:
Base-Base interactions energy: -191.988
where: short stacking energy: -82.847
Base-Backbone interact. energy: -0.038
local terms energy: -88.622073
where:
bonds (distance) C4'-P energy: -21.866
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -24.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -271.687166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.687166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.687166 (E_RNA)
where:
Base-Base interactions energy: -184.356
where: short stacking energy: -87.838
Base-Backbone interact. energy: 0.009
local terms energy: -87.340204
where:
bonds (distance) C4'-P energy: -19.953
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -13.788
tors. eta vs tors. theta energy: -23.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -272.531878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.531878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.531878 (E_RNA)
where:
Base-Base interactions energy: -183.101
where: short stacking energy: -95.758
Base-Backbone interact. energy: -1.792
local terms energy: -87.639596
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -13.991
flat angles C4'-P-C4' energy: -22.660
flat angles P-C4'-P energy: -12.987
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -257.205403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.205403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.205403 (E_RNA)
where:
Base-Base interactions energy: -172.482
where: short stacking energy: -80.005
Base-Backbone interact. energy: -0.073
local terms energy: -84.649857
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -21.724
flat angles P-C4'-P energy: -13.094
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: 5
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -195.002538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.002538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.002538 (E_RNA)
where:
Base-Base interactions energy: -126.795
where: short stacking energy: -49.449
Base-Backbone interact. energy: -0.581
local terms energy: -67.625718
where:
bonds (distance) C4'-P energy: -12.149
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -10.975
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: 2
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -255.260016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.260016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.260016 (E_RNA)
where:
Base-Base interactions energy: -171.661
where: short stacking energy: -75.037
Base-Backbone interact. energy: -0.082
local terms energy: -83.517400
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -93.068136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.068136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.068136 (E_RNA)
where:
Base-Base interactions energy: -32.413
where: short stacking energy: -32.413
Base-Backbone interact. energy: -0.076
local terms energy: -60.578742
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -111.032994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.032994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.032994 (E_RNA)
where:
Base-Base interactions energy: -46.091
where: short stacking energy: -42.565
Base-Backbone interact. energy: -0.276
local terms energy: -64.666081
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -12.993
tors. eta vs tors. theta energy: -4.436
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: 7
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -312.842245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.842245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.842245 (E_RNA)
where:
Base-Base interactions energy: -216.737
where: short stacking energy: -87.953
Base-Backbone interact. energy: -0.863
local terms energy: -95.242218
where:
bonds (distance) C4'-P energy: -18.236
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -16.679
tors. eta vs tors. theta energy: -24.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -307.921801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.921801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.921801 (E_RNA)
where:
Base-Base interactions energy: -216.516
where: short stacking energy: -86.630
Base-Backbone interact. energy: -0.355
local terms energy: -91.050886
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -16.589
tors. eta vs tors. theta energy: -17.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -281.701348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.701348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.701348 (E_RNA)
where:
Base-Base interactions energy: -190.156
where: short stacking energy: -81.115
Base-Backbone interact. energy: 0.150
local terms energy: -91.695470
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -20.913
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -24.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -285.467267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.467267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.467267 (E_RNA)
where:
Base-Base interactions energy: -193.353
where: short stacking energy: -86.592
Base-Backbone interact. energy: -1.695
local terms energy: -90.418951
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -16.920
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -243.978039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.978039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.978039 (E_RNA)
where:
Base-Base interactions energy: -154.625
where: short stacking energy: -71.413
Base-Backbone interact. energy: -1.446
local terms energy: -87.906861
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -24.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -252.853543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.853543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.853543 (E_RNA)
where:
Base-Base interactions energy: -165.955
where: short stacking energy: -84.888
Base-Backbone interact. energy: -0.067
local terms energy: -86.831265
where:
bonds (distance) C4'-P energy: -15.325
bonds (distance) P-C4' energy: -12.481
flat angles C4'-P-C4' energy: -21.404
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -24.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -263.399119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.399119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.399119 (E_RNA)
where:
Base-Base interactions energy: -167.839
where: short stacking energy: -78.110
Base-Backbone interact. energy: -0.916
local terms energy: -94.643545
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -24.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -214.690806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.690806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.690806 (E_RNA)
where:
Base-Base interactions energy: -139.914
where: short stacking energy: -57.981
Base-Backbone interact. energy: -0.119
local terms energy: -74.658625
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -10.645
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -13.478
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: 9, replica: 1
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -100.300315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.300315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.300315 (E_RNA)
where:
Base-Base interactions energy: -32.861
where: short stacking energy: -27.120
Base-Backbone interact. energy: -0.243
local terms energy: -67.196908
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -6.905
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: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -100.630758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.630758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.630758 (E_RNA)
where:
Base-Base interactions energy: -43.586
where: short stacking energy: -39.846
Base-Backbone interact. energy: 0.032
local terms energy: -57.076426
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -2.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -306.159444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.159444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.159444 (E_RNA)
where:
Base-Base interactions energy: -209.523
where: short stacking energy: -83.782
Base-Backbone interact. energy: -0.530
local terms energy: -96.106503
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -21.834
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -19.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -304.314550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.314550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.314550 (E_RNA)
where:
Base-Base interactions energy: -217.762
where: short stacking energy: -87.211
Base-Backbone interact. energy: -0.191
local terms energy: -86.362029
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -21.659
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: 6
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -290.321636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.321636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.321636 (E_RNA)
where:
Base-Base interactions energy: -185.725
where: short stacking energy: -91.035
Base-Backbone interact. energy: -0.360
local terms energy: -104.237232
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -17.929
tors. eta vs tors. theta energy: -22.570
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: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -292.678831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.678831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.678831 (E_RNA)
where:
Base-Base interactions energy: -201.916
where: short stacking energy: -95.705
Base-Backbone interact. energy: -0.154
local terms energy: -90.608618
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -25.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -277.649981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.649981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.649981 (E_RNA)
where:
Base-Base interactions energy: -174.730
where: short stacking energy: -81.459
Base-Backbone interact. energy: -0.005
local terms energy: -102.915404
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -17.033
tors. eta vs tors. theta energy: -26.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -258.250600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.250600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.250600 (E_RNA)
where:
Base-Base interactions energy: -168.858
where: short stacking energy: -83.601
Base-Backbone interact. energy: -0.054
local terms energy: -89.339074
where:
bonds (distance) C4'-P energy: -19.170
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -24.487
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: 8
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -259.971432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.971432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.971432 (E_RNA)
where:
Base-Base interactions energy: -169.909
where: short stacking energy: -86.582
Base-Backbone interact. energy: -0.100
local terms energy: -89.961864
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -16.023
flat angles P-C4'-P energy: -16.108
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: 8, replica: 5
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -202.707687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.707687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.707687 (E_RNA)
where:
Base-Base interactions energy: -129.297
where: short stacking energy: -57.340
Base-Backbone interact. energy: -0.194
local terms energy: -73.216707
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -17.569
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -12.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -131.001975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.001975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.001975 (E_RNA)
where:
Base-Base interactions energy: -59.869
where: short stacking energy: -42.849
Base-Backbone interact. energy: -0.321
local terms energy: -70.811715
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -11.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -96.019045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.019045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.019045 (E_RNA)
where:
Base-Base interactions energy: -41.811
where: short stacking energy: -40.182
Base-Backbone interact. energy: 0.016
local terms energy: -54.223763
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -302.661915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.661915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.661915 (E_RNA)
where:
Base-Base interactions energy: -219.542
where: short stacking energy: -82.952
Base-Backbone interact. energy: -0.962
local terms energy: -82.157916
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -20.347
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -20.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -308.571618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.571618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.571618 (E_RNA)
where:
Base-Base interactions energy: -211.357
where: short stacking energy: -83.418
Base-Backbone interact. energy: -0.498
local terms energy: -96.716627
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -21.733
flat angles P-C4'-P energy: -16.136
tors. eta vs tors. theta energy: -20.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -288.052083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.052083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.052083 (E_RNA)
where:
Base-Base interactions energy: -201.823
where: short stacking energy: -77.172
Base-Backbone interact. energy: 0.231
local terms energy: -86.459996
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -15.898
tors. eta vs tors. theta energy: -20.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -275.067366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.067366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.067366 (E_RNA)
where:
Base-Base interactions energy: -179.819
where: short stacking energy: -82.722
Base-Backbone interact. energy: -0.004
local terms energy: -95.244183
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -24.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -269.932862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.932862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.932862 (E_RNA)
where:
Base-Base interactions energy: -172.070
where: short stacking energy: -86.037
Base-Backbone interact. energy: -1.391
local terms energy: -96.472681
where:
bonds (distance) C4'-P energy: -20.300
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -16.767
tors. eta vs tors. theta energy: -26.180
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: 10
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -257.420776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.420776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.420776 (E_RNA)
where:
Base-Base interactions energy: -176.457
where: short stacking energy: -89.952
Base-Backbone interact. energy: -0.038
local terms energy: -80.925597
where:
bonds (distance) C4'-P energy: -15.857
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -18.064
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -22.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -258.774851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.774851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.774851 (E_RNA)
where:
Base-Base interactions energy: -166.875
where: short stacking energy: -77.842
Base-Backbone interact. energy: -0.100
local terms energy: -91.799758
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -20.528
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: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -208.536294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.536294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.536294 (E_RNA)
where:
Base-Base interactions energy: -126.182
where: short stacking energy: -66.871
Base-Backbone interact. energy: 0.240
local terms energy: -82.593440
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -99.560110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.560110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.560110 (E_RNA)
where:
Base-Base interactions energy: -44.855
where: short stacking energy: -40.606
Base-Backbone interact. energy: -0.325
local terms energy: -54.379526
where:
bonds (distance) C4'-P energy: -7.722
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -7.851
tors. eta vs tors. theta energy: -8.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -100.446759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.446759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.446759 (E_RNA)
where:
Base-Base interactions energy: -39.413
where: short stacking energy: -31.657
Base-Backbone interact. energy: -0.089
local terms energy: -60.944864
where:
bonds (distance) C4'-P energy: -11.508
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -10.055
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: 7
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -308.617622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.617622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.617622 (E_RNA)
where:
Base-Base interactions energy: -219.392
where: short stacking energy: -86.049
Base-Backbone interact. energy: -0.337
local terms energy: -88.888080
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -18.696
flat angles P-C4'-P energy: -15.997
tors. eta vs tors. theta energy: -19.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -302.586319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.586319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.586319 (E_RNA)
where:
Base-Base interactions energy: -212.214
where: short stacking energy: -87.607
Base-Backbone interact. energy: 0.483
local terms energy: -90.855843
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -21.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -299.000023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.000023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.000023 (E_RNA)
where:
Base-Base interactions energy: -206.212
where: short stacking energy: -85.129
Base-Backbone interact. energy: 0.073
local terms energy: -92.860489
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -22.857
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -19.324
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: 4, replica: 2
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -270.584317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.584317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.584317 (E_RNA)
where:
Base-Base interactions energy: -175.154
where: short stacking energy: -79.031
Base-Backbone interact. energy: -0.106
local terms energy: -95.324387
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -24.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -271.649195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.649195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.649195 (E_RNA)
where:
Base-Base interactions energy: -185.790
where: short stacking energy: -81.614
Base-Backbone interact. energy: -0.505
local terms energy: -85.353938
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -22.595
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -23.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -253.774520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.774520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.774520 (E_RNA)
where:
Base-Base interactions energy: -171.629
where: short stacking energy: -87.256
Base-Backbone interact. energy: -0.174
local terms energy: -81.971890
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -24.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -268.627375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.627375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.627375 (E_RNA)
where:
Base-Base interactions energy: -181.602
where: short stacking energy: -78.244
Base-Backbone interact. energy: -0.274
local terms energy: -86.751531
where:
bonds (distance) C4'-P energy: -13.532
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -22.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -221.195357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.195357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.195357 (E_RNA)
where:
Base-Base interactions energy: -132.096
where: short stacking energy: -65.853
Base-Backbone interact. energy: -0.213
local terms energy: -88.886796
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -7.988
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: 9, replica: 3
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -116.080214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.080214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.080214 (E_RNA)
where:
Base-Base interactions energy: -53.982
where: short stacking energy: -26.751
Base-Backbone interact. energy: -0.302
local terms energy: -61.795674
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -18.813
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -102.893928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.893928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.893928 (E_RNA)
where:
Base-Base interactions energy: -39.468
where: short stacking energy: -26.187
Base-Backbone interact. energy: -0.386
local terms energy: -63.039800
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -7.244
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: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -309.181321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.181321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.181321 (E_RNA)
where:
Base-Base interactions energy: -217.806
where: short stacking energy: -86.998
Base-Backbone interact. energy: -0.059
local terms energy: -91.316218
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -298.842613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.842613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.842613 (E_RNA)
where:
Base-Base interactions energy: -202.894
where: short stacking energy: -79.975
Base-Backbone interact. energy: 0.096
local terms energy: -96.044845
where:
bonds (distance) C4'-P energy: -20.426
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -14.984
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: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -299.407236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.407236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.407236 (E_RNA)
where:
Base-Base interactions energy: -200.213
where: short stacking energy: -89.624
Base-Backbone interact. energy: -0.008
local terms energy: -99.186653
where:
bonds (distance) C4'-P energy: -21.368
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -25.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -275.318361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.318361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.318361 (E_RNA)
where:
Base-Base interactions energy: -183.821
where: short stacking energy: -94.096
Base-Backbone interact. energy: -0.009
local terms energy: -91.488837
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -25.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -285.450256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.450256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.450256 (E_RNA)
where:
Base-Base interactions energy: -196.432
where: short stacking energy: -80.241
Base-Backbone interact. energy: -0.031
local terms energy: -88.986690
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -19.859
flat angles C4'-P-C4' energy: -14.538
flat angles P-C4'-P energy: -13.954
tors. eta vs tors. theta energy: -21.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -288.097607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.097607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.097607 (E_RNA)
where:
Base-Base interactions energy: -197.561
where: short stacking energy: -93.387
Base-Backbone interact. energy: -0.013
local terms energy: -90.524015
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -26.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -257.409101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.409101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.409101 (E_RNA)
where:
Base-Base interactions energy: -182.957
where: short stacking energy: -86.753
Base-Backbone interact. energy: -0.004
local terms energy: -74.447324
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -14.252
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -26.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -236.940564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.940564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.940564 (E_RNA)
where:
Base-Base interactions energy: -152.947
where: short stacking energy: -67.555
Base-Backbone interact. energy: -0.009
local terms energy: -83.984633
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -7.832
tors. eta vs tors. theta energy: -22.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -107.736333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.736333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.736333 (E_RNA)
where:
Base-Base interactions energy: -51.210
where: short stacking energy: -33.253
Base-Backbone interact. energy: -0.063
local terms energy: -56.462701
where:
bonds (distance) C4'-P energy: -11.184
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -3.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -107.565209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.565209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.565209 (E_RNA)
where:
Base-Base interactions energy: -50.675
where: short stacking energy: -19.379
Base-Backbone interact. energy: -0.221
local terms energy: -56.668808
where:
bonds (distance) C4'-P energy: -19.841
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -13.621
flat angles P-C4'-P energy: -8.685
tors. eta vs tors. theta energy: 1.051
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: 1, replica: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -305.891887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.891887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.891887 (E_RNA)
where:
Base-Base interactions energy: -214.238
where: short stacking energy: -86.770
Base-Backbone interact. energy: -0.655
local terms energy: -90.998990
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -15.472
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -17.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -304.871937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.871937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.871937 (E_RNA)
where:
Base-Base interactions energy: -219.541
where: short stacking energy: -86.693
Base-Backbone interact. energy: -0.663
local terms energy: -84.667877
where:
bonds (distance) C4'-P energy: -19.567
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -21.850
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: 389
Temperature: 1.000000
Total energy: -305.611822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.611822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.611822 (E_RNA)
where:
Base-Base interactions energy: -210.421
where: short stacking energy: -93.813
Base-Backbone interact. energy: -0.004
local terms energy: -95.186824
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -19.059
flat angles P-C4'-P energy: -17.115
tors. eta vs tors. theta energy: -25.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -290.329813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.329813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.329813 (E_RNA)
where:
Base-Base interactions energy: -197.967
where: short stacking energy: -90.527
Base-Backbone interact. energy: -0.032
local terms energy: -92.330371
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -14.397
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: 2
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -266.808087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.808087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.808087 (E_RNA)
where:
Base-Base interactions energy: -177.659
where: short stacking energy: -82.737
Base-Backbone interact. energy: -0.028
local terms energy: -89.120467
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -22.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -255.795871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.795871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.795871 (E_RNA)
where:
Base-Base interactions energy: -166.134
where: short stacking energy: -83.813
Base-Backbone interact. energy: -0.380
local terms energy: -89.281818
where:
bonds (distance) C4'-P energy: -19.584
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -21.179
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: 389
Temperature: 1.200000
Total energy: -271.558024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.558024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.558024 (E_RNA)
where:
Base-Base interactions energy: -175.756
where: short stacking energy: -85.657
Base-Backbone interact. energy: -0.687
local terms energy: -95.115778
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -16.772
tors. eta vs tors. theta energy: -25.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -258.853405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.853405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.853405 (E_RNA)
where:
Base-Base interactions energy: -183.980
where: short stacking energy: -87.809
Base-Backbone interact. energy: -0.633
local terms energy: -74.240510
where:
bonds (distance) C4'-P energy: -15.217
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -12.160
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -24.632
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: 9, replica: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -116.863846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.863846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.863846 (E_RNA)
where:
Base-Base interactions energy: -55.212
where: short stacking energy: -39.524
Base-Backbone interact. energy: -0.120
local terms energy: -61.531851
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -9.976
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -8.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -120.844022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.844022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.844022 (E_RNA)
where:
Base-Base interactions energy: -68.084
where: short stacking energy: -29.973
Base-Backbone interact. energy: -1.057
local terms energy: -51.702777
where:
bonds (distance) C4'-P energy: -10.488
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: 1.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -305.871580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.871580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.871580 (E_RNA)
where:
Base-Base interactions energy: -209.659
where: short stacking energy: -83.126
Base-Backbone interact. energy: -1.052
local terms energy: -95.160928
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -20.556
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: 9
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -297.141276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.141276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.141276 (E_RNA)
where:
Base-Base interactions energy: -205.799
where: short stacking energy: -80.025
Base-Backbone interact. energy: -0.589
local terms energy: -90.753045
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -288.640008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.640008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.640008 (E_RNA)
where:
Base-Base interactions energy: -188.526
where: short stacking energy: -98.305
Base-Backbone interact. energy: -0.581
local terms energy: -99.532681
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -20.636
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -29.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -277.666549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.666549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.666549 (E_RNA)
where:
Base-Base interactions energy: -188.455
where: short stacking energy: -93.542
Base-Backbone interact. energy: -0.160
local terms energy: -89.052021
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -17.222
flat angles P-C4'-P energy: -15.745
tors. eta vs tors. theta energy: -26.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -267.819099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.819099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.819099 (E_RNA)
where:
Base-Base interactions energy: -171.074
where: short stacking energy: -87.002
Base-Backbone interact. energy: -0.117
local terms energy: -96.628415
where:
bonds (distance) C4'-P energy: -19.865
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -28.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -260.338207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.338207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.338207 (E_RNA)
where:
Base-Base interactions energy: -180.081
where: short stacking energy: -81.911
Base-Backbone interact. energy: -0.001
local terms energy: -80.255712
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -10.911
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: 7, replica: 5
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -248.214819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.214819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.214819 (E_RNA)
where:
Base-Base interactions energy: -163.853
where: short stacking energy: -75.967
Base-Backbone interact. energy: 0.072
local terms energy: -84.433604
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -24.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -258.232627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.232627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.232627 (E_RNA)
where:
Base-Base interactions energy: -170.306
where: short stacking energy: -76.792
Base-Backbone interact. energy: -0.004
local terms energy: -87.922003
where:
bonds (distance) C4'-P energy: -12.693
bonds (distance) P-C4' energy: -19.997
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -102.233860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.233860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.233860 (E_RNA)
where:
Base-Base interactions energy: -36.444
where: short stacking energy: -21.764
Base-Backbone interact. energy: -0.172
local terms energy: -65.618727
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -21.654
flat angles P-C4'-P energy: -9.439
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: 10, replica: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -136.437442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.437442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.437442 (E_RNA)
where:
Base-Base interactions energy: -77.523
where: short stacking energy: -38.524
Base-Backbone interact. energy: -0.147
local terms energy: -58.767051
where:
bonds (distance) C4'-P energy: -7.148
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -309.796969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.796969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.796969 (E_RNA)
where:
Base-Base interactions energy: -221.406
where: short stacking energy: -86.815
Base-Backbone interact. energy: -0.703
local terms energy: -87.688310
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -19.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -290.322631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.322631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.322631 (E_RNA)
where:
Base-Base interactions energy: -190.484
where: short stacking energy: -95.048
Base-Backbone interact. energy: -0.011
local terms energy: -99.827004
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -26.181
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: 9
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -291.866137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.866137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.866137 (E_RNA)
where:
Base-Base interactions energy: -206.897
where: short stacking energy: -78.871
Base-Backbone interact. energy: -0.214
local terms energy: -84.754827
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -20.426
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -17.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -274.501280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.501280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.501280 (E_RNA)
where:
Base-Base interactions energy: -181.219
where: short stacking energy: -86.151
Base-Backbone interact. energy: -0.985
local terms energy: -92.297811
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -22.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -262.723540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.723540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.723540 (E_RNA)
where:
Base-Base interactions energy: -180.760
where: short stacking energy: -73.137
Base-Backbone interact. energy: -0.090
local terms energy: -81.872965
where:
bonds (distance) C4'-P energy: -17.933
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -9.862
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: 6, replica: 2
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -273.156952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.156952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.156952 (E_RNA)
where:
Base-Base interactions energy: -194.269
where: short stacking energy: -73.028
Base-Backbone interact. energy: -0.201
local terms energy: -78.687453
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -251.935996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.935996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.935996 (E_RNA)
where:
Base-Base interactions energy: -173.236
where: short stacking energy: -75.669
Base-Backbone interact. energy: -1.980
local terms energy: -76.720049
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -18.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -243.732740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.732740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.732740 (E_RNA)
where:
Base-Base interactions energy: -162.907
where: short stacking energy: -70.911
Base-Backbone interact. energy: -0.258
local terms energy: -80.567516
where:
bonds (distance) C4'-P energy: -10.932
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -150.350954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.350954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.350954 (E_RNA)
where:
Base-Base interactions energy: -88.291
where: short stacking energy: -45.327
Base-Backbone interact. energy: -0.834
local terms energy: -61.226545
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -8.384
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: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -152.102090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.102090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.102090 (E_RNA)
where:
Base-Base interactions energy: -100.591
where: short stacking energy: -51.661
Base-Backbone interact. energy: -1.269
local terms energy: -50.241831
where:
bonds (distance) C4'-P energy: -10.790
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -10.637
flat angles P-C4'-P energy: -5.608
tors. eta vs tors. theta energy: -7.871
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: 1, replica: 7
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -306.529118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.529118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.529118 (E_RNA)
where:
Base-Base interactions energy: -213.579
where: short stacking energy: -81.670
Base-Backbone interact. energy: -0.357
local terms energy: -92.592776
where:
bonds (distance) C4'-P energy: -18.578
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -21.652
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: 392
Temperature: 0.950000
Total energy: -288.150232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.150232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.150232 (E_RNA)
where:
Base-Base interactions energy: -188.823
where: short stacking energy: -92.697
Base-Backbone interact. energy: -0.264
local terms energy: -99.063431
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -21.819
flat angles P-C4'-P energy: -16.851
tors. eta vs tors. theta energy: -23.148
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: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -297.090845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.090845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.090845 (E_RNA)
where:
Base-Base interactions energy: -208.952
where: short stacking energy: -77.934
Base-Backbone interact. energy: -0.074
local terms energy: -88.064886
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -22.761
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -15.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -277.145620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.145620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.145620 (E_RNA)
where:
Base-Base interactions energy: -182.874
where: short stacking energy: -91.777
Base-Backbone interact. energy: -0.113
local terms energy: -94.158534
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -22.625
flat angles P-C4'-P energy: -12.116
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: 2
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -282.469662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.469662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.469662 (E_RNA)
where:
Base-Base interactions energy: -194.789
where: short stacking energy: -86.635
Base-Backbone interact. energy: -0.094
local terms energy: -87.586988
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -10.969
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: 6, replica: 6
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -254.824128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.824128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.824128 (E_RNA)
where:
Base-Base interactions energy: -162.540
where: short stacking energy: -71.968
Base-Backbone interact. energy: -0.258
local terms energy: -92.025337
where:
bonds (distance) C4'-P energy: -19.730
bonds (distance) P-C4' energy: -21.010
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -20.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -261.656965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.656965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.656965 (E_RNA)
where:
Base-Base interactions energy: -168.290
where: short stacking energy: -75.964
Base-Backbone interact. energy: -0.136
local terms energy: -93.230931
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -21.560
flat angles P-C4'-P energy: -14.648
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: 8, replica: 5
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -239.842507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.842507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.842507 (E_RNA)
where:
Base-Base interactions energy: -163.251
where: short stacking energy: -78.626
Base-Backbone interact. energy: -0.147
local terms energy: -76.444666
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -5.964
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -21.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -136.140776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.140776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.140776 (E_RNA)
where:
Base-Base interactions energy: -75.062
where: short stacking energy: -32.848
Base-Backbone interact. energy: 1.126
local terms energy: -62.205041
where:
bonds (distance) C4'-P energy: -16.528
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -12.833
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -91.633354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.633354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.633354 (E_RNA)
where:
Base-Base interactions energy: -32.516
where: short stacking energy: -23.361
Base-Backbone interact. energy: -0.520
local terms energy: -58.597879
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -306.483904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.483904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.483904 (E_RNA)
where:
Base-Base interactions energy: -209.577
where: short stacking energy: -86.701
Base-Backbone interact. energy: -0.375
local terms energy: -96.531970
where:
bonds (distance) C4'-P energy: -20.561
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -15.280
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: 2, replica: 9
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -310.108964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.108964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.108964 (E_RNA)
where:
Base-Base interactions energy: -213.389
where: short stacking energy: -86.323
Base-Backbone interact. energy: -0.936
local terms energy: -95.784425
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -21.127
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -12.418
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: 3, replica: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -282.736894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.736894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.736894 (E_RNA)
where:
Base-Base interactions energy: -185.768
where: short stacking energy: -88.570
Base-Backbone interact. energy: -0.022
local terms energy: -96.946526
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -22.991
flat angles P-C4'-P energy: -13.764
tors. eta vs tors. theta energy: -21.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -294.636544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.636544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.636544 (E_RNA)
where:
Base-Base interactions energy: -201.391
where: short stacking energy: -89.499
Base-Backbone interact. energy: -0.158
local terms energy: -93.087441
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -23.144
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -24.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -270.040958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.040958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.040958 (E_RNA)
where:
Base-Base interactions energy: -175.436
where: short stacking energy: -87.707
Base-Backbone interact. energy: -0.071
local terms energy: -94.534572
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -24.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -265.155320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.155320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.155320 (E_RNA)
where:
Base-Base interactions energy: -167.902
where: short stacking energy: -80.245
Base-Backbone interact. energy: -0.387
local terms energy: -96.865908
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -20.821
flat angles P-C4'-P energy: -18.068
tors. eta vs tors. theta energy: -27.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -263.481801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.481801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.481801 (E_RNA)
where:
Base-Base interactions energy: -171.157
where: short stacking energy: -86.459
Base-Backbone interact. energy: -0.043
local terms energy: -92.282150
where:
bonds (distance) C4'-P energy: -16.059
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -10.916
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: 8, replica: 5
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -237.445621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.445621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.445621 (E_RNA)
where:
Base-Base interactions energy: -157.719
where: short stacking energy: -78.062
Base-Backbone interact. energy: -0.035
local terms energy: -79.691322
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -19.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -101.753329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.753329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.753329 (E_RNA)
where:
Base-Base interactions energy: -35.975
where: short stacking energy: -34.007
Base-Backbone interact. energy: -0.076
local terms energy: -65.702386
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -4.297
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: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -111.756915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.756915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.756915 (E_RNA)
where:
Base-Base interactions energy: -54.941
where: short stacking energy: -28.575
Base-Backbone interact. energy: -0.122
local terms energy: -56.694483
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -5.265
tors. eta vs tors. theta energy: -3.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -308.945663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.945663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.945663 (E_RNA)
where:
Base-Base interactions energy: -219.251
where: short stacking energy: -87.496
Base-Backbone interact. energy: 1.198
local terms energy: -90.892991
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -20.841
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -18.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -305.345843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.345843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.345843 (E_RNA)
where:
Base-Base interactions energy: -213.744
where: short stacking energy: -86.336
Base-Backbone interact. energy: 0.151
local terms energy: -91.753591
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -22.559
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -21.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -296.486571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.486571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.486571 (E_RNA)
where:
Base-Base interactions energy: -197.999
where: short stacking energy: -79.123
Base-Backbone interact. energy: -1.222
local terms energy: -97.265685
where:
bonds (distance) C4'-P energy: -22.035
bonds (distance) P-C4' energy: -21.258
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -23.312
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: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -276.330148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.330148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.330148 (E_RNA)
where:
Base-Base interactions energy: -183.771
where: short stacking energy: -85.669
Base-Backbone interact. energy: 1.239
local terms energy: -93.798002
where:
bonds (distance) C4'-P energy: -18.810
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -16.494
tors. eta vs tors. theta energy: -24.700
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: 10
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -271.841196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.841196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.841196 (E_RNA)
where:
Base-Base interactions energy: -180.934
where: short stacking energy: -89.574
Base-Backbone interact. energy: -0.774
local terms energy: -90.133666
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -22.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -262.221748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.221748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.221748 (E_RNA)
where:
Base-Base interactions energy: -183.203
where: short stacking energy: -74.703
Base-Backbone interact. energy: -0.391
local terms energy: -78.627106
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -17.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -255.141036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.141036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.141036 (E_RNA)
where:
Base-Base interactions energy: -169.009
where: short stacking energy: -82.267
Base-Backbone interact. energy: -0.277
local terms energy: -85.855835
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -25.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -253.581053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.581053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.581053 (E_RNA)
where:
Base-Base interactions energy: -161.423
where: short stacking energy: -71.497
Base-Backbone interact. energy: -0.193
local terms energy: -91.965065
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -21.477
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -21.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -132.287952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.287952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.287952 (E_RNA)
where:
Base-Base interactions energy: -66.093
where: short stacking energy: -36.080
Base-Backbone interact. energy: -0.168
local terms energy: -66.026766
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -16.592
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -102.743969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.743969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.743969 (E_RNA)
where:
Base-Base interactions energy: -39.282
where: short stacking energy: -39.282
Base-Backbone interact. energy: -0.051
local terms energy: -63.410462
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -6.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -304.853763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.853763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.853763 (E_RNA)
where:
Base-Base interactions energy: -201.374
where: short stacking energy: -80.002
Base-Backbone interact. energy: -0.828
local terms energy: -102.651099
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -22.370
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -15.627
tors. eta vs tors. theta energy: -23.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -304.096366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.096366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.096366 (E_RNA)
where:
Base-Base interactions energy: -204.005
where: short stacking energy: -87.184
Base-Backbone interact. energy: -0.215
local terms energy: -99.876295
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -27.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -296.402479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.402479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.402479 (E_RNA)
where:
Base-Base interactions energy: -211.944
where: short stacking energy: -90.638
Base-Backbone interact. energy: -1.664
local terms energy: -82.794207
where:
bonds (distance) C4'-P energy: -14.841
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -21.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -278.585942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.585942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.585942 (E_RNA)
where:
Base-Base interactions energy: -181.269
where: short stacking energy: -83.835
Base-Backbone interact. energy: -0.638
local terms energy: -96.679269
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -23.057
flat angles C4'-P-C4' energy: -18.885
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -25.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -275.910863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.910863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.910863 (E_RNA)
where:
Base-Base interactions energy: -177.610
where: short stacking energy: -89.405
Base-Backbone interact. energy: -0.239
local terms energy: -98.061859
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -23.886
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -25.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -271.714159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.714159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.714159 (E_RNA)
where:
Base-Base interactions energy: -181.905
where: short stacking energy: -77.832
Base-Backbone interact. energy: -0.257
local terms energy: -89.552304
where:
bonds (distance) C4'-P energy: -20.136
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -20.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -252.675551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.675551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.675551 (E_RNA)
where:
Base-Base interactions energy: -160.240
where: short stacking energy: -61.935
Base-Backbone interact. energy: -1.234
local terms energy: -91.201702
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -18.318
flat angles P-C4'-P energy: -16.746
tors. eta vs tors. theta energy: -18.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -246.899192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.899192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.899192 (E_RNA)
where:
Base-Base interactions energy: -168.403
where: short stacking energy: -76.531
Base-Backbone interact. energy: -1.795
local terms energy: -76.701658
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -9.573
flat angles P-C4'-P energy: -11.407
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: 9, replica: 1
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -146.881685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.881685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.881685 (E_RNA)
where:
Base-Base interactions energy: -87.483
where: short stacking energy: -51.270
Base-Backbone interact. energy: -0.240
local terms energy: -59.158076
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -13.353
flat angles C4'-P-C4' energy: -12.272
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -94.803544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.803544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.803544 (E_RNA)
where:
Base-Base interactions energy: -42.858
where: short stacking energy: -42.858
Base-Backbone interact. energy: -0.305
local terms energy: -51.641149
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -10.304
flat angles C4'-P-C4' energy: -13.071
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -5.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -312.031980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.031980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.031980 (E_RNA)
where:
Base-Base interactions energy: -211.512
where: short stacking energy: -96.022
Base-Backbone interact. energy: -0.005
local terms energy: -100.514736
where:
bonds (distance) C4'-P energy: -18.583
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -21.190
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -24.642
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: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -311.978949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.978949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.978949 (E_RNA)
where:
Base-Base interactions energy: -216.441
where: short stacking energy: -87.647
Base-Backbone interact. energy: -0.179
local terms energy: -95.358311
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -21.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -274.000450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.000450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.000450 (E_RNA)
where:
Base-Base interactions energy: -180.835
where: short stacking energy: -82.544
Base-Backbone interact. energy: -0.144
local terms energy: -93.022044
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -21.670
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -24.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -287.887468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.887468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.887468 (E_RNA)
where:
Base-Base interactions energy: -192.526
where: short stacking energy: -75.997
Base-Backbone interact. energy: -1.190
local terms energy: -94.171192
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -21.378
flat angles P-C4'-P energy: -15.555
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: 5, replica: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -275.236221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.236221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.236221 (E_RNA)
where:
Base-Base interactions energy: -191.204
where: short stacking energy: -89.872
Base-Backbone interact. energy: -0.062
local terms energy: -83.969309
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -8.248
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: 6, replica: 10
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -269.092179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.092179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.092179 (E_RNA)
where:
Base-Base interactions energy: -177.062
where: short stacking energy: -82.784
Base-Backbone interact. energy: -0.617
local terms energy: -91.413122
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -24.956
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: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -250.128127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.128127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.128127 (E_RNA)
where:
Base-Base interactions energy: -169.321
where: short stacking energy: -79.113
Base-Backbone interact. energy: -0.332
local terms energy: -80.475918
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -12.167
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: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -246.118330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.118330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.118330 (E_RNA)
where:
Base-Base interactions energy: -158.580
where: short stacking energy: -77.346
Base-Backbone interact. energy: -0.006
local terms energy: -87.532389
where:
bonds (distance) C4'-P energy: -21.041
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -20.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -102.044729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.044729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.044729 (E_RNA)
where:
Base-Base interactions energy: -38.427
where: short stacking energy: -30.588
Base-Backbone interact. energy: 0.339
local terms energy: -63.956339
where:
bonds (distance) C4'-P energy: -18.533
bonds (distance) P-C4' energy: -21.319
flat angles C4'-P-C4' energy: -12.739
flat angles P-C4'-P energy: -12.908
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: 1
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -143.728489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.728489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.728489 (E_RNA)
where:
Base-Base interactions energy: -81.581
where: short stacking energy: -39.264
Base-Backbone interact. energy: -0.233
local terms energy: -61.913996
where:
bonds (distance) C4'-P energy: -18.044
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -310.115708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.115708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.115708 (E_RNA)
where:
Base-Base interactions energy: -215.082
where: short stacking energy: -96.431
Base-Backbone interact. energy: -0.001
local terms energy: -95.032469
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -26.493
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: 2, replica: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -301.499625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.499625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.499625 (E_RNA)
where:
Base-Base interactions energy: -211.128
where: short stacking energy: -86.821
Base-Backbone interact. energy: 0.404
local terms energy: -90.776238
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -280.136278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.136278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.136278 (E_RNA)
where:
Base-Base interactions energy: -180.380
where: short stacking energy: -93.093
Base-Backbone interact. energy: -0.004
local terms energy: -99.752969
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -26.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -293.709004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.709004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.709004 (E_RNA)
where:
Base-Base interactions energy: -204.163
where: short stacking energy: -83.164
Base-Backbone interact. energy: -0.377
local terms energy: -89.168507
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -18.817
flat angles P-C4'-P energy: -11.775
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: 5, replica: 8
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -283.500481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.500481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.500481 (E_RNA)
where:
Base-Base interactions energy: -192.248
where: short stacking energy: -90.074
Base-Backbone interact. energy: -0.435
local terms energy: -90.817344
where:
bonds (distance) C4'-P energy: -15.435
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -20.798
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -23.837
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: 10
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -267.572293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.572293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.572293 (E_RNA)
where:
Base-Base interactions energy: -177.760
where: short stacking energy: -83.559
Base-Backbone interact. energy: -0.005
local terms energy: -89.807229
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -15.055
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -15.512
tors. eta vs tors. theta energy: -26.267
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: 7, replica: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -252.048042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.048042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.048042 (E_RNA)
where:
Base-Base interactions energy: -167.413
where: short stacking energy: -75.291
Base-Backbone interact. energy: -0.020
local terms energy: -84.615851
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -21.090
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -16.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -234.155898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.155898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.155898 (E_RNA)
where:
Base-Base interactions energy: -152.098
where: short stacking energy: -60.739
Base-Backbone interact. energy: -0.378
local terms energy: -81.679730
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -16.618
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -14.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -100.581261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.581261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.581261 (E_RNA)
where:
Base-Base interactions energy: -47.091
where: short stacking energy: -30.400
Base-Backbone interact. energy: -0.188
local terms energy: -53.302193
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -2.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -149.422818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.422818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.422818 (E_RNA)
where:
Base-Base interactions energy: -79.411
where: short stacking energy: -44.891
Base-Backbone interact. energy: -0.224
local terms energy: -69.788029
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -316.867469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.867469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.867469 (E_RNA)
where:
Base-Base interactions energy: -217.396
where: short stacking energy: -96.195
Base-Backbone interact. energy: -1.891
local terms energy: -97.580801
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -26.199
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: 9
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -302.623936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.623936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.623936 (E_RNA)
where:
Base-Base interactions energy: -212.337
where: short stacking energy: -85.742
Base-Backbone interact. energy: 1.494
local terms energy: -91.781456
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -22.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -297.687905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.687905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.687905 (E_RNA)
where:
Base-Base interactions energy: -209.090
where: short stacking energy: -80.219
Base-Backbone interact. energy: -1.125
local terms energy: -87.472455
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -22.220
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -19.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -277.386538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.386538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.386538 (E_RNA)
where:
Base-Base interactions energy: -183.927
where: short stacking energy: -79.964
Base-Backbone interact. energy: -1.689
local terms energy: -91.770840
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -21.901
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -24.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -267.993759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.993759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.993759 (E_RNA)
where:
Base-Base interactions energy: -173.005
where: short stacking energy: -83.069
Base-Backbone interact. energy: -0.304
local terms energy: -94.685010
where:
bonds (distance) C4'-P energy: -15.688
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -25.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -271.273043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.273043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.273043 (E_RNA)
where:
Base-Base interactions energy: -183.230
where: short stacking energy: -75.064
Base-Backbone interact. energy: 0.959
local terms energy: -89.002122
where:
bonds (distance) C4'-P energy: -20.193
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -17.437
tors. eta vs tors. theta energy: -20.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -255.110444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.110444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.110444 (E_RNA)
where:
Base-Base interactions energy: -164.539
where: short stacking energy: -78.472
Base-Backbone interact. energy: -0.363
local terms energy: -90.208525
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -20.485
flat angles C4'-P-C4' energy: -20.101
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -21.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -238.530934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.530934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.530934 (E_RNA)
where:
Base-Base interactions energy: -159.361
where: short stacking energy: -73.567
Base-Backbone interact. energy: -1.054
local terms energy: -78.115240
where:
bonds (distance) C4'-P energy: -9.161
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -15.209
tors. eta vs tors. theta energy: -24.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -96.517746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.517746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.517746 (E_RNA)
where:
Base-Base interactions energy: -45.397
where: short stacking energy: -33.462
Base-Backbone interact. energy: -0.021
local terms energy: -51.100077
where:
bonds (distance) C4'-P energy: -7.409
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -100.024124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.024124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.024124 (E_RNA)
where:
Base-Base interactions energy: -38.028
where: short stacking energy: -38.028
Base-Backbone interact. energy: -0.142
local terms energy: -61.854253
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -7.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -302.365608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.365608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.365608 (E_RNA)
where:
Base-Base interactions energy: -203.420
where: short stacking energy: -90.187
Base-Backbone interact. energy: -0.119
local terms energy: -98.826667
where:
bonds (distance) C4'-P energy: -18.180
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -25.530
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: 2, replica: 9
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -309.828454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.828454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.828454 (E_RNA)
where:
Base-Base interactions energy: -214.973
where: short stacking energy: -81.212
Base-Backbone interact. energy: -0.361
local terms energy: -94.493806
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -21.726
flat angles P-C4'-P energy: -12.404
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: 3, replica: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -296.851614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.851614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.851614 (E_RNA)
where:
Base-Base interactions energy: -202.684
where: short stacking energy: -83.297
Base-Backbone interact. energy: 0.388
local terms energy: -94.555270
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -22.965
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: -20.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -269.422150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.422150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.422150 (E_RNA)
where:
Base-Base interactions energy: -172.606
where: short stacking energy: -76.548
Base-Backbone interact. energy: -1.266
local terms energy: -95.550486
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -15.978
flat angles P-C4'-P energy: -15.083
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: 5, replica: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -280.216776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.216776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.216776 (E_RNA)
where:
Base-Base interactions energy: -181.524
where: short stacking energy: -93.236
Base-Backbone interact. energy: -0.001
local terms energy: -98.692193
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -22.345
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -28.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -289.691402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.691402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.691402 (E_RNA)
where:
Base-Base interactions energy: -204.716
where: short stacking energy: -83.633
Base-Backbone interact. energy: -0.016
local terms energy: -84.959437
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -17.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -252.196155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.196155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.196155 (E_RNA)
where:
Base-Base interactions energy: -166.197
where: short stacking energy: -74.589
Base-Backbone interact. energy: -0.638
local terms energy: -85.360996
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -245.540611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.540611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.540611 (E_RNA)
where:
Base-Base interactions energy: -155.696
where: short stacking energy: -76.618
Base-Backbone interact. energy: -0.134
local terms energy: -89.710193
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -21.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -110.379722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.379722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.379722 (E_RNA)
where:
Base-Base interactions energy: -53.925
where: short stacking energy: -29.884
Base-Backbone interact. energy: -0.435
local terms energy: -56.019456
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: 3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -94.369492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.369492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.369492 (E_RNA)
where:
Base-Base interactions energy: -42.479
where: short stacking energy: -28.270
Base-Backbone interact. energy: -1.622
local terms energy: -50.268337
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -11.467
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: 0.419
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: 9
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -298.784955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.784955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.784955 (E_RNA)
where:
Base-Base interactions energy: -216.154
where: short stacking energy: -76.507
Base-Backbone interact. energy: -1.176
local terms energy: -81.455315
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -14.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -293.347792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.347792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.347792 (E_RNA)
where:
Base-Base interactions energy: -192.672
where: short stacking energy: -83.956
Base-Backbone interact. energy: -1.557
local terms energy: -99.118629
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -15.731
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: 3, replica: 10
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -289.767096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.767096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.767096 (E_RNA)
where:
Base-Base interactions energy: -198.628
where: short stacking energy: -95.549
Base-Backbone interact. energy: 0.149
local terms energy: -91.288220
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -24.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -291.242429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.242429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.242429 (E_RNA)
where:
Base-Base interactions energy: -205.457
where: short stacking energy: -83.074
Base-Backbone interact. energy: -0.881
local terms energy: -84.905185
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -9.571
tors. eta vs tors. theta energy: -20.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -282.827648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.827648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.827648 (E_RNA)
where:
Base-Base interactions energy: -198.234
where: short stacking energy: -85.040
Base-Backbone interact. energy: 0.055
local terms energy: -84.648276
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -20.680
flat angles P-C4'-P energy: -8.128
tors. eta vs tors. theta energy: -21.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -264.173975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.173975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.173975 (E_RNA)
where:
Base-Base interactions energy: -180.348
where: short stacking energy: -80.238
Base-Backbone interact. energy: -0.255
local terms energy: -83.570563
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -16.176
tors. eta vs tors. theta energy: -19.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -263.317303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.317303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.317303 (E_RNA)
where:
Base-Base interactions energy: -175.327
where: short stacking energy: -86.126
Base-Backbone interact. energy: -0.477
local terms energy: -87.513102
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -21.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -249.175173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.175173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.175173 (E_RNA)
where:
Base-Base interactions energy: -165.262
where: short stacking energy: -68.860
Base-Backbone interact. energy: 0.086
local terms energy: -83.998816
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -20.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -145.968530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.968530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.968530 (E_RNA)
where:
Base-Base interactions energy: -93.862
where: short stacking energy: -47.476
Base-Backbone interact. energy: 2.729
local terms energy: -54.834778
where:
bonds (distance) C4'-P energy: -8.944
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -3.911
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: 3
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -96.252040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.252040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.252040 (E_RNA)
where:
Base-Base interactions energy: -43.420
where: short stacking energy: -30.275
Base-Backbone interact. energy: 0.095
local terms energy: -52.926689
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -14.368
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: 1.382
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: 9
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -310.473804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.473804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.473804 (E_RNA)
where:
Base-Base interactions energy: -219.715
where: short stacking energy: -82.114
Base-Backbone interact. energy: -0.563
local terms energy: -90.195692
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -20.890
flat angles P-C4'-P energy: -14.119
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -297.998417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.998417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.998417 (E_RNA)
where:
Base-Base interactions energy: -201.922
where: short stacking energy: -92.565
Base-Backbone interact. energy: -0.054
local terms energy: -96.022324
where:
bonds (distance) C4'-P energy: -18.931
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -300.432576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.432576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.432576 (E_RNA)
where:
Base-Base interactions energy: -202.644
where: short stacking energy: -82.018
Base-Backbone interact. energy: -0.175
local terms energy: -97.613859
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -20.753
flat angles P-C4'-P energy: -16.837
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: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -291.834431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.834431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.834431 (E_RNA)
where:
Base-Base interactions energy: -199.121
where: short stacking energy: -84.132
Base-Backbone interact. energy: -0.011
local terms energy: -92.702024
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -23.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -283.856190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.856190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.856190 (E_RNA)
where:
Base-Base interactions energy: -187.744
where: short stacking energy: -78.367
Base-Backbone interact. energy: 0.463
local terms energy: -96.574898
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -15.937
tors. eta vs tors. theta energy: -22.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -263.540025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.540025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.540025 (E_RNA)
where:
Base-Base interactions energy: -182.264
where: short stacking energy: -78.969
Base-Backbone interact. energy: -0.190
local terms energy: -81.085703
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -21.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -250.447507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.447507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.447507 (E_RNA)
where:
Base-Base interactions energy: -167.430
where: short stacking energy: -79.512
Base-Backbone interact. energy: -0.108
local terms energy: -82.910012
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -17.662
flat angles P-C4'-P energy: -13.557
tors. eta vs tors. theta energy: -21.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -253.252098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.252098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.252098 (E_RNA)
where:
Base-Base interactions energy: -173.204
where: short stacking energy: -84.925
Base-Backbone interact. energy: -0.002
local terms energy: -80.045467
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -26.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -106.608465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.608465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.608465 (E_RNA)
where:
Base-Base interactions energy: -44.225
where: short stacking energy: -32.830
Base-Backbone interact. energy: -0.746
local terms energy: -61.637718
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -96.516027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.516027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.516027 (E_RNA)
where:
Base-Base interactions energy: -30.296
where: short stacking energy: -22.518
Base-Backbone interact. energy: 0.206
local terms energy: -66.426538
where:
bonds (distance) C4'-P energy: -21.103
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: 3.428
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: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -307.937750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.937750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.937750 (E_RNA)
where:
Base-Base interactions energy: -225.701
where: short stacking energy: -81.817
Base-Backbone interact. energy: -0.317
local terms energy: -81.919969
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -14.448
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: 2, replica: 10
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -302.096856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.096856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.096856 (E_RNA)
where:
Base-Base interactions energy: -203.446
where: short stacking energy: -91.296
Base-Backbone interact. energy: -1.481
local terms energy: -97.169800
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -20.368
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -21.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -300.324698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.324698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.324698 (E_RNA)
where:
Base-Base interactions energy: -214.390
where: short stacking energy: -83.633
Base-Backbone interact. energy: -0.227
local terms energy: -85.707567
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -11.757
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: 4, replica: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -299.537294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.537294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.537294 (E_RNA)
where:
Base-Base interactions energy: -206.852
where: short stacking energy: -89.322
Base-Backbone interact. energy: -0.005
local terms energy: -92.680335
where:
bonds (distance) C4'-P energy: -18.909
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -25.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -275.962253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.962253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.962253 (E_RNA)
where:
Base-Base interactions energy: -185.655
where: short stacking energy: -86.242
Base-Backbone interact. energy: -0.001
local terms energy: -90.306287
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -20.403
flat angles P-C4'-P energy: -12.659
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: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -260.727551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.727551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.727551 (E_RNA)
where:
Base-Base interactions energy: -168.301
where: short stacking energy: -78.852
Base-Backbone interact. energy: -0.093
local terms energy: -92.333312
where:
bonds (distance) C4'-P energy: -23.029
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -14.424
tors. eta vs tors. theta energy: -19.322
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: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -262.957073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.957073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.957073 (E_RNA)
where:
Base-Base interactions energy: -173.745
where: short stacking energy: -79.902
Base-Backbone interact. energy: -0.004
local terms energy: -89.208181
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -13.178
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: 8, replica: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -257.502230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.502230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.502230 (E_RNA)
where:
Base-Base interactions energy: -164.660
where: short stacking energy: -79.003
Base-Backbone interact. energy: -0.690
local terms energy: -92.152265
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -19.720
flat angles P-C4'-P energy: -11.144
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: 9, replica: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -117.289765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.289765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.289765 (E_RNA)
where:
Base-Base interactions energy: -52.359
where: short stacking energy: -40.140
Base-Backbone interact. energy: 1.120
local terms energy: -66.050428
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -6.191
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: 1
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -100.109144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.109144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.109144 (E_RNA)
where:
Base-Base interactions energy: -39.549
where: short stacking energy: -37.634
Base-Backbone interact. energy: -0.342
local terms energy: -60.218300
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -8.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -307.259293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.259293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.259293 (E_RNA)
where:
Base-Base interactions energy: -220.894
where: short stacking energy: -84.094
Base-Backbone interact. energy: -0.133
local terms energy: -86.232578
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -19.541
flat angles P-C4'-P energy: -16.683
tors. eta vs tors. theta energy: -15.638
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: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -302.000280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.000280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.000280 (E_RNA)
where:
Base-Base interactions energy: -204.434
where: short stacking energy: -92.804
Base-Backbone interact. energy: -2.457
local terms energy: -95.108484
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -28.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -305.288324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.288324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.288324 (E_RNA)
where:
Base-Base interactions energy: -212.619
where: short stacking energy: -85.871
Base-Backbone interact. energy: -0.012
local terms energy: -92.657547
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -24.409
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: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -300.047289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.047289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.047289 (E_RNA)
where:
Base-Base interactions energy: -209.175
where: short stacking energy: -86.379
Base-Backbone interact. energy: -0.301
local terms energy: -90.571890
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -21.707
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -22.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -266.018711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.018711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.018711 (E_RNA)
where:
Base-Base interactions energy: -172.084
where: short stacking energy: -88.088
Base-Backbone interact. energy: -0.024
local terms energy: -93.911082
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -26.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -262.556255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.556255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.556255 (E_RNA)
where:
Base-Base interactions energy: -175.831
where: short stacking energy: -76.466
Base-Backbone interact. energy: -0.184
local terms energy: -86.541522
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -14.892
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: 7, replica: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -263.302174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.302174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.302174 (E_RNA)
where:
Base-Base interactions energy: -175.206
where: short stacking energy: -80.330
Base-Backbone interact. energy: 0.328
local terms energy: -88.423890
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -17.567
tors. eta vs tors. theta energy: -19.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -249.718400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.718400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.718400 (E_RNA)
where:
Base-Base interactions energy: -160.951
where: short stacking energy: -71.858
Base-Backbone interact. energy: -0.194
local terms energy: -88.572588
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -20.712
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: 9, replica: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -94.037195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.037195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.037195 (E_RNA)
where:
Base-Base interactions energy: -30.771
where: short stacking energy: -24.980
Base-Backbone interact. energy: -0.387
local terms energy: -62.879449
where:
bonds (distance) C4'-P energy: -13.145
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -18.315
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -0.127
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: 1
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -98.005045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.005045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.005045 (E_RNA)
where:
Base-Base interactions energy: -44.490
where: short stacking energy: -28.683
Base-Backbone interact. energy: -0.442
local terms energy: -53.073384
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: 1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -301.156149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.156149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.156149 (E_RNA)
where:
Base-Base interactions energy: -193.152
where: short stacking energy: -99.912
Base-Backbone interact. energy: -0.376
local terms energy: -107.627945
where:
bonds (distance) C4'-P energy: -20.379
bonds (distance) P-C4' energy: -22.121
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -28.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -305.223926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.223926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.223926 (E_RNA)
where:
Base-Base interactions energy: -222.065
where: short stacking energy: -80.265
Base-Backbone interact. energy: -0.273
local terms energy: -82.886230
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -21.556
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -11.345
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: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -299.910459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.910459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.910459 (E_RNA)
where:
Base-Base interactions energy: -207.621
where: short stacking energy: -98.126
Base-Backbone interact. energy: -0.039
local terms energy: -92.250794
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -23.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -295.070526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.070526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.070526 (E_RNA)
where:
Base-Base interactions energy: -201.865
where: short stacking energy: -83.574
Base-Backbone interact. energy: -0.355
local terms energy: -92.850798
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -19.659
flat angles C4'-P-C4' energy: -18.680
flat angles P-C4'-P energy: -13.965
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: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -281.718421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.718421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.718421 (E_RNA)
where:
Base-Base interactions energy: -191.205
where: short stacking energy: -77.282
Base-Backbone interact. energy: -0.460
local terms energy: -90.054029
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -21.585
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -21.294
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: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -265.973570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.973570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.973570 (E_RNA)
where:
Base-Base interactions energy: -176.608
where: short stacking energy: -89.937
Base-Backbone interact. energy: -0.078
local terms energy: -89.288156
where:
bonds (distance) C4'-P energy: -13.768
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -10.096
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: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -262.485214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.485214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.485214 (E_RNA)
where:
Base-Base interactions energy: -178.522
where: short stacking energy: -87.962
Base-Backbone interact. energy: -0.020
local terms energy: -83.943645
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -23.548
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: 5
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -248.742961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.742961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.742961 (E_RNA)
where:
Base-Base interactions energy: -164.802
where: short stacking energy: -76.710
Base-Backbone interact. energy: -0.333
local terms energy: -83.607762
where:
bonds (distance) C4'-P energy: -10.612
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -16.151
flat angles P-C4'-P energy: -14.536
tors. eta vs tors. theta energy: -27.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -92.432747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.432747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.432747 (E_RNA)
where:
Base-Base interactions energy: -32.511
where: short stacking energy: -15.809
Base-Backbone interact. energy: 1.150
local terms energy: -61.071571
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: 0.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -90.633673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.633673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.633673 (E_RNA)
where:
Base-Base interactions energy: -36.273
where: short stacking energy: -21.582
Base-Backbone interact. energy: -0.199
local terms energy: -54.162302
where:
bonds (distance) C4'-P energy: -20.881
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -13.416
flat angles P-C4'-P energy: -3.661
tors. eta vs tors. theta energy: 1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -307.053437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.053437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.053437 (E_RNA)
where:
Base-Base interactions energy: -208.249
where: short stacking energy: -97.573
Base-Backbone interact. energy: -3.899
local terms energy: -94.905115
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -21.483
flat angles C4'-P-C4' energy: -21.743
flat angles P-C4'-P energy: -11.872
tors. eta vs tors. theta energy: -26.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -295.463618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.463618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.463618 (E_RNA)
where:
Base-Base interactions energy: -210.953
where: short stacking energy: -74.412
Base-Backbone interact. energy: 1.703
local terms energy: -86.213343
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -14.961
tors. eta vs tors. theta energy: -15.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -306.096316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.096316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.096316 (E_RNA)
where:
Base-Base interactions energy: -210.260
where: short stacking energy: -89.635
Base-Backbone interact. energy: -0.284
local terms energy: -95.552287
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -19.223
flat angles C4'-P-C4' energy: -19.739
flat angles P-C4'-P energy: -16.259
tors. eta vs tors. theta energy: -20.817
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: 7
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -294.988066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.988066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.988066 (E_RNA)
where:
Base-Base interactions energy: -200.437
where: short stacking energy: -83.757
Base-Backbone interact. energy: -0.345
local terms energy: -94.205756
where:
bonds (distance) C4'-P energy: -18.392
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -23.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -292.793356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.793356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.793356 (E_RNA)
where:
Base-Base interactions energy: -208.472
where: short stacking energy: -88.054
Base-Backbone interact. energy: -0.007
local terms energy: -84.314428
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -20.898
flat angles P-C4'-P energy: -6.276
tors. eta vs tors. theta energy: -20.536
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: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -257.535963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.535963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.535963 (E_RNA)
where:
Base-Base interactions energy: -185.472
where: short stacking energy: -78.418
Base-Backbone interact. energy: -0.253
local terms energy: -71.810876
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -10.190
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -250.045292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.045292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.045292 (E_RNA)
where:
Base-Base interactions energy: -169.453
where: short stacking energy: -69.169
Base-Backbone interact. energy: -0.554
local terms energy: -80.038655
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -241.267276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.267276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.267276 (E_RNA)
where:
Base-Base interactions energy: -155.944
where: short stacking energy: -75.900
Base-Backbone interact. energy: -0.010
local terms energy: -85.312928
where:
bonds (distance) C4'-P energy: -10.343
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -28.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -110.264850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.264850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.264850 (E_RNA)
where:
Base-Base interactions energy: -43.464
where: short stacking energy: -43.464
Base-Backbone interact. energy: -0.039
local terms energy: -66.761637
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -19.889
flat angles C4'-P-C4' energy: -17.787
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -131.321880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.321880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.321880 (E_RNA)
where:
Base-Base interactions energy: -66.074
where: short stacking energy: -32.282
Base-Backbone interact. energy: -0.056
local terms energy: -65.191837
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.820
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -306.669078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.669078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.669078 (E_RNA)
where:
Base-Base interactions energy: -227.348
where: short stacking energy: -98.561
Base-Backbone interact. energy: -0.004
local terms energy: -79.316822
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -305.456780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.456780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.456780 (E_RNA)
where:
Base-Base interactions energy: -211.283
where: short stacking energy: -78.089
Base-Backbone interact. energy: 0.297
local terms energy: -94.470577
where:
bonds (distance) C4'-P energy: -19.996
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -301.574836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.574836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.574836 (E_RNA)
where:
Base-Base interactions energy: -212.797
where: short stacking energy: -91.734
Base-Backbone interact. energy: -0.043
local terms energy: -88.734586
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -24.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -290.507906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.507906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.507906 (E_RNA)
where:
Base-Base interactions energy: -199.874
where: short stacking energy: -82.490
Base-Backbone interact. energy: -0.603
local terms energy: -90.030244
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -19.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -282.624366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.624366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.624366 (E_RNA)
where:
Base-Base interactions energy: -180.032
where: short stacking energy: -88.936
Base-Backbone interact. energy: -0.711
local terms energy: -101.881458
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -21.877
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -12.947
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: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -259.187680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.187680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.187680 (E_RNA)
where:
Base-Base interactions energy: -172.480
where: short stacking energy: -84.499
Base-Backbone interact. energy: -1.713
local terms energy: -84.994696
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -26.443
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: 8
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -259.880367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.880367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.880367 (E_RNA)
where:
Base-Base interactions energy: -166.741
where: short stacking energy: -83.248
Base-Backbone interact. energy: -0.200
local terms energy: -92.939651
where:
bonds (distance) C4'-P energy: -19.097
bonds (distance) P-C4' energy: -19.412
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -18.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -245.549999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.549999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.549999 (E_RNA)
where:
Base-Base interactions energy: -171.728
where: short stacking energy: -74.867
Base-Backbone interact. energy: -0.284
local terms energy: -73.537623
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -9.023
tors. eta vs tors. theta energy: -19.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -91.134227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.134227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.134227 (E_RNA)
where:
Base-Base interactions energy: -31.814
where: short stacking energy: -22.170
Base-Backbone interact. energy: -0.358
local terms energy: -58.962740
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -85.395732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.395732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.395732 (E_RNA)
where:
Base-Base interactions energy: -34.139
where: short stacking energy: -15.050
Base-Backbone interact. energy: 0.580
local terms energy: -51.836562
where:
bonds (distance) C4'-P energy: -12.882
bonds (distance) P-C4' energy: -17.895
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: 2.783
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: 10
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -310.808594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.808594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.808594 (E_RNA)
where:
Base-Base interactions energy: -212.953
where: short stacking energy: -100.079
Base-Backbone interact. energy: -0.639
local terms energy: -97.216125
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -22.630
flat angles P-C4'-P energy: -15.436
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: 2, replica: 9
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -303.693120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.693120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.693120 (E_RNA)
where:
Base-Base interactions energy: -216.050
where: short stacking energy: -80.184
Base-Backbone interact. energy: -0.656
local terms energy: -86.987489
where:
bonds (distance) C4'-P energy: -20.830
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -13.589
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -304.636632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.636632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.636632 (E_RNA)
where:
Base-Base interactions energy: -218.502
where: short stacking energy: -92.421
Base-Backbone interact. energy: -0.053
local terms energy: -86.081164
where:
bonds (distance) C4'-P energy: -17.693
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -26.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -279.575258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.575258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.575258 (E_RNA)
where:
Base-Base interactions energy: -182.990
where: short stacking energy: -84.488
Base-Backbone interact. energy: -0.184
local terms energy: -96.401562
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -20.239
flat angles P-C4'-P energy: -16.449
tors. eta vs tors. theta energy: -22.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -280.042998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.042998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.042998 (E_RNA)
where:
Base-Base interactions energy: -185.876
where: short stacking energy: -73.637
Base-Backbone interact. energy: 0.406
local terms energy: -94.572739
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -19.153
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: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -254.474253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.474253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.474253 (E_RNA)
where:
Base-Base interactions energy: -174.345
where: short stacking energy: -86.437
Base-Backbone interact. energy: -0.049
local terms energy: -80.080507
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -9.942
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -14.169
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: 7, replica: 6
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -271.800340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.800340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.800340 (E_RNA)
where:
Base-Base interactions energy: -170.185
where: short stacking energy: -89.842
Base-Backbone interact. energy: -0.078
local terms energy: -101.537198
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -13.480
tors. eta vs tors. theta energy: -26.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -247.207402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.207402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.207402 (E_RNA)
where:
Base-Base interactions energy: -156.140
where: short stacking energy: -80.353
Base-Backbone interact. energy: 0.548
local terms energy: -91.615284
where:
bonds (distance) C4'-P energy: -18.624
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -16.022
tors. eta vs tors. theta energy: -22.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -109.306141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.306141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.306141 (E_RNA)
where:
Base-Base interactions energy: -45.434
where: short stacking energy: -45.434
Base-Backbone interact. energy: -0.257
local terms energy: -63.615740
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -17.923
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -4.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -98.311136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.311136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.311136 (E_RNA)
where:
Base-Base interactions energy: -41.145
where: short stacking energy: -32.599
Base-Backbone interact. energy: 0.864
local terms energy: -58.030710
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -15.102
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -0.762
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: 10
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -314.979614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.979614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.979614 (E_RNA)
where:
Base-Base interactions energy: -220.980
where: short stacking energy: -87.414
Base-Backbone interact. energy: -0.329
local terms energy: -93.670673
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -12.883
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: 2, replica: 9
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -302.117812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.117812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.117812 (E_RNA)
where:
Base-Base interactions energy: -209.883
where: short stacking energy: -81.840
Base-Backbone interact. energy: -0.501
local terms energy: -91.733950
where:
bonds (distance) C4'-P energy: -19.183
bonds (distance) P-C4' energy: -22.491
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -18.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -295.205603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.205603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.205603 (E_RNA)
where:
Base-Base interactions energy: -205.859
where: short stacking energy: -90.218
Base-Backbone interact. energy: -0.086
local terms energy: -89.260679
where:
bonds (distance) C4'-P energy: -18.057
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -22.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -287.097087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.097087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.097087 (E_RNA)
where:
Base-Base interactions energy: -183.826
where: short stacking energy: -93.598
Base-Backbone interact. energy: -0.679
local terms energy: -102.592511
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -20.611
flat angles P-C4'-P energy: -16.987
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: 5, replica: 2
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -286.933642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.933642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.933642 (E_RNA)
where:
Base-Base interactions energy: -202.616
where: short stacking energy: -84.579
Base-Backbone interact. energy: -0.018
local terms energy: -84.299219
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -22.259
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: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -258.042328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.042328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.042328 (E_RNA)
where:
Base-Base interactions energy: -173.452
where: short stacking energy: -84.260
Base-Backbone interact. energy: -2.124
local terms energy: -82.465750
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -25.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -263.733977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.733977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.733977 (E_RNA)
where:
Base-Base interactions energy: -169.137
where: short stacking energy: -84.628
Base-Backbone interact. energy: -0.115
local terms energy: -94.482588
where:
bonds (distance) C4'-P energy: -20.144
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -25.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -255.558773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.558773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.558773 (E_RNA)
where:
Base-Base interactions energy: -169.399
where: short stacking energy: -77.602
Base-Backbone interact. energy: -0.280
local terms energy: -85.880409
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -13.237
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: 9, replica: 3
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -98.502724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.502724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.502724 (E_RNA)
where:
Base-Base interactions energy: -39.823
where: short stacking energy: -24.015
Base-Backbone interact. energy: -0.033
local terms energy: -58.645793
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -18.907
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -4.090
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -95.212537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.212537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.212537 (E_RNA)
where:
Base-Base interactions energy: -32.817
where: short stacking energy: -32.425
Base-Backbone interact. energy: -0.131
local terms energy: -62.264971
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -8.100
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -7.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -307.391113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.391113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.391113 (E_RNA)
where:
Base-Base interactions energy: -206.728
where: short stacking energy: -86.340
Base-Backbone interact. energy: -0.055
local terms energy: -100.607819
where:
bonds (distance) C4'-P energy: -21.398
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -21.182
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -23.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -306.931490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.931490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.931490 (E_RNA)
where:
Base-Base interactions energy: -209.939
where: short stacking energy: -89.787
Base-Backbone interact. energy: -0.479
local terms energy: -96.512964
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -20.229
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -24.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -301.660351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.660351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.660351 (E_RNA)
where:
Base-Base interactions energy: -215.526
where: short stacking energy: -85.180
Base-Backbone interact. energy: -0.386
local terms energy: -85.748667
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -19.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -292.842636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.842636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.842636 (E_RNA)
where:
Base-Base interactions energy: -194.142
where: short stacking energy: -82.891
Base-Backbone interact. energy: -0.874
local terms energy: -97.826996
where:
bonds (distance) C4'-P energy: -20.901
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -18.646
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -26.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -283.700915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.700915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.700915 (E_RNA)
where:
Base-Base interactions energy: -196.439
where: short stacking energy: -76.626
Base-Backbone interact. energy: -1.141
local terms energy: -86.120609
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -13.722
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: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -255.651403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.651403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.651403 (E_RNA)
where:
Base-Base interactions energy: -165.432
where: short stacking energy: -83.785
Base-Backbone interact. energy: -0.210
local terms energy: -90.009460
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -16.438
tors. eta vs tors. theta energy: -22.732
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: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -247.498112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.498112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.498112 (E_RNA)
where:
Base-Base interactions energy: -157.970
where: short stacking energy: -75.844
Base-Backbone interact. energy: -0.121
local terms energy: -89.406792
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -19.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -256.405441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.405441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.405441 (E_RNA)
where:
Base-Base interactions energy: -168.293
where: short stacking energy: -85.318
Base-Backbone interact. energy: -0.033
local terms energy: -88.079518
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -129.307705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.307705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.307705 (E_RNA)
where:
Base-Base interactions energy: -57.970
where: short stacking energy: -31.969
Base-Backbone interact. energy: -0.245
local terms energy: -71.093441
where:
bonds (distance) C4'-P energy: -20.534
bonds (distance) P-C4' energy: -13.724
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -6.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -94.516448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.516448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.516448 (E_RNA)
where:
Base-Base interactions energy: -39.103
where: short stacking energy: -36.802
Base-Backbone interact. energy: 2.577
local terms energy: -57.990386
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -5.099
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: 7
=====================================
Write number: 410
Temperature: 0.900000
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: -194.984
where: short stacking energy: -88.814
Base-Backbone interact. energy: -0.345
local terms energy: -102.562310
where:
bonds (distance) C4'-P energy: -20.317
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -16.124
tors. eta vs tors. theta energy: -26.856
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: 10
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -294.657427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.657427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.657427 (E_RNA)
where:
Base-Base interactions energy: -188.387
where: short stacking energy: -95.546
Base-Backbone interact. energy: -0.659
local terms energy: -105.611759
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -23.322
flat angles C4'-P-C4' energy: -21.307
flat angles P-C4'-P energy: -18.256
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: 3, replica: 9
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -301.806878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.806878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.806878 (E_RNA)
where:
Base-Base interactions energy: -201.442
where: short stacking energy: -84.915
Base-Backbone interact. energy: -0.393
local terms energy: -99.972343
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -21.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -278.390622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.390622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.390622 (E_RNA)
where:
Base-Base interactions energy: -187.045
where: short stacking energy: -81.576
Base-Backbone interact. energy: -0.282
local terms energy: -91.063823
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -19.128
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -20.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -279.420548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.420548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.420548 (E_RNA)
where:
Base-Base interactions energy: -187.985
where: short stacking energy: -95.483
Base-Backbone interact. energy: -0.042
local terms energy: -91.393771
where:
bonds (distance) C4'-P energy: -19.502
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -29.371
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: 410
Temperature: 1.150000
Total energy: -280.318598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.318598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.318598 (E_RNA)
where:
Base-Base interactions energy: -184.645
where: short stacking energy: -78.246
Base-Backbone interact. energy: -0.176
local terms energy: -95.497856
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -14.342
tors. eta vs tors. theta energy: -27.105
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: 8
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -256.042489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.042489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.042489 (E_RNA)
where:
Base-Base interactions energy: -174.653
where: short stacking energy: -81.079
Base-Backbone interact. energy: -0.062
local terms energy: -81.326677
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -13.137
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: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -244.875576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.875576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.875576 (E_RNA)
where:
Base-Base interactions energy: -158.978
where: short stacking energy: -78.033
Base-Backbone interact. energy: -0.016
local terms energy: -85.881210
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -24.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -95.773284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.773284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.773284 (E_RNA)
where:
Base-Base interactions energy: -39.621
where: short stacking energy: -37.780
Base-Backbone interact. energy: -0.026
local terms energy: -56.126366
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -5.056
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: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -93.767650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.767650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.767650 (E_RNA)
where:
Base-Base interactions energy: -31.818
where: short stacking energy: -27.235
Base-Backbone interact. energy: 3.793
local terms energy: -65.742470
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -11.935
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: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -299.944966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.944966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.944966 (E_RNA)
where:
Base-Base interactions energy: -209.362
where: short stacking energy: -91.106
Base-Backbone interact. energy: -0.035
local terms energy: -90.547546
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -18.463
flat angles C4'-P-C4' energy: -22.834
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -25.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -285.064769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.064769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.064769 (E_RNA)
where:
Base-Base interactions energy: -180.708
where: short stacking energy: -87.245
Base-Backbone interact. energy: -0.089
local terms energy: -104.267534
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -23.043
flat angles P-C4'-P energy: -16.729
tors. eta vs tors. theta energy: -27.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -293.168678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.168678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.168678 (E_RNA)
where:
Base-Base interactions energy: -215.286
where: short stacking energy: -75.739
Base-Backbone interact. energy: 0.064
local terms energy: -77.946369
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -19.437
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -15.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -281.182559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.182559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.182559 (E_RNA)
where:
Base-Base interactions energy: -194.549
where: short stacking energy: -91.011
Base-Backbone interact. energy: -0.282
local terms energy: -86.351833
where:
bonds (distance) C4'-P energy: -19.551
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -8.472
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: 5, replica: 5
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -261.678159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.678159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.678159 (E_RNA)
where:
Base-Base interactions energy: -179.948
where: short stacking energy: -71.086
Base-Backbone interact. energy: -0.023
local terms energy: -81.707498
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -19.085
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: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -286.409049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.409049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.409049 (E_RNA)
where:
Base-Base interactions energy: -193.334
where: short stacking energy: -90.345
Base-Backbone interact. energy: -0.112
local terms energy: -92.963469
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -14.676
tors. eta vs tors. theta energy: -24.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -261.485223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.485223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.485223 (E_RNA)
where:
Base-Base interactions energy: -184.826
where: short stacking energy: -82.390
Base-Backbone interact. energy: 0.557
local terms energy: -77.216455
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -18.423
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -17.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -238.322095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.322095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.322095 (E_RNA)
where:
Base-Base interactions energy: -157.045
where: short stacking energy: -70.692
Base-Backbone interact. energy: -0.896
local terms energy: -80.381076
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -18.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -99.935532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.935532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.935532 (E_RNA)
where:
Base-Base interactions energy: -45.993
where: short stacking energy: -22.409
Base-Backbone interact. energy: 1.335
local terms energy: -55.277634
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -12.135
tors. eta vs tors. theta energy: -0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -93.726317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.726317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.726317 (E_RNA)
where:
Base-Base interactions energy: -32.271
where: short stacking energy: -12.391
Base-Backbone interact. energy: 3.070
local terms energy: -64.525332
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -300.015280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.015280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.015280 (E_RNA)
where:
Base-Base interactions energy: -198.019
where: short stacking energy: -84.452
Base-Backbone interact. energy: -0.181
local terms energy: -101.815037
where:
bonds (distance) C4'-P energy: -19.878
bonds (distance) P-C4' energy: -21.275
flat angles C4'-P-C4' energy: -23.515
flat angles P-C4'-P energy: -13.379
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: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -290.835177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.835177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.835177 (E_RNA)
where:
Base-Base interactions energy: -188.998
where: short stacking energy: -88.977
Base-Backbone interact. energy: -1.730
local terms energy: -100.107075
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -22.074
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: -27.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -295.337333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.337333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.337333 (E_RNA)
where:
Base-Base interactions energy: -201.034
where: short stacking energy: -90.732
Base-Backbone interact. energy: -0.669
local terms energy: -93.634545
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -14.377
tors. eta vs tors. theta energy: -25.728
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: 9
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -298.866854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.866854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.866854 (E_RNA)
where:
Base-Base interactions energy: -206.871
where: short stacking energy: -84.018
Base-Backbone interact. energy: -1.482
local terms energy: -90.513867
where:
bonds (distance) C4'-P energy: -19.861
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -20.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -269.943047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.943047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.943047 (E_RNA)
where:
Base-Base interactions energy: -176.680
where: short stacking energy: -78.449
Base-Backbone interact. energy: 0.104
local terms energy: -93.366910
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -28.740
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: 6, replica: 5
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -264.824112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.824112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.824112 (E_RNA)
where:
Base-Base interactions energy: -180.876
where: short stacking energy: -84.578
Base-Backbone interact. energy: -0.189
local terms energy: -83.758627
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -21.327
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -20.408
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: 8
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -258.478938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.478938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.478938 (E_RNA)
where:
Base-Base interactions energy: -172.125
where: short stacking energy: -72.508
Base-Backbone interact. energy: -0.167
local terms energy: -86.186559
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -19.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -257.877384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.877384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.877384 (E_RNA)
where:
Base-Base interactions energy: -168.595
where: short stacking energy: -73.495
Base-Backbone interact. energy: -0.197
local terms energy: -89.085545
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -17.708
tors. eta vs tors. theta energy: -21.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -98.337709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.337709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.337709 (E_RNA)
where:
Base-Base interactions energy: -32.967
where: short stacking energy: -29.946
Base-Backbone interact. energy: 0.971
local terms energy: -66.341670
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -0.418
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: 1
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -91.147433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.147433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.147433 (E_RNA)
where:
Base-Base interactions energy: -28.313
where: short stacking energy: -27.050
Base-Backbone interact. energy: -0.144
local terms energy: -62.690220
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -6.345
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: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -305.763261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.763261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.763261 (E_RNA)
where:
Base-Base interactions energy: -204.843
where: short stacking energy: -87.281
Base-Backbone interact. energy: -3.110
local terms energy: -97.810818
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -21.719
flat angles P-C4'-P energy: -13.643
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: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -295.604963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.604963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.604963 (E_RNA)
where:
Base-Base interactions energy: -196.370
where: short stacking energy: -88.420
Base-Backbone interact. energy: -1.334
local terms energy: -97.900676
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -19.923
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -22.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -282.231584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.231584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.231584 (E_RNA)
where:
Base-Base interactions energy: -187.440
where: short stacking energy: -85.905
Base-Backbone interact. energy: -0.003
local terms energy: -94.788954
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -13.456
tors. eta vs tors. theta energy: -22.720
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: 413
Temperature: 1.050000
Total energy: -290.075499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.075499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.075499 (E_RNA)
where:
Base-Base interactions energy: -203.165
where: short stacking energy: -76.002
Base-Backbone interact. energy: 1.055
local terms energy: -87.965454
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -18.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -272.572407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.572407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.572407 (E_RNA)
where:
Base-Base interactions energy: -188.718
where: short stacking energy: -82.642
Base-Backbone interact. energy: 0.653
local terms energy: -84.507595
where:
bonds (distance) C4'-P energy: -17.213
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -14.363
tors. eta vs tors. theta energy: -20.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -251.303071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.303071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.303071 (E_RNA)
where:
Base-Base interactions energy: -170.998
where: short stacking energy: -65.293
Base-Backbone interact. energy: -0.967
local terms energy: -79.337809
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -18.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -261.063903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.063903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.063903 (E_RNA)
where:
Base-Base interactions energy: -180.580
where: short stacking energy: -82.703
Base-Backbone interact. energy: -0.079
local terms energy: -80.405185
where:
bonds (distance) C4'-P energy: -20.065
bonds (distance) P-C4' energy: -6.078
flat angles C4'-P-C4' energy: -20.839
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -24.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -205.355669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.355669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.355669 (E_RNA)
where:
Base-Base interactions energy: -134.693
where: short stacking energy: -59.283
Base-Backbone interact. energy: 0.779
local terms energy: -71.441365
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -11.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -162.412547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.412547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.412547 (E_RNA)
where:
Base-Base interactions energy: -90.282
where: short stacking energy: -52.147
Base-Backbone interact. energy: -0.975
local terms energy: -71.155366
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -10.735
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: 10, replica: 1
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -115.088265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.088265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.088265 (E_RNA)
where:
Base-Base interactions energy: -52.462
where: short stacking energy: -50.032
Base-Backbone interact. energy: 0.316
local terms energy: -62.942913
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -5.036
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -307.784258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.784258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.784258 (E_RNA)
where:
Base-Base interactions energy: -215.245
where: short stacking energy: -91.350
Base-Backbone interact. energy: -0.139
local terms energy: -92.400422
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -19.313
flat angles C4'-P-C4' energy: -21.627
flat angles P-C4'-P energy: -11.169
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: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -303.740995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.740995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.740995 (E_RNA)
where:
Base-Base interactions energy: -204.097
where: short stacking energy: -91.825
Base-Backbone interact. energy: -0.038
local terms energy: -99.605745
where:
bonds (distance) C4'-P energy: -19.791
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -24.511
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -25.463
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: 9
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -296.820299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.820299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.820299 (E_RNA)
where:
Base-Base interactions energy: -203.000
where: short stacking energy: -86.818
Base-Backbone interact. energy: -0.077
local terms energy: -93.743227
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -22.912
flat angles P-C4'-P energy: -14.179
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -266.310962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.310962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.310962 (E_RNA)
where:
Base-Base interactions energy: -179.238
where: short stacking energy: -87.518
Base-Backbone interact. energy: -0.166
local terms energy: -86.906732
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -23.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -280.373951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.373951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.373951 (E_RNA)
where:
Base-Base interactions energy: -185.964
where: short stacking energy: -79.828
Base-Backbone interact. energy: -0.225
local terms energy: -94.184431
where:
bonds (distance) C4'-P energy: -10.989
bonds (distance) P-C4' energy: -23.298
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -16.800
tors. eta vs tors. theta energy: -23.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -259.545856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.545856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.545856 (E_RNA)
where:
Base-Base interactions energy: -175.198
where: short stacking energy: -84.318
Base-Backbone interact. energy: -1.272
local terms energy: -83.075596
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -23.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -260.906342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.906342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.906342 (E_RNA)
where:
Base-Base interactions energy: -171.040
where: short stacking energy: -84.144
Base-Backbone interact. energy: -0.246
local terms energy: -89.620569
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -24.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -200.222852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.222852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.222852 (E_RNA)
where:
Base-Base interactions energy: -132.001
where: short stacking energy: -71.738
Base-Backbone interact. energy: -0.161
local terms energy: -68.060956
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -17.564
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: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -97.416105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.416105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.416105 (E_RNA)
where:
Base-Base interactions energy: -40.367
where: short stacking energy: -29.473
Base-Backbone interact. energy: -0.434
local terms energy: -56.614616
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -0.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -97.371810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.371810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.371810 (E_RNA)
where:
Base-Base interactions energy: -45.427
where: short stacking energy: -33.015
Base-Backbone interact. energy: -0.414
local terms energy: -51.531193
where:
bonds (distance) C4'-P energy: -11.491
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -11.320
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -0.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -303.664240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.664240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.664240 (E_RNA)
where:
Base-Base interactions energy: -210.934
where: short stacking energy: -97.155
Base-Backbone interact. energy: -0.147
local terms energy: -92.582665
where:
bonds (distance) C4'-P energy: -18.589
bonds (distance) P-C4' energy: -19.174
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -24.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -296.963158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.963158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.963158 (E_RNA)
where:
Base-Base interactions energy: -204.685
where: short stacking energy: -80.459
Base-Backbone interact. energy: -0.106
local terms energy: -92.171491
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -20.034
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -282.910408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.910408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.910408 (E_RNA)
where:
Base-Base interactions energy: -197.525
where: short stacking energy: -71.762
Base-Backbone interact. energy: -0.245
local terms energy: -85.140711
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -21.337
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -12.550
tors. eta vs tors. theta energy: -13.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -286.506556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.506556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.506556 (E_RNA)
where:
Base-Base interactions energy: -196.707
where: short stacking energy: -87.760
Base-Backbone interact. energy: -0.737
local terms energy: -89.062970
where:
bonds (distance) C4'-P energy: -20.309
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -21.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -270.234949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.234949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.234949 (E_RNA)
where:
Base-Base interactions energy: -174.012
where: short stacking energy: -88.221
Base-Backbone interact. energy: -0.085
local terms energy: -96.137806
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -16.493
tors. eta vs tors. theta energy: -25.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -269.826151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.826151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.826151 (E_RNA)
where:
Base-Base interactions energy: -177.320
where: short stacking energy: -87.820
Base-Backbone interact. energy: -2.311
local terms energy: -90.195168
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -13.988
flat angles C4'-P-C4' energy: -19.351
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -26.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -247.731362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.731362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.731362 (E_RNA)
where:
Base-Base interactions energy: -176.250
where: short stacking energy: -72.954
Base-Backbone interact. energy: -0.714
local terms energy: -70.767827
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -13.455
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: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -198.901082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.901082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.901082 (E_RNA)
where:
Base-Base interactions energy: -127.085
where: short stacking energy: -65.073
Base-Backbone interact. energy: 1.587
local terms energy: -73.402984
where:
bonds (distance) C4'-P energy: -17.815
bonds (distance) P-C4' energy: -21.125
flat angles C4'-P-C4' energy: -14.258
flat angles P-C4'-P energy: -4.882
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: 3
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -102.191628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.191628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.191628 (E_RNA)
where:
Base-Base interactions energy: -36.794
where: short stacking energy: -28.664
Base-Backbone interact. energy: -0.193
local terms energy: -65.204388
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -19.634
flat angles C4'-P-C4' energy: -15.267
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -5.634
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: 1
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -141.886920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.886920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.886920 (E_RNA)
where:
Base-Base interactions energy: -72.271
where: short stacking energy: -48.756
Base-Backbone interact. energy: -0.782
local terms energy: -68.834865
where:
bonds (distance) C4'-P energy: -18.467
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -6.871
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: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -304.911137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.911137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.911137 (E_RNA)
where:
Base-Base interactions energy: -209.482
where: short stacking energy: -92.610
Base-Backbone interact. energy: -0.012
local terms energy: -95.416748
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -11.476
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: 2, replica: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -307.396599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.396599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.396599 (E_RNA)
where:
Base-Base interactions energy: -209.602
where: short stacking energy: -82.525
Base-Backbone interact. energy: -0.220
local terms energy: -97.575151
where:
bonds (distance) C4'-P energy: -22.370
bonds (distance) P-C4' energy: -19.882
flat angles C4'-P-C4' energy: -20.160
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -292.818430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.818430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.818430 (E_RNA)
where:
Base-Base interactions energy: -198.100
where: short stacking energy: -80.497
Base-Backbone interact. energy: -0.219
local terms energy: -94.498728
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -19.851
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -25.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -268.549878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.549878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.549878 (E_RNA)
where:
Base-Base interactions energy: -182.876
where: short stacking energy: -85.636
Base-Backbone interact. energy: -0.754
local terms energy: -84.919811
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -18.413
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -17.990
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: 10
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -257.782705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.782705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.782705 (E_RNA)
where:
Base-Base interactions energy: -172.886
where: short stacking energy: -88.323
Base-Backbone interact. energy: -0.062
local terms energy: -84.834482
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -21.570
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -7.834
tors. eta vs tors. theta energy: -23.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -282.098282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.098282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.098282 (E_RNA)
where:
Base-Base interactions energy: -198.691
where: short stacking energy: -82.358
Base-Backbone interact. energy: -0.491
local terms energy: -82.916202
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -19.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -205.719659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.719659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.719659 (E_RNA)
where:
Base-Base interactions energy: -117.654
where: short stacking energy: -65.742
Base-Backbone interact. energy: -0.011
local terms energy: -88.054660
where:
bonds (distance) C4'-P energy: -17.765
bonds (distance) P-C4' energy: -22.663
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -10.674
tors. eta vs tors. theta energy: -19.888
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: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -241.295432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.295432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.295432 (E_RNA)
where:
Base-Base interactions energy: -149.932
where: short stacking energy: -72.101
Base-Backbone interact. energy: -0.163
local terms energy: -91.201045
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -19.231
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -23.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -101.940338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.940338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.940338 (E_RNA)
where:
Base-Base interactions energy: -41.498
where: short stacking energy: -37.530
Base-Backbone interact. energy: -1.092
local terms energy: -59.350167
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -2.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -92.211591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.211591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.211591 (E_RNA)
where:
Base-Base interactions energy: -35.585
where: short stacking energy: -35.585
Base-Backbone interact. energy: -0.057
local terms energy: -56.569536
where:
bonds (distance) C4'-P energy: -18.500
bonds (distance) P-C4' energy: -15.467
flat angles C4'-P-C4' energy: -6.957
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -304.479987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.479987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.479987 (E_RNA)
where:
Base-Base interactions energy: -204.189
where: short stacking energy: -93.032
Base-Backbone interact. energy: -0.024
local terms energy: -100.267077
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -20.972
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -31.080
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: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -302.304272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.304272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.304272 (E_RNA)
where:
Base-Base interactions energy: -205.722
where: short stacking energy: -83.024
Base-Backbone interact. energy: -0.323
local terms energy: -96.258982
where:
bonds (distance) C4'-P energy: -19.066
bonds (distance) P-C4' energy: -21.471
flat angles C4'-P-C4' energy: -20.366
flat angles P-C4'-P energy: -15.206
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: 3, replica: 9
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -296.599641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.599641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.599641 (E_RNA)
where:
Base-Base interactions energy: -205.938
where: short stacking energy: -78.768
Base-Backbone interact. energy: 0.105
local terms energy: -90.767407
where:
bonds (distance) C4'-P energy: -18.935
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -19.705
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: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -290.529310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.529310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.529310 (E_RNA)
where:
Base-Base interactions energy: -188.375
where: short stacking energy: -90.946
Base-Backbone interact. energy: -0.018
local terms energy: -102.136901
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -23.704
flat angles P-C4'-P energy: -13.934
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: 5, replica: 10
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -258.755788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.755788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.755788 (E_RNA)
where:
Base-Base interactions energy: -174.283
where: short stacking energy: -77.256
Base-Backbone interact. energy: -0.328
local terms energy: -84.144522
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -20.196
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -10.439
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: 6, replica: 6
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -233.301066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.301066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.301066 (E_RNA)
where:
Base-Base interactions energy: -155.534
where: short stacking energy: -59.666
Base-Backbone interact. energy: -0.178
local terms energy: -77.588667
where:
bonds (distance) C4'-P energy: -9.906
bonds (distance) P-C4' energy: -21.113
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -15.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -257.571004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.571004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.571004 (E_RNA)
where:
Base-Base interactions energy: -179.939
where: short stacking energy: -84.232
Base-Backbone interact. energy: -0.856
local terms energy: -76.776384
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -21.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -258.605596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.605596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.605596 (E_RNA)
where:
Base-Base interactions energy: -172.894
where: short stacking energy: -87.893
Base-Backbone interact. energy: 0.721
local terms energy: -86.433326
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -23.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -116.753569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.753569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.753569 (E_RNA)
where:
Base-Base interactions energy: -51.283
where: short stacking energy: -34.720
Base-Backbone interact. energy: -0.099
local terms energy: -65.371607
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -13.711
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -7.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -106.187155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.187155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.187155 (E_RNA)
where:
Base-Base interactions energy: -44.517
where: short stacking energy: -34.536
Base-Backbone interact. energy: -0.011
local terms energy: -61.659332
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -6.986
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: 7
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -306.150125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.150125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.150125 (E_RNA)
where:
Base-Base interactions energy: -213.778
where: short stacking energy: -83.527
Base-Backbone interact. energy: -1.121
local terms energy: -91.251327
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -16.215
tors. eta vs tors. theta energy: -18.869
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: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -298.011136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.011136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.011136 (E_RNA)
where:
Base-Base interactions energy: -201.597
where: short stacking energy: -96.455
Base-Backbone interact. energy: -0.004
local terms energy: -96.410531
where:
bonds (distance) C4'-P energy: -19.313
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -26.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -299.698402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.698402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.698402 (E_RNA)
where:
Base-Base interactions energy: -213.126
where: short stacking energy: -87.544
Base-Backbone interact. energy: -0.603
local terms energy: -85.969434
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -280.237099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.237099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.237099 (E_RNA)
where:
Base-Base interactions energy: -189.953
where: short stacking energy: -84.266
Base-Backbone interact. energy: -0.044
local terms energy: -90.240200
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -11.301
tors. eta vs tors. theta energy: -24.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -241.191705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.191705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.191705 (E_RNA)
where:
Base-Base interactions energy: -153.696
where: short stacking energy: -64.814
Base-Backbone interact. energy: -0.417
local terms energy: -87.078832
where:
bonds (distance) C4'-P energy: -20.097
bonds (distance) P-C4' energy: -20.749
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -13.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -255.474538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.474538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.474538 (E_RNA)
where:
Base-Base interactions energy: -163.725
where: short stacking energy: -80.020
Base-Backbone interact. energy: -0.655
local terms energy: -91.094229
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -23.576
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -19.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -258.860789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.860789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.860789 (E_RNA)
where:
Base-Base interactions energy: -174.339
where: short stacking energy: -77.770
Base-Backbone interact. energy: -0.395
local terms energy: -84.127504
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -15.525
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -235.523815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.523815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.523815 (E_RNA)
where:
Base-Base interactions energy: -152.479
where: short stacking energy: -67.575
Base-Backbone interact. energy: -0.473
local terms energy: -82.571624
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -10.980
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: 9, replica: 3
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -89.763985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.763985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.763985 (E_RNA)
where:
Base-Base interactions energy: -32.186
where: short stacking energy: -31.177
Base-Backbone interact. energy: -0.163
local terms energy: -57.414766
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -16.268
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -4.022
tors. eta vs tors. theta energy: -4.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -117.645947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.645947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.645947 (E_RNA)
where:
Base-Base interactions energy: -65.631
where: short stacking energy: -36.471
Base-Backbone interact. energy: -0.246
local terms energy: -51.769041
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -10.681
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -1.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -310.882964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.882964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.882964 (E_RNA)
where:
Base-Base interactions energy: -220.829
where: short stacking energy: -88.843
Base-Backbone interact. energy: -0.452
local terms energy: -89.602043
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -17.806
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: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -309.298347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.298347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.298347 (E_RNA)
where:
Base-Base interactions energy: -204.373
where: short stacking energy: -86.683
Base-Backbone interact. energy: -0.238
local terms energy: -104.687157
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -28.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -303.987962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.987962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.987962 (E_RNA)
where:
Base-Base interactions energy: -206.147
where: short stacking energy: -79.442
Base-Backbone interact. energy: -0.128
local terms energy: -97.713114
where:
bonds (distance) C4'-P energy: -19.249
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -22.666
flat angles P-C4'-P energy: -14.862
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: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -281.311848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.311848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.311848 (E_RNA)
where:
Base-Base interactions energy: -193.453
where: short stacking energy: -93.721
Base-Backbone interact. energy: -0.451
local terms energy: -87.408366
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -8.621
tors. eta vs tors. theta energy: -29.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -251.367841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.367841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.367841 (E_RNA)
where:
Base-Base interactions energy: -172.490
where: short stacking energy: -80.326
Base-Backbone interact. energy: -0.104
local terms energy: -78.774704
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -12.163
tors. eta vs tors. theta energy: -16.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -268.113888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.113888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.113888 (E_RNA)
where:
Base-Base interactions energy: -183.046
where: short stacking energy: -78.957
Base-Backbone interact. energy: -0.091
local terms energy: -84.976938
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -14.454
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -266.937997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.937997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.937997 (E_RNA)
where:
Base-Base interactions energy: -187.513
where: short stacking energy: -86.404
Base-Backbone interact. energy: -0.604
local terms energy: -78.821670
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -22.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -218.151686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.151686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.151686 (E_RNA)
where:
Base-Base interactions energy: -134.086
where: short stacking energy: -64.202
Base-Backbone interact. energy: 0.022
local terms energy: -84.087071
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -6.893
tors. eta vs tors. theta energy: -22.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -104.806167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.806167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.806167 (E_RNA)
where:
Base-Base interactions energy: -41.805
where: short stacking energy: -36.600
Base-Backbone interact. energy: -0.247
local terms energy: -62.754114
where:
bonds (distance) C4'-P energy: -20.996
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -1.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -109.701466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.701466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.701466 (E_RNA)
where:
Base-Base interactions energy: -43.784
where: short stacking energy: -42.483
Base-Backbone interact. energy: -0.495
local terms energy: -65.422891
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -20.221
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -2.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -320.639742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.639742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.639742 (E_RNA)
where:
Base-Base interactions energy: -218.269
where: short stacking energy: -91.563
Base-Backbone interact. energy: -0.290
local terms energy: -102.080800
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -24.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -306.114466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.114466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.114466 (E_RNA)
where:
Base-Base interactions energy: -210.429
where: short stacking energy: -87.182
Base-Backbone interact. energy: -0.487
local terms energy: -95.198420
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -20.532
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -15.308
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: 3, replica: 9
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -295.978254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.978254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.978254 (E_RNA)
where:
Base-Base interactions energy: -205.216
where: short stacking energy: -78.920
Base-Backbone interact. energy: -0.292
local terms energy: -90.470581
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -12.961
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: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -288.074547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.074547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.074547 (E_RNA)
where:
Base-Base interactions energy: -207.122
where: short stacking energy: -91.713
Base-Backbone interact. energy: 1.163
local terms energy: -82.115197
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -13.907
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: 5, replica: 6
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -270.965516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.965516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.965516 (E_RNA)
where:
Base-Base interactions energy: -177.584
where: short stacking energy: -80.304
Base-Backbone interact. energy: -0.087
local terms energy: -93.294347
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -21.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -258.228796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.228796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.228796 (E_RNA)
where:
Base-Base interactions energy: -168.772
where: short stacking energy: -76.128
Base-Backbone interact. energy: 0.273
local terms energy: -89.729499
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -25.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -266.708566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.708566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.708566 (E_RNA)
where:
Base-Base interactions energy: -179.939
where: short stacking energy: -79.858
Base-Backbone interact. energy: -0.164
local terms energy: -86.605227
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -19.703
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -20.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -233.394561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.394561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.394561 (E_RNA)
where:
Base-Base interactions energy: -151.958
where: short stacking energy: -70.039
Base-Backbone interact. energy: -0.639
local terms energy: -80.797724
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -20.362
flat angles C4'-P-C4' energy: -14.088
flat angles P-C4'-P energy: -14.273
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: 9, replica: 1
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -99.441912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.441912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.441912 (E_RNA)
where:
Base-Base interactions energy: -35.670
where: short stacking energy: -35.463
Base-Backbone interact. energy: -0.071
local terms energy: -63.700065
where:
bonds (distance) C4'-P energy: -15.001
bonds (distance) P-C4' energy: -10.990
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -6.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -103.592423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.592423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.592423 (E_RNA)
where:
Base-Base interactions energy: -41.488
where: short stacking energy: -33.940
Base-Backbone interact. energy: -0.172
local terms energy: -61.932260
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -5.062
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -310.097217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.097217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.097217 (E_RNA)
where:
Base-Base interactions energy: -213.170
where: short stacking energy: -91.860
Base-Backbone interact. energy: -0.051
local terms energy: -96.875964
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -22.468
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -302.423369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.423369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.423369 (E_RNA)
where:
Base-Base interactions energy: -203.932
where: short stacking energy: -85.391
Base-Backbone interact. energy: -0.298
local terms energy: -98.193406
where:
bonds (distance) C4'-P energy: -20.757
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -23.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -290.894131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.894131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.894131 (E_RNA)
where:
Base-Base interactions energy: -202.272
where: short stacking energy: -83.918
Base-Backbone interact. energy: -0.879
local terms energy: -87.742855
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -301.836495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.836495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.836495 (E_RNA)
where:
Base-Base interactions energy: -214.482
where: short stacking energy: -90.859
Base-Backbone interact. energy: -0.351
local terms energy: -87.002700
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -25.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -271.336394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.336394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.336394 (E_RNA)
where:
Base-Base interactions energy: -186.768
where: short stacking energy: -86.211
Base-Backbone interact. energy: -0.152
local terms energy: -84.417094
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -25.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -258.515632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.515632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.515632 (E_RNA)
where:
Base-Base interactions energy: -176.168
where: short stacking energy: -81.020
Base-Backbone interact. energy: -0.167
local terms energy: -82.180307
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -18.329
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -18.220
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: 421
Temperature: 1.200000
Total energy: -254.874174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.874174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.874174 (E_RNA)
where:
Base-Base interactions energy: -167.650
where: short stacking energy: -76.419
Base-Backbone interact. energy: -0.098
local terms energy: -87.125831
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -20.969
flat angles C4'-P-C4' energy: -21.191
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -239.364080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.364080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.364080 (E_RNA)
where:
Base-Base interactions energy: -158.074
where: short stacking energy: -66.302
Base-Backbone interact. energy: -0.023
local terms energy: -81.267497
where:
bonds (distance) C4'-P energy: -18.927
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -15.083
tors. eta vs tors. theta energy: -16.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -106.861619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.861619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.861619 (E_RNA)
where:
Base-Base interactions energy: -47.651
where: short stacking energy: -34.399
Base-Backbone interact. energy: -0.263
local terms energy: -58.947676
where:
bonds (distance) C4'-P energy: -12.488
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -19.120
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: 1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -89.033851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.033851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.033851 (E_RNA)
where:
Base-Base interactions energy: -27.456
where: short stacking energy: -21.997
Base-Backbone interact. energy: -0.514
local terms energy: -61.063897
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: 3.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -307.615662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.615662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.615662 (E_RNA)
where:
Base-Base interactions energy: -212.689
where: short stacking energy: -90.831
Base-Backbone interact. energy: 3.378
local terms energy: -98.304989
where:
bonds (distance) C4'-P energy: -22.624
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -22.147
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -19.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -300.668120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.668120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.668120 (E_RNA)
where:
Base-Base interactions energy: -213.014
where: short stacking energy: -90.694
Base-Backbone interact. energy: -0.011
local terms energy: -87.643543
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -12.704
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: 3, replica: 8
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -311.364084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.364084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.364084 (E_RNA)
where:
Base-Base interactions energy: -214.609
where: short stacking energy: -98.869
Base-Backbone interact. energy: -0.031
local terms energy: -96.724401
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -28.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -289.566223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.566223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.566223 (E_RNA)
where:
Base-Base interactions energy: -201.120
where: short stacking energy: -80.805
Base-Backbone interact. energy: -0.156
local terms energy: -88.289565
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -268.307501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.307501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.307501 (E_RNA)
where:
Base-Base interactions energy: -173.496
where: short stacking energy: -83.595
Base-Backbone interact. energy: -1.360
local terms energy: -93.451350
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -22.262
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -23.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -249.197503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.197503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.197503 (E_RNA)
where:
Base-Base interactions energy: -168.986
where: short stacking energy: -68.509
Base-Backbone interact. energy: -0.236
local terms energy: -79.975886
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -249.084744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.084744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.084744 (E_RNA)
where:
Base-Base interactions energy: -172.295
where: short stacking energy: -83.715
Base-Backbone interact. energy: -0.304
local terms energy: -76.486415
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -17.383
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: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -251.432630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.432630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.432630 (E_RNA)
where:
Base-Base interactions energy: -170.320
where: short stacking energy: -74.886
Base-Backbone interact. energy: -0.127
local terms energy: -80.986228
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -98.571273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.571273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.571273 (E_RNA)
where:
Base-Base interactions energy: -36.135
where: short stacking energy: -36.135
Base-Backbone interact. energy: 0.299
local terms energy: -62.735650
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -15.935
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -95.845402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.845402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.845402 (E_RNA)
where:
Base-Base interactions energy: -38.519
where: short stacking energy: -32.696
Base-Backbone interact. energy: -0.260
local terms energy: -57.066586
where:
bonds (distance) C4'-P energy: -18.856
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -10.123
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: 0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -308.788104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.788104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.788104 (E_RNA)
where:
Base-Base interactions energy: -215.208
where: short stacking energy: -84.578
Base-Backbone interact. energy: -0.278
local terms energy: -93.301744
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -21.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -304.493220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.493220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.493220 (E_RNA)
where:
Base-Base interactions energy: -199.368
where: short stacking energy: -94.058
Base-Backbone interact. energy: -0.104
local terms energy: -105.021643
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -19.894
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -27.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -300.125364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.125364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.125364 (E_RNA)
where:
Base-Base interactions energy: -208.340
where: short stacking energy: -89.612
Base-Backbone interact. energy: -0.221
local terms energy: -91.563799
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -21.701
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -20.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -295.736155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.736155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.736155 (E_RNA)
where:
Base-Base interactions energy: -206.892
where: short stacking energy: -82.537
Base-Backbone interact. energy: -0.169
local terms energy: -88.674474
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -10.757
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: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -276.429963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.429963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.429963 (E_RNA)
where:
Base-Base interactions energy: -188.127
where: short stacking energy: -84.607
Base-Backbone interact. energy: -0.018
local terms energy: -88.284789
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -12.725
tors. eta vs tors. theta energy: -23.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -262.767319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.767319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.767319 (E_RNA)
where:
Base-Base interactions energy: -172.432
where: short stacking energy: -85.665
Base-Backbone interact. energy: -0.717
local terms energy: -89.617357
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -23.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -252.198898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.198898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.198898 (E_RNA)
where:
Base-Base interactions energy: -172.152
where: short stacking energy: -76.002
Base-Backbone interact. energy: 0.276
local terms energy: -80.322851
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -252.118533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.118533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.118533 (E_RNA)
where:
Base-Base interactions energy: -164.061
where: short stacking energy: -81.351
Base-Backbone interact. energy: -0.014
local terms energy: -88.044116
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -24.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -94.996013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.996013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.996013 (E_RNA)
where:
Base-Base interactions energy: -37.300
where: short stacking energy: -33.421
Base-Backbone interact. energy: -0.166
local terms energy: -57.530626
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -7.368
tors. eta vs tors. theta energy: 0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -102.992682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.992682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.992682 (E_RNA)
where:
Base-Base interactions energy: -35.889
where: short stacking energy: -35.549
Base-Backbone interact. energy: 0.392
local terms energy: -67.495570
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -3.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -304.952605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.952605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.952605 (E_RNA)
where:
Base-Base interactions energy: -206.436
where: short stacking energy: -87.297
Base-Backbone interact. energy: -0.217
local terms energy: -98.299775
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -21.204
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -21.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -303.232209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.232209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.232209 (E_RNA)
where:
Base-Base interactions energy: -211.497
where: short stacking energy: -82.946
Base-Backbone interact. energy: -0.460
local terms energy: -91.274685
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -22.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -291.265599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.265599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.265599 (E_RNA)
where:
Base-Base interactions energy: -204.489
where: short stacking energy: -73.563
Base-Backbone interact. energy: -0.475
local terms energy: -86.301963
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -19.084
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -16.930
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: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -295.368920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.368920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.368920 (E_RNA)
where:
Base-Base interactions energy: -201.568
where: short stacking energy: -84.941
Base-Backbone interact. energy: -0.275
local terms energy: -93.526238
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -20.992
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: -23.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -267.854574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.854574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.854574 (E_RNA)
where:
Base-Base interactions energy: -176.692
where: short stacking energy: -87.887
Base-Backbone interact. energy: -1.271
local terms energy: -89.892323
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -26.089
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: 4
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -261.536386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.536386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.536386 (E_RNA)
where:
Base-Base interactions energy: -175.109
where: short stacking energy: -80.167
Base-Backbone interact. energy: -0.184
local terms energy: -86.243299
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -16.850
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -23.860
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: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -257.996698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.996698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.996698 (E_RNA)
where:
Base-Base interactions energy: -163.419
where: short stacking energy: -73.524
Base-Backbone interact. energy: -0.052
local terms energy: -94.526345
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -23.117
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -26.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -255.944909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.944909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.944909 (E_RNA)
where:
Base-Base interactions energy: -176.410
where: short stacking energy: -85.070
Base-Backbone interact. energy: 0.362
local terms energy: -79.896563
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -8.626
tors. eta vs tors. theta energy: -23.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -99.167118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.167118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.167118 (E_RNA)
where:
Base-Base interactions energy: -44.437
where: short stacking energy: -32.460
Base-Backbone interact. energy: -0.400
local terms energy: -54.329412
where:
bonds (distance) C4'-P energy: -18.132
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -6.841
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -3.630
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: 3
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -100.902294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.902294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.902294 (E_RNA)
where:
Base-Base interactions energy: -42.613
where: short stacking energy: -37.445
Base-Backbone interact. energy: -0.404
local terms energy: -57.884940
where:
bonds (distance) C4'-P energy: -19.756
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -2.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -307.246746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.246746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.246746 (E_RNA)
where:
Base-Base interactions energy: -211.080
where: short stacking energy: -90.553
Base-Backbone interact. energy: -0.169
local terms energy: -95.997274
where:
bonds (distance) C4'-P energy: -19.670
bonds (distance) P-C4' energy: -19.588
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -20.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -308.916115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.916115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.916115 (E_RNA)
where:
Base-Base interactions energy: -212.298
where: short stacking energy: -82.264
Base-Backbone interact. energy: -0.246
local terms energy: -96.372460
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -23.234
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -19.316
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: 8
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -277.633101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.633101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.633101 (E_RNA)
where:
Base-Base interactions energy: -195.457
where: short stacking energy: -88.011
Base-Backbone interact. energy: -0.292
local terms energy: -81.884629
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -13.460
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: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -292.637653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.637653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.637653 (E_RNA)
where:
Base-Base interactions energy: -201.226
where: short stacking energy: -90.193
Base-Backbone interact. energy: -0.076
local terms energy: -91.335170
where:
bonds (distance) C4'-P energy: -18.779
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -21.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -269.532052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.532052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.532052 (E_RNA)
where:
Base-Base interactions energy: -178.921
where: short stacking energy: -93.542
Base-Backbone interact. energy: -0.844
local terms energy: -89.767002
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -16.356
tors. eta vs tors. theta energy: -24.503
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: 6
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -269.454186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.454186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.454186 (E_RNA)
where:
Base-Base interactions energy: -184.467
where: short stacking energy: -83.455
Base-Backbone interact. energy: -0.002
local terms energy: -84.984964
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -24.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -257.557796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.557796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.557796 (E_RNA)
where:
Base-Base interactions energy: -175.876
where: short stacking energy: -90.034
Base-Backbone interact. energy: -0.000
local terms energy: -81.681530
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -247.806433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.806433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.806433 (E_RNA)
where:
Base-Base interactions energy: -165.743
where: short stacking energy: -78.993
Base-Backbone interact. energy: -0.279
local terms energy: -81.784974
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -10.665
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: 9, replica: 1
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -100.831002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.831002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.831002 (E_RNA)
where:
Base-Base interactions energy: -31.161
where: short stacking energy: -30.980
Base-Backbone interact. energy: -0.024
local terms energy: -69.645743
where:
bonds (distance) C4'-P energy: -13.059
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -21.481
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -94.342583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.342583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.342583 (E_RNA)
where:
Base-Base interactions energy: -44.708
where: short stacking energy: -30.592
Base-Backbone interact. energy: -0.120
local terms energy: -49.514104
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -12.537
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -2.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -315.656272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.656272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.656272 (E_RNA)
where:
Base-Base interactions energy: -227.908
where: short stacking energy: -86.409
Base-Backbone interact. energy: 0.186
local terms energy: -87.934561
where:
bonds (distance) C4'-P energy: -19.058
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -19.608
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -301.708539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.708539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.708539 (E_RNA)
where:
Base-Base interactions energy: -204.732
where: short stacking energy: -83.548
Base-Backbone interact. energy: -0.411
local terms energy: -96.565966
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -20.297
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -24.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -302.688496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.688496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.688496 (E_RNA)
where:
Base-Base interactions energy: -209.579
where: short stacking energy: -89.293
Base-Backbone interact. energy: -1.550
local terms energy: -91.559638
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -7.957
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: 4, replica: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -282.848192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.848192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.848192 (E_RNA)
where:
Base-Base interactions energy: -195.306
where: short stacking energy: -89.115
Base-Backbone interact. energy: -0.099
local terms energy: -87.443247
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -20.372
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -25.276
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: 5, replica: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -251.884115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.884115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.884115 (E_RNA)
where:
Base-Base interactions energy: -171.832
where: short stacking energy: -62.432
Base-Backbone interact. energy: -0.333
local terms energy: -79.719069
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -18.125
flat angles P-C4'-P energy: -9.235
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: 6, replica: 6
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -254.419931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.419931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.419931 (E_RNA)
where:
Base-Base interactions energy: -162.477
where: short stacking energy: -80.098
Base-Backbone interact. energy: -0.059
local terms energy: -91.883678
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -22.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -278.726183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.726183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.726183 (E_RNA)
where:
Base-Base interactions energy: -201.469
where: short stacking energy: -86.656
Base-Backbone interact. energy: -0.289
local terms energy: -76.967349
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -24.596
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: 4
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -230.971757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.971757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.971757 (E_RNA)
where:
Base-Base interactions energy: -157.573
where: short stacking energy: -68.105
Base-Backbone interact. energy: -0.293
local terms energy: -73.105945
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -18.994
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -18.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -114.403002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.403002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.403002 (E_RNA)
where:
Base-Base interactions energy: -51.681
where: short stacking energy: -42.378
Base-Backbone interact. energy: -0.084
local terms energy: -62.638018
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -15.776
flat angles C4'-P-C4' energy: -14.590
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -9.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -92.792667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.792667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.792667 (E_RNA)
where:
Base-Base interactions energy: -31.407
where: short stacking energy: -31.407
Base-Backbone interact. energy: -0.201
local terms energy: -61.185010
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -3.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -319.540855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.540855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.540855 (E_RNA)
where:
Base-Base interactions energy: -222.176
where: short stacking energy: -91.501
Base-Backbone interact. energy: -0.775
local terms energy: -96.589451
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -22.791
flat angles P-C4'-P energy: -13.164
tors. eta vs tors. theta energy: -20.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -316.979970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.979970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.979970 (E_RNA)
where:
Base-Base interactions energy: -215.656
where: short stacking energy: -96.425
Base-Backbone interact. energy: -0.577
local terms energy: -100.746879
where:
bonds (distance) C4'-P energy: -19.133
bonds (distance) P-C4' energy: -21.157
flat angles C4'-P-C4' energy: -23.145
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -23.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -305.171185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.171185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.171185 (E_RNA)
where:
Base-Base interactions energy: -208.849
where: short stacking energy: -87.493
Base-Backbone interact. energy: -0.372
local terms energy: -95.949473
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -22.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -283.000333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.000333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.000333 (E_RNA)
where:
Base-Base interactions energy: -185.620
where: short stacking energy: -92.381
Base-Backbone interact. energy: -0.115
local terms energy: -97.265125
where:
bonds (distance) C4'-P energy: -19.576
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -13.727
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: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -257.703182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.703182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.703182 (E_RNA)
where:
Base-Base interactions energy: -167.853
where: short stacking energy: -85.704
Base-Backbone interact. energy: -0.012
local terms energy: -89.838225
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -22.120
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -15.347
tors. eta vs tors. theta energy: -22.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -287.653290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.653290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.653290 (E_RNA)
where:
Base-Base interactions energy: -206.643
where: short stacking energy: -82.070
Base-Backbone interact. energy: -1.053
local terms energy: -79.957444
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -5.775
tors. eta vs tors. theta energy: -20.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -268.089129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.089129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.089129 (E_RNA)
where:
Base-Base interactions energy: -177.973
where: short stacking energy: -81.870
Base-Backbone interact. energy: -0.025
local terms energy: -90.091126
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -23.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -252.386907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.386907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.386907 (E_RNA)
where:
Base-Base interactions energy: -159.391
where: short stacking energy: -79.069
Base-Backbone interact. energy: -0.011
local terms energy: -92.984721
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -14.541
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: 9, replica: 3
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -103.113113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.113113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.113113 (E_RNA)
where:
Base-Base interactions energy: -41.325
where: short stacking energy: -33.148
Base-Backbone interact. energy: -0.182
local terms energy: -61.606507
where:
bonds (distance) C4'-P energy: -19.602
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -8.448
tors. eta vs tors. theta energy: -4.441
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: 427
Temperature: 1.350000
Total energy: -93.660610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.660610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.660610 (E_RNA)
where:
Base-Base interactions energy: -30.229
where: short stacking energy: -29.965
Base-Backbone interact. energy: -0.548
local terms energy: -62.883676
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: 0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -318.346466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.346466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.346466 (E_RNA)
where:
Base-Base interactions energy: -215.409
where: short stacking energy: -93.688
Base-Backbone interact. energy: -1.249
local terms energy: -101.688510
where:
bonds (distance) C4'-P energy: -19.679
bonds (distance) P-C4' energy: -20.668
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -15.101
tors. eta vs tors. theta energy: -25.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -308.541954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.541954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.541954 (E_RNA)
where:
Base-Base interactions energy: -214.601
where: short stacking energy: -80.917
Base-Backbone interact. energy: 0.494
local terms energy: -94.434764
where:
bonds (distance) C4'-P energy: -22.210
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -15.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -296.793670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.793670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.793670 (E_RNA)
where:
Base-Base interactions energy: -202.153
where: short stacking energy: -92.943
Base-Backbone interact. energy: -0.002
local terms energy: -94.638023
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -20.300
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -27.478
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: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -294.659532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.659532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.659532 (E_RNA)
where:
Base-Base interactions energy: -203.153
where: short stacking energy: -86.757
Base-Backbone interact. energy: -2.529
local terms energy: -88.977833
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -21.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -292.742835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.742835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.742835 (E_RNA)
where:
Base-Base interactions energy: -194.167
where: short stacking energy: -94.392
Base-Backbone interact. energy: -0.010
local terms energy: -98.565269
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -14.649
tors. eta vs tors. theta energy: -30.134
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: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -268.816636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.816636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.816636 (E_RNA)
where:
Base-Base interactions energy: -174.384
where: short stacking energy: -87.653
Base-Backbone interact. energy: -0.075
local terms energy: -94.357944
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -20.478
flat angles P-C4'-P energy: -7.275
tors. eta vs tors. theta energy: -26.095
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: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -268.211976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.211976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.211976 (E_RNA)
where:
Base-Base interactions energy: -180.677
where: short stacking energy: -90.480
Base-Backbone interact. energy: 0.357
local terms energy: -87.891612
where:
bonds (distance) C4'-P energy: -17.286
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -24.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -246.991892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.991892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.991892 (E_RNA)
where:
Base-Base interactions energy: -156.596
where: short stacking energy: -73.059
Base-Backbone interact. energy: -0.163
local terms energy: -90.233269
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -10.303
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: 9, replica: 1
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -109.997531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.997531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.997531 (E_RNA)
where:
Base-Base interactions energy: -45.037
where: short stacking energy: -37.150
Base-Backbone interact. energy: -0.195
local terms energy: -64.765447
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -5.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -98.928070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.928070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.928070 (E_RNA)
where:
Base-Base interactions energy: -35.658
where: short stacking energy: -35.658
Base-Backbone interact. energy: 0.075
local terms energy: -63.344783
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -4.862
tors. eta vs tors. theta energy: -5.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -307.859775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.859775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.859775 (E_RNA)
where:
Base-Base interactions energy: -214.533
where: short stacking energy: -91.068
Base-Backbone interact. energy: -0.747
local terms energy: -92.579280
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -22.625
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: 9
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -307.743810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.743810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.743810 (E_RNA)
where:
Base-Base interactions energy: -217.246
where: short stacking energy: -93.208
Base-Backbone interact. energy: -0.842
local terms energy: -89.656114
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -15.525
flat angles C4'-P-C4' energy: -23.670
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -25.099
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: 3, replica: 8
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -285.789412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.789412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.789412 (E_RNA)
where:
Base-Base interactions energy: -188.164
where: short stacking energy: -89.977
Base-Backbone interact. energy: -0.436
local terms energy: -97.189394
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -27.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -283.063095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.063095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.063095 (E_RNA)
where:
Base-Base interactions energy: -185.854
where: short stacking energy: -91.267
Base-Backbone interact. energy: -1.891
local terms energy: -95.318368
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -31.575
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: 5, replica: 7
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -280.815201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.815201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.815201 (E_RNA)
where:
Base-Base interactions energy: -188.523
where: short stacking energy: -78.592
Base-Backbone interact. energy: -1.033
local terms energy: -91.259729
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -19.670
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: 6
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -275.408709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.408709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.408709 (E_RNA)
where:
Base-Base interactions energy: -185.837
where: short stacking energy: -92.788
Base-Backbone interact. energy: -0.007
local terms energy: -89.564609
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -12.304
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: 7, replica: 5
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -267.383233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.383233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.383233 (E_RNA)
where:
Base-Base interactions energy: -173.791
where: short stacking energy: -89.244
Base-Backbone interact. energy: -0.117
local terms energy: -93.475639
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -18.667
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -14.291
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: 8, replica: 4
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -235.723917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.723917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.723917 (E_RNA)
where:
Base-Base interactions energy: -158.541
where: short stacking energy: -68.557
Base-Backbone interact. energy: -0.532
local terms energy: -76.651065
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -10.094
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -13.664
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: 9, replica: 1
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -138.702627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.702627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.702627 (E_RNA)
where:
Base-Base interactions energy: -83.893
where: short stacking energy: -42.450
Base-Backbone interact. energy: -0.335
local terms energy: -54.474288
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -10.713
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -90.348652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.348652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.348652 (E_RNA)
where:
Base-Base interactions energy: -33.617
where: short stacking energy: -33.579
Base-Backbone interact. energy: -0.118
local terms energy: -56.613857
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -314.044210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.044210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.044210 (E_RNA)
where:
Base-Base interactions energy: -219.130
where: short stacking energy: -90.437
Base-Backbone interact. energy: -0.343
local terms energy: -94.571926
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -15.767
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: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -298.624381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.624381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.624381 (E_RNA)
where:
Base-Base interactions energy: -205.322
where: short stacking energy: -85.482
Base-Backbone interact. energy: -0.174
local terms energy: -93.128240
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -21.041
flat angles P-C4'-P energy: -15.677
tors. eta vs tors. theta energy: -20.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -290.310338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.310338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.310338 (E_RNA)
where:
Base-Base interactions energy: -193.208
where: short stacking energy: -95.458
Base-Backbone interact. energy: -2.717
local terms energy: -94.385402
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -15.559
tors. eta vs tors. theta energy: -28.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -274.785388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.785388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.785388 (E_RNA)
where:
Base-Base interactions energy: -183.548
where: short stacking energy: -86.140
Base-Backbone interact. energy: -0.220
local terms energy: -91.017094
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -23.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -272.881411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.881411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.881411 (E_RNA)
where:
Base-Base interactions energy: -181.958
where: short stacking energy: -72.870
Base-Backbone interact. energy: -0.151
local terms energy: -90.772352
where:
bonds (distance) C4'-P energy: -19.224
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -19.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -284.530461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.530461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.530461 (E_RNA)
where:
Base-Base interactions energy: -197.716
where: short stacking energy: -79.359
Base-Backbone interact. energy: -1.123
local terms energy: -85.691078
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -19.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -269.323092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.323092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.323092 (E_RNA)
where:
Base-Base interactions energy: -174.379
where: short stacking energy: -85.497
Base-Backbone interact. energy: -0.016
local terms energy: -94.928201
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -21.931
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -26.104
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: 4
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -242.586210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.586210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.586210 (E_RNA)
where:
Base-Base interactions energy: -166.919
where: short stacking energy: -77.183
Base-Backbone interact. energy: -0.103
local terms energy: -75.564438
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -9.243
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: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -126.732954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.732954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.732954 (E_RNA)
where:
Base-Base interactions energy: -62.347
where: short stacking energy: -31.956
Base-Backbone interact. energy: -0.123
local terms energy: -64.263185
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -6.522
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: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -90.945611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.945611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.945611 (E_RNA)
where:
Base-Base interactions energy: -31.092
where: short stacking energy: -29.960
Base-Backbone interact. energy: -0.102
local terms energy: -59.751901
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -300.665318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.665318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.665318 (E_RNA)
where:
Base-Base interactions energy: -214.655
where: short stacking energy: -81.930
Base-Backbone interact. energy: -0.655
local terms energy: -85.355253
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -11.943
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: 2, replica: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -305.859737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.859737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.859737 (E_RNA)
where:
Base-Base interactions energy: -203.960
where: short stacking energy: -91.825
Base-Backbone interact. energy: -0.084
local terms energy: -101.815271
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -28.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -287.301892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.301892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.301892 (E_RNA)
where:
Base-Base interactions energy: -192.418
where: short stacking energy: -90.776
Base-Backbone interact. energy: -0.121
local terms energy: -94.762804
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -9.228
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: 4, replica: 6
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -284.464279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.464279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.464279 (E_RNA)
where:
Base-Base interactions energy: -190.724
where: short stacking energy: -98.919
Base-Backbone interact. energy: -0.072
local terms energy: -93.668992
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -14.777
tors. eta vs tors. theta energy: -24.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -277.373651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.373651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.373651 (E_RNA)
where:
Base-Base interactions energy: -188.033
where: short stacking energy: -89.900
Base-Backbone interact. energy: -0.023
local terms energy: -89.318057
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -23.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -281.771269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.771269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.771269 (E_RNA)
where:
Base-Base interactions energy: -206.118
where: short stacking energy: -73.215
Base-Backbone interact. energy: -0.311
local terms energy: -75.342889
where:
bonds (distance) C4'-P energy: -9.618
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -15.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -268.038331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.038331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.038331 (E_RNA)
where:
Base-Base interactions energy: -175.924
where: short stacking energy: -90.831
Base-Backbone interact. energy: -0.021
local terms energy: -92.093547
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: -26.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -240.684433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.684433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.684433 (E_RNA)
where:
Base-Base interactions energy: -155.655
where: short stacking energy: -77.720
Base-Backbone interact. energy: -0.167
local terms energy: -84.862963
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -95.062162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.062162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.062162 (E_RNA)
where:
Base-Base interactions energy: -33.540
where: short stacking energy: -32.078
Base-Backbone interact. energy: 0.596
local terms energy: -62.117917
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -19.661
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -5.822
tors. eta vs tors. theta energy: -4.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -94.066834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.066834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.066834 (E_RNA)
where:
Base-Base interactions energy: -31.406
where: short stacking energy: -27.239
Base-Backbone interact. energy: -0.409
local terms energy: -62.252656
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -307.304983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.304983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.304983 (E_RNA)
where:
Base-Base interactions energy: -214.832
where: short stacking energy: -77.608
Base-Backbone interact. energy: -0.551
local terms energy: -91.922169
where:
bonds (distance) C4'-P energy: -20.363
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -20.559
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -21.462
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: 2
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -298.814279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.814279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.814279 (E_RNA)
where:
Base-Base interactions energy: -195.262
where: short stacking energy: -87.230
Base-Backbone interact. energy: -0.003
local terms energy: -103.550054
where:
bonds (distance) C4'-P energy: -20.202
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -27.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -297.577777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.577777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.577777 (E_RNA)
where:
Base-Base interactions energy: -202.513
where: short stacking energy: -99.926
Base-Backbone interact. energy: -0.007
local terms energy: -95.057859
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -30.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -268.535800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.535800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.535800 (E_RNA)
where:
Base-Base interactions energy: -179.654
where: short stacking energy: -85.512
Base-Backbone interact. energy: -0.748
local terms energy: -88.133784
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -15.179
tors. eta vs tors. theta energy: -24.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -271.049150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.049150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.049150 (E_RNA)
where:
Base-Base interactions energy: -186.372
where: short stacking energy: -71.653
Base-Backbone interact. energy: -0.221
local terms energy: -84.456694
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -12.905
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -264.318260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.318260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.318260 (E_RNA)
where:
Base-Base interactions energy: -170.943
where: short stacking energy: -76.751
Base-Backbone interact. energy: 5.327
local terms energy: -98.702442
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -14.853
tors. eta vs tors. theta energy: -27.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -251.189498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.189498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.189498 (E_RNA)
where:
Base-Base interactions energy: -165.583
where: short stacking energy: -75.412
Base-Backbone interact. energy: -0.228
local terms energy: -85.378345
where:
bonds (distance) C4'-P energy: -19.315
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -12.753
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -260.648546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.648546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.648546 (E_RNA)
where:
Base-Base interactions energy: -191.059
where: short stacking energy: -74.556
Base-Backbone interact. energy: -1.116
local terms energy: -68.473550
where:
bonds (distance) C4'-P energy: -9.445
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -10.687
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -94.175550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.175550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.175550 (E_RNA)
where:
Base-Base interactions energy: -32.473
where: short stacking energy: -28.617
Base-Backbone interact. energy: -0.144
local terms energy: -61.558908
where:
bonds (distance) C4'-P energy: -18.819
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -7.773
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -4.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -99.138994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.138994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.138994 (E_RNA)
where:
Base-Base interactions energy: -30.798
where: short stacking energy: -30.798
Base-Backbone interact. energy: 0.958
local terms energy: -69.299005
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -314.590934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.590934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.590934 (E_RNA)
where:
Base-Base interactions energy: -221.685
where: short stacking energy: -80.809
Base-Backbone interact. energy: -0.589
local terms energy: -92.316905
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -21.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -296.050771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.050771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.050771 (E_RNA)
where:
Base-Base interactions energy: -201.548
where: short stacking energy: -88.661
Base-Backbone interact. energy: -0.147
local terms energy: -94.356062
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -16.426
tors. eta vs tors. theta energy: -26.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -290.920255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.920255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.920255 (E_RNA)
where:
Base-Base interactions energy: -202.071
where: short stacking energy: -84.584
Base-Backbone interact. energy: -1.004
local terms energy: -87.845768
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -293.236350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.236350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.236350 (E_RNA)
where:
Base-Base interactions energy: -198.365
where: short stacking energy: -77.853
Base-Backbone interact. energy: -0.177
local terms energy: -94.694284
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -266.532329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.532329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.532329 (E_RNA)
where:
Base-Base interactions energy: -178.829
where: short stacking energy: -81.814
Base-Backbone interact. energy: -1.233
local terms energy: -86.470577
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -16.480
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -261.136389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.136389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.136389 (E_RNA)
where:
Base-Base interactions energy: -174.218
where: short stacking energy: -85.340
Base-Backbone interact. energy: -0.105
local terms energy: -86.813697
where:
bonds (distance) C4'-P energy: -9.798
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -27.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -256.940311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.940311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.940311 (E_RNA)
where:
Base-Base interactions energy: -169.754
where: short stacking energy: -68.186
Base-Backbone interact. energy: -0.838
local terms energy: -86.348246
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -244.876268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.876268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.876268 (E_RNA)
where:
Base-Base interactions energy: -169.434
where: short stacking energy: -62.483
Base-Backbone interact. energy: -0.301
local terms energy: -75.140582
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -11.762
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: 9, replica: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -100.299056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.299056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.299056 (E_RNA)
where:
Base-Base interactions energy: -41.620
where: short stacking energy: -38.986
Base-Backbone interact. energy: -0.116
local terms energy: -58.563682
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -149.740455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.740455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.740455 (E_RNA)
where:
Base-Base interactions energy: -91.757
where: short stacking energy: -46.673
Base-Backbone interact. energy: -0.165
local terms energy: -57.818414
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -292.235693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.235693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.235693 (E_RNA)
where:
Base-Base interactions energy: -192.363
where: short stacking energy: -85.179
Base-Backbone interact. energy: -0.010
local terms energy: -99.862458
where:
bonds (distance) C4'-P energy: -19.091
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -14.852
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: 2, replica: 9
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -301.275096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.275096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.275096 (E_RNA)
where:
Base-Base interactions energy: -210.250
where: short stacking energy: -87.235
Base-Backbone interact. energy: -0.283
local terms energy: -90.742541
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -21.050
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -22.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -299.790044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.790044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.790044 (E_RNA)
where:
Base-Base interactions energy: -213.957
where: short stacking energy: -83.480
Base-Backbone interact. energy: 0.277
local terms energy: -86.110046
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -12.958
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -297.954241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.954241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.954241 (E_RNA)
where:
Base-Base interactions energy: -197.027
where: short stacking energy: -88.537
Base-Backbone interact. energy: -0.013
local terms energy: -100.914423
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -20.325
flat angles P-C4'-P energy: -17.658
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: 5, replica: 4
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -272.895005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.895005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.895005 (E_RNA)
where:
Base-Base interactions energy: -182.927
where: short stacking energy: -94.775
Base-Backbone interact. energy: -0.103
local terms energy: -89.865349
where:
bonds (distance) C4'-P energy: -20.255
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -26.956
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: 8
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -264.455699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.455699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.455699 (E_RNA)
where:
Base-Base interactions energy: -177.345
where: short stacking energy: -68.363
Base-Backbone interact. energy: -0.108
local terms energy: -87.002995
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -14.207
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: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -236.997406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.997406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.997406 (E_RNA)
where:
Base-Base interactions energy: -155.683
where: short stacking energy: -64.219
Base-Backbone interact. energy: -0.154
local terms energy: -81.160592
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -17.467
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -13.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -248.139359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.139359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.139359 (E_RNA)
where:
Base-Base interactions energy: -169.567
where: short stacking energy: -76.650
Base-Backbone interact. energy: -0.041
local terms energy: -78.532206
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -7.052
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -23.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -99.425877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.425877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.425877 (E_RNA)
where:
Base-Base interactions energy: -31.753
where: short stacking energy: -30.236
Base-Backbone interact. energy: 0.345
local terms energy: -68.017831
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -20.340
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -4.884
tors. eta vs tors. theta energy: -9.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -84.816699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.816699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.816699 (E_RNA)
where:
Base-Base interactions energy: -33.179
where: short stacking energy: -27.398
Base-Backbone interact. energy: 4.057
local terms energy: -55.694035
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -19.833
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: 5.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -286.903558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.903558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.903558 (E_RNA)
where:
Base-Base interactions energy: -202.489
where: short stacking energy: -85.762
Base-Backbone interact. energy: -0.126
local terms energy: -84.287996
where:
bonds (distance) C4'-P energy: -18.942
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -20.546
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: 435
Temperature: 0.950000
Total energy: -310.237974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.237974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.237974 (E_RNA)
where:
Base-Base interactions energy: -219.285
where: short stacking energy: -85.102
Base-Backbone interact. energy: -0.567
local terms energy: -90.385877
where:
bonds (distance) C4'-P energy: -18.127
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -19.940
flat angles P-C4'-P energy: -14.800
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: 3, replica: 9
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -299.380810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.380810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.380810 (E_RNA)
where:
Base-Base interactions energy: -209.204
where: short stacking energy: -84.949
Base-Backbone interact. energy: -0.585
local terms energy: -89.592221
where:
bonds (distance) C4'-P energy: -16.926
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -20.330
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -19.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -288.400188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.400188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.400188 (E_RNA)
where:
Base-Base interactions energy: -208.876
where: short stacking energy: -80.901
Base-Backbone interact. energy: -0.578
local terms energy: -78.946443
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -22.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -270.810600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.810600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.810600 (E_RNA)
where:
Base-Base interactions energy: -178.272
where: short stacking energy: -89.372
Base-Backbone interact. energy: 0.594
local terms energy: -93.132469
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -20.852
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -9.799
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: 6, replica: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -266.227404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.227404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.227404 (E_RNA)
where:
Base-Base interactions energy: -173.211
where: short stacking energy: -74.989
Base-Backbone interact. energy: -0.075
local terms energy: -92.941616
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -14.829
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: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -265.181823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.181823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.181823 (E_RNA)
where:
Base-Base interactions energy: -167.309
where: short stacking energy: -92.144
Base-Backbone interact. energy: -0.225
local terms energy: -97.647761
where:
bonds (distance) C4'-P energy: -18.786
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -23.698
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: 8, replica: 5
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -244.893295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.893295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.893295 (E_RNA)
where:
Base-Base interactions energy: -162.103
where: short stacking energy: -72.303
Base-Backbone interact. energy: -0.524
local terms energy: -82.266572
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -17.788
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -24.214
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: 435
Temperature: 1.300000
Total energy: -104.364481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.364481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.364481 (E_RNA)
where:
Base-Base interactions energy: -38.435
where: short stacking energy: -31.987
Base-Backbone interact. energy: -0.923
local terms energy: -65.006347
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -8.389
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: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -102.700655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.700655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.700655 (E_RNA)
where:
Base-Base interactions energy: -55.954
where: short stacking energy: -39.821
Base-Backbone interact. energy: -0.866
local terms energy: -45.881376
where:
bonds (distance) C4'-P energy: -6.532
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -4.472
tors. eta vs tors. theta energy: -4.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -307.676736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.676736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.676736 (E_RNA)
where:
Base-Base interactions energy: -221.912
where: short stacking energy: -84.331
Base-Backbone interact. energy: 0.152
local terms energy: -85.916734
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -18.978
flat angles C4'-P-C4' energy: -20.648
flat angles P-C4'-P energy: -12.752
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: 2, replica: 6
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -301.872754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.872754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.872754 (E_RNA)
where:
Base-Base interactions energy: -211.929
where: short stacking energy: -77.738
Base-Backbone interact. energy: -0.358
local terms energy: -89.585654
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -19.606
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -16.878
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -307.782108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.782108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.782108 (E_RNA)
where:
Base-Base interactions energy: -213.763
where: short stacking energy: -85.949
Base-Backbone interact. energy: -0.972
local terms energy: -93.047863
where:
bonds (distance) C4'-P energy: -19.121
bonds (distance) P-C4' energy: -19.205
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -13.628
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: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -286.820102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.820102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.820102 (E_RNA)
where:
Base-Base interactions energy: -199.726
where: short stacking energy: -84.310
Base-Backbone interact. energy: -0.022
local terms energy: -87.072233
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -17.056
flat angles P-C4'-P energy: -11.100
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: 5, replica: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -285.558737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.558737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.558737 (E_RNA)
where:
Base-Base interactions energy: -191.058
where: short stacking energy: -87.754
Base-Backbone interact. energy: -0.101
local terms energy: -94.399284
where:
bonds (distance) C4'-P energy: -17.490
bonds (distance) P-C4' energy: -20.957
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -14.523
tors. eta vs tors. theta energy: -21.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -280.234668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.234668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.234668 (E_RNA)
where:
Base-Base interactions energy: -187.210
where: short stacking energy: -92.770
Base-Backbone interact. energy: -0.004
local terms energy: -93.020835
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -13.031
tors. eta vs tors. theta energy: -24.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -241.595199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.595199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.595199 (E_RNA)
where:
Base-Base interactions energy: -164.681
where: short stacking energy: -70.544
Base-Backbone interact. energy: 0.552
local terms energy: -77.466215
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -19.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -208.426928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.426928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.426928 (E_RNA)
where:
Base-Base interactions energy: -136.384
where: short stacking energy: -60.252
Base-Backbone interact. energy: -0.230
local terms energy: -71.812606
where:
bonds (distance) C4'-P energy: -14.337
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -7.948
tors. eta vs tors. theta energy: -20.981
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: 436
Temperature: 1.300000
Total energy: -100.832343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.832343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.832343 (E_RNA)
where:
Base-Base interactions energy: -51.792
where: short stacking energy: -47.302
Base-Backbone interact. energy: -0.234
local terms energy: -48.806027
where:
bonds (distance) C4'-P energy: -2.711
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -3.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -91.912771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.912771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.912771 (E_RNA)
where:
Base-Base interactions energy: -30.299
where: short stacking energy: -25.361
Base-Backbone interact. energy: 0.469
local terms energy: -62.083038
where:
bonds (distance) C4'-P energy: -20.565
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -8.446
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -2.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -307.994085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.994085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.994085 (E_RNA)
where:
Base-Base interactions energy: -214.876
where: short stacking energy: -81.527
Base-Backbone interact. energy: -0.115
local terms energy: -93.003075
where:
bonds (distance) C4'-P energy: -21.149
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -20.553
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -18.765
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: 9
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -309.109546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.109546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.109546 (E_RNA)
where:
Base-Base interactions energy: -213.335
where: short stacking energy: -86.230
Base-Backbone interact. energy: -1.010
local terms energy: -94.764203
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -20.266
flat angles C4'-P-C4' energy: -19.199
flat angles P-C4'-P energy: -15.095
tors. eta vs tors. theta energy: -19.353
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: 6
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -277.038508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.038508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.038508 (E_RNA)
where:
Base-Base interactions energy: -182.125
where: short stacking energy: -84.858
Base-Backbone interact. energy: -0.145
local terms energy: -94.768317
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -19.269
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -16.512
tors. eta vs tors. theta energy: -24.795
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: 4, replica: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -298.979094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.979094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.979094 (E_RNA)
where:
Base-Base interactions energy: -205.170
where: short stacking energy: -91.714
Base-Backbone interact. energy: -0.092
local terms energy: -93.716858
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -19.767
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -23.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -273.563524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.563524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.563524 (E_RNA)
where:
Base-Base interactions energy: -186.405
where: short stacking energy: -82.073
Base-Backbone interact. energy: -0.595
local terms energy: -86.563060
where:
bonds (distance) C4'-P energy: -19.428
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -6.905
tors. eta vs tors. theta energy: -23.150
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: 10
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -256.898105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.898105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.898105 (E_RNA)
where:
Base-Base interactions energy: -164.863
where: short stacking energy: -77.208
Base-Backbone interact. energy: -0.085
local terms energy: -91.949844
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -12.606
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: 7, replica: 4
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -262.239029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.239029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.239029 (E_RNA)
where:
Base-Base interactions energy: -168.708
where: short stacking energy: -86.014
Base-Backbone interact. energy: -0.043
local terms energy: -93.488017
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -13.067
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: 8, replica: 5
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -214.681612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.681612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.681612 (E_RNA)
where:
Base-Base interactions energy: -138.409
where: short stacking energy: -69.492
Base-Backbone interact. energy: -0.230
local terms energy: -76.042404
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -7.055
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: 9, replica: 1
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -100.048986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.048986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.048986 (E_RNA)
where:
Base-Base interactions energy: -35.926
where: short stacking energy: -28.507
Base-Backbone interact. energy: -0.330
local terms energy: -63.792601
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: 0.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -86.345121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.345121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.345121 (E_RNA)
where:
Base-Base interactions energy: -36.049
where: short stacking energy: -28.933
Base-Backbone interact. energy: -0.234
local terms energy: -50.062362
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -5.856
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: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -302.782864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.782864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.782864 (E_RNA)
where:
Base-Base interactions energy: -209.969
where: short stacking energy: -90.477
Base-Backbone interact. energy: 1.850
local terms energy: -94.663341
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -22.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -304.696957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.696957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.696957 (E_RNA)
where:
Base-Base interactions energy: -211.253
where: short stacking energy: -88.138
Base-Backbone interact. energy: -0.396
local terms energy: -93.048008
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -22.681
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: -23.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -288.495725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.495725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.495725 (E_RNA)
where:
Base-Base interactions energy: -205.693
where: short stacking energy: -74.453
Base-Backbone interact. energy: -0.767
local terms energy: -82.035660
where:
bonds (distance) C4'-P energy: -19.970
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -269.429552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.429552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.429552 (E_RNA)
where:
Base-Base interactions energy: -174.128
where: short stacking energy: -81.124
Base-Backbone interact. energy: -0.290
local terms energy: -95.011704
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -21.473
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -24.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -260.797469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.797469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.797469 (E_RNA)
where:
Base-Base interactions energy: -174.309
where: short stacking energy: -75.671
Base-Backbone interact. energy: -0.505
local terms energy: -85.983444
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -17.755
flat angles P-C4'-P energy: -8.992
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: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -261.478982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.478982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.478982 (E_RNA)
where:
Base-Base interactions energy: -173.669
where: short stacking energy: -69.067
Base-Backbone interact. energy: 1.814
local terms energy: -89.623544
where:
bonds (distance) C4'-P energy: -20.302
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -17.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -262.183461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.183461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.183461 (E_RNA)
where:
Base-Base interactions energy: -167.698
where: short stacking energy: -78.909
Base-Backbone interact. energy: -0.436
local terms energy: -94.049547
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -22.264
flat angles P-C4'-P energy: -14.501
tors. eta vs tors. theta energy: -22.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -242.285951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.285951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.285951 (E_RNA)
where:
Base-Base interactions energy: -154.157
where: short stacking energy: -69.329
Base-Backbone interact. energy: -0.880
local terms energy: -87.249003
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -12.727
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: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -104.074633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.074633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.074633 (E_RNA)
where:
Base-Base interactions energy: -44.429
where: short stacking energy: -37.211
Base-Backbone interact. energy: -0.406
local terms energy: -59.239658
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -106.041509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.041509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.041509 (E_RNA)
where:
Base-Base interactions energy: -58.503
where: short stacking energy: -34.446
Base-Backbone interact. energy: 0.340
local terms energy: -47.878039
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -5.343
tors. eta vs tors. theta energy: 0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -314.100336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.100336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.100336 (E_RNA)
where:
Base-Base interactions energy: -218.955
where: short stacking energy: -91.929
Base-Backbone interact. energy: -0.507
local terms energy: -94.637672
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -21.487
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -22.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -292.972836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.972836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.972836 (E_RNA)
where:
Base-Base interactions energy: -194.369
where: short stacking energy: -89.060
Base-Backbone interact. energy: -1.028
local terms energy: -97.576034
where:
bonds (distance) C4'-P energy: -19.990
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -22.422
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -22.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -289.467499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.467499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.467499 (E_RNA)
where:
Base-Base interactions energy: -197.495
where: short stacking energy: -77.587
Base-Backbone interact. energy: -0.040
local terms energy: -91.932943
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -21.244
flat angles P-C4'-P energy: -13.641
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: 4, replica: 6
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -267.842164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.842164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.842164 (E_RNA)
where:
Base-Base interactions energy: -172.474
where: short stacking energy: -77.876
Base-Backbone interact. energy: -0.578
local terms energy: -94.789852
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -23.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -269.748353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.748353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.748353 (E_RNA)
where:
Base-Base interactions energy: -179.437
where: short stacking energy: -84.821
Base-Backbone interact. energy: 1.067
local terms energy: -91.378027
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -16.092
tors. eta vs tors. theta energy: -21.587
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: 4
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -258.190055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.190055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.190055 (E_RNA)
where:
Base-Base interactions energy: -178.248
where: short stacking energy: -78.777
Base-Backbone interact. energy: -0.118
local terms energy: -79.824019
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -23.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -268.799352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.799352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.799352 (E_RNA)
where:
Base-Base interactions energy: -189.175
where: short stacking energy: -78.263
Base-Backbone interact. energy: -0.022
local terms energy: -79.601566
where:
bonds (distance) C4'-P energy: -12.086
bonds (distance) P-C4' energy: -22.881
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -5.581
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: 8, replica: 5
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -248.596054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.596054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.596054 (E_RNA)
where:
Base-Base interactions energy: -167.411
where: short stacking energy: -82.785
Base-Backbone interact. energy: -0.104
local terms energy: -81.081633
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -21.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -105.891906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.891906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.891906 (E_RNA)
where:
Base-Base interactions energy: -45.863
where: short stacking energy: -35.674
Base-Backbone interact. energy: -0.302
local terms energy: -59.727113
where:
bonds (distance) C4'-P energy: -18.972
bonds (distance) P-C4' energy: -13.935
flat angles C4'-P-C4' energy: -12.750
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -102.261771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.261771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.261771 (E_RNA)
where:
Base-Base interactions energy: -36.451
where: short stacking energy: -36.451
Base-Backbone interact. energy: -0.015
local terms energy: -65.795720
where:
bonds (distance) C4'-P energy: -20.268
bonds (distance) P-C4' energy: -18.723
flat angles C4'-P-C4' energy: -10.399
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -10.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -307.765120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.765120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.765120 (E_RNA)
where:
Base-Base interactions energy: -217.535
where: short stacking energy: -88.171
Base-Backbone interact. energy: -0.425
local terms energy: -89.805202
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -20.135
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -291.593825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.593825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.593825 (E_RNA)
where:
Base-Base interactions energy: -193.260
where: short stacking energy: -88.429
Base-Backbone interact. energy: -0.013
local terms energy: -98.321051
where:
bonds (distance) C4'-P energy: -19.401
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -21.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -298.236995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.236995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.236995 (E_RNA)
where:
Base-Base interactions energy: -205.230
where: short stacking energy: -82.234
Base-Backbone interact. energy: -0.314
local terms energy: -92.693442
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -16.899
tors. eta vs tors. theta energy: -18.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -285.975107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.975107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.975107 (E_RNA)
where:
Base-Base interactions energy: -203.714
where: short stacking energy: -81.035
Base-Backbone interact. energy: -0.523
local terms energy: -81.738042
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -21.556
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -274.715547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.715547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.715547 (E_RNA)
where:
Base-Base interactions energy: -194.674
where: short stacking energy: -92.009
Base-Backbone interact. energy: -0.760
local terms energy: -79.281895
where:
bonds (distance) C4'-P energy: -19.829
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -23.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -265.660923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.660923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.660923 (E_RNA)
where:
Base-Base interactions energy: -175.573
where: short stacking energy: -80.342
Base-Backbone interact. energy: -0.663
local terms energy: -89.425371
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -14.616
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: 7, replica: 5
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -251.441894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.441894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.441894 (E_RNA)
where:
Base-Base interactions energy: -174.697
where: short stacking energy: -70.261
Base-Backbone interact. energy: -0.020
local terms energy: -76.724323
where:
bonds (distance) C4'-P energy: -7.485
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -22.019
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: 10
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -241.284672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.284672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.284672 (E_RNA)
where:
Base-Base interactions energy: -156.196
where: short stacking energy: -74.000
Base-Backbone interact. energy: -0.260
local terms energy: -84.828064
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -21.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -114.309030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.309030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.309030 (E_RNA)
where:
Base-Base interactions energy: -55.068
where: short stacking energy: -27.038
Base-Backbone interact. energy: 1.342
local terms energy: -60.582869
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -103.550113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.550113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.550113 (E_RNA)
where:
Base-Base interactions energy: -37.082
where: short stacking energy: -34.686
Base-Backbone interact. energy: -0.052
local terms energy: -66.416471
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -18.293
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -310.720688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.720688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.720688 (E_RNA)
where:
Base-Base interactions energy: -217.594
where: short stacking energy: -90.892
Base-Backbone interact. energy: -0.793
local terms energy: -92.333825
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -297.428818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.428818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.428818 (E_RNA)
where:
Base-Base interactions energy: -201.481
where: short stacking energy: -88.590
Base-Backbone interact. energy: -0.016
local terms energy: -95.932609
where:
bonds (distance) C4'-P energy: -19.788
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -22.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -290.912070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.912070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.912070 (E_RNA)
where:
Base-Base interactions energy: -193.617
where: short stacking energy: -95.378
Base-Backbone interact. energy: -0.228
local terms energy: -97.066394
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -23.120
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -25.348
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: 441
Temperature: 1.050000
Total energy: -269.922102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.922102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.922102 (E_RNA)
where:
Base-Base interactions energy: -174.510
where: short stacking energy: -88.266
Base-Backbone interact. energy: -0.448
local terms energy: -94.963940
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -20.899
flat angles P-C4'-P energy: -13.472
tors. eta vs tors. theta energy: -25.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -277.884645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.884645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.884645 (E_RNA)
where:
Base-Base interactions energy: -188.596
where: short stacking energy: -72.807
Base-Backbone interact. energy: -0.132
local terms energy: -89.156333
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -21.635
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -21.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -267.453695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.453695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.453695 (E_RNA)
where:
Base-Base interactions energy: -181.064
where: short stacking energy: -83.531
Base-Backbone interact. energy: -0.067
local terms energy: -86.322318
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -12.563
tors. eta vs tors. theta energy: -24.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -252.684013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.684013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.684013 (E_RNA)
where:
Base-Base interactions energy: -171.724
where: short stacking energy: -75.035
Base-Backbone interact. energy: -0.332
local terms energy: -80.628035
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -13.073
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -24.487
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: 10
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -249.137531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.137531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.137531 (E_RNA)
where:
Base-Base interactions energy: -165.211
where: short stacking energy: -69.775
Base-Backbone interact. energy: -0.004
local terms energy: -83.922442
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -19.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -106.294176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.294176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.294176 (E_RNA)
where:
Base-Base interactions energy: -38.798
where: short stacking energy: -31.275
Base-Backbone interact. energy: -0.230
local terms energy: -67.266149
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -113.081469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.081469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.081469 (E_RNA)
where:
Base-Base interactions energy: -51.575
where: short stacking energy: -34.009
Base-Backbone interact. energy: -0.050
local terms energy: -61.457163
where:
bonds (distance) C4'-P energy: -18.289
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -1.871
tors. eta vs tors. theta energy: -3.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -317.654317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.654317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.654317 (E_RNA)
where:
Base-Base interactions energy: -211.218
where: short stacking energy: -96.452
Base-Backbone interact. energy: -0.308
local terms energy: -106.128282
where:
bonds (distance) C4'-P energy: -19.382
bonds (distance) P-C4' energy: -22.010
flat angles C4'-P-C4' energy: -22.361
flat angles P-C4'-P energy: -15.823
tors. eta vs tors. theta energy: -26.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -307.356684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.356684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.356684 (E_RNA)
where:
Base-Base interactions energy: -213.813
where: short stacking energy: -81.568
Base-Backbone interact. energy: -0.157
local terms energy: -93.386338
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -19.663
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -16.908
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: 3, replica: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -280.810031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.810031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.810031 (E_RNA)
where:
Base-Base interactions energy: -185.307
where: short stacking energy: -93.299
Base-Backbone interact. energy: -0.031
local terms energy: -95.471214
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -24.973
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: 442
Temperature: 1.050000
Total energy: -286.189712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.189712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.189712 (E_RNA)
where:
Base-Base interactions energy: -182.126
where: short stacking energy: -92.388
Base-Backbone interact. energy: -0.023
local terms energy: -104.041009
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -21.147
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -27.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -272.082948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.082948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.082948 (E_RNA)
where:
Base-Base interactions energy: -186.135
where: short stacking energy: -85.138
Base-Backbone interact. energy: -0.144
local terms energy: -85.803767
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -282.088030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.088030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.088030 (E_RNA)
where:
Base-Base interactions energy: -188.418
where: short stacking energy: -81.595
Base-Backbone interact. energy: -0.165
local terms energy: -93.504836
where:
bonds (distance) C4'-P energy: -19.824
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -18.423
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -22.588
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: 7, replica: 5
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -248.942789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.942789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.942789 (E_RNA)
where:
Base-Base interactions energy: -164.574
where: short stacking energy: -76.247
Base-Backbone interact. energy: 0.578
local terms energy: -84.947456
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: -22.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -235.808796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.808796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.808796 (E_RNA)
where:
Base-Base interactions energy: -151.779
where: short stacking energy: -72.260
Base-Backbone interact. energy: -0.210
local terms energy: -83.819492
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -17.027
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: 9, replica: 3
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -119.102714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.102714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.102714 (E_RNA)
where:
Base-Base interactions energy: -54.607
where: short stacking energy: -41.551
Base-Backbone interact. energy: 0.709
local terms energy: -65.205204
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -89.071364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.071364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.071364 (E_RNA)
where:
Base-Base interactions energy: -28.315
where: short stacking energy: -27.333
Base-Backbone interact. energy: -0.268
local terms energy: -60.488670
where:
bonds (distance) C4'-P energy: -18.711
bonds (distance) P-C4' energy: -18.726
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -2.471
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: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -314.093861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.093861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.093861 (E_RNA)
where:
Base-Base interactions energy: -219.417
where: short stacking energy: -95.430
Base-Backbone interact. energy: -0.005
local terms energy: -94.672062
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -23.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -323.618880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.618880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.618880 (E_RNA)
where:
Base-Base interactions energy: -218.717
where: short stacking energy: -85.071
Base-Backbone interact. energy: -1.615
local terms energy: -103.286323
where:
bonds (distance) C4'-P energy: -20.404
bonds (distance) P-C4' energy: -21.303
flat angles C4'-P-C4' energy: -23.752
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -24.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -271.735266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.735266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.735266 (E_RNA)
where:
Base-Base interactions energy: -180.074
where: short stacking energy: -90.292
Base-Backbone interact. energy: -0.002
local terms energy: -91.658841
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -27.847
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: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -287.592357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.592357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.592357 (E_RNA)
where:
Base-Base interactions energy: -194.667
where: short stacking energy: -98.086
Base-Backbone interact. energy: -0.004
local terms energy: -92.921335
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -22.106
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -26.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -274.733255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.733255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.733255 (E_RNA)
where:
Base-Base interactions energy: -189.788
where: short stacking energy: -86.653
Base-Backbone interact. energy: -0.876
local terms energy: -84.068913
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -14.678
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: 6, replica: 5
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -264.328529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.328529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.328529 (E_RNA)
where:
Base-Base interactions energy: -184.422
where: short stacking energy: -90.996
Base-Backbone interact. energy: -0.006
local terms energy: -79.900305
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -7.799
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -27.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -282.658120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.658120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.658120 (E_RNA)
where:
Base-Base interactions energy: -195.351
where: short stacking energy: -81.459
Base-Backbone interact. energy: -0.008
local terms energy: -87.299257
where:
bonds (distance) C4'-P energy: -18.987
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -22.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -258.315209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.315209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.315209 (E_RNA)
where:
Base-Base interactions energy: -176.380
where: short stacking energy: -83.174
Base-Backbone interact. energy: -0.726
local terms energy: -81.209553
where:
bonds (distance) C4'-P energy: -13.840
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -24.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -111.575537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.575537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.575537 (E_RNA)
where:
Base-Base interactions energy: -49.294
where: short stacking energy: -43.166
Base-Backbone interact. energy: -0.377
local terms energy: -61.904107
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -4.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -98.766470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.766470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.766470 (E_RNA)
where:
Base-Base interactions energy: -30.002
where: short stacking energy: -29.456
Base-Backbone interact. energy: -0.042
local terms energy: -68.722385
where:
bonds (distance) C4'-P energy: -19.191
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -303.245577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.245577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.245577 (E_RNA)
where:
Base-Base interactions energy: -209.227
where: short stacking energy: -76.393
Base-Backbone interact. energy: 0.126
local terms energy: -94.143967
where:
bonds (distance) C4'-P energy: -23.654
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -24.421
flat angles P-C4'-P energy: -12.300
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: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -300.051059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.051059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.051059 (E_RNA)
where:
Base-Base interactions energy: -205.702
where: short stacking energy: -91.913
Base-Backbone interact. energy: -0.005
local terms energy: -94.343798
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -15.826
flat angles C4'-P-C4' energy: -19.828
flat angles P-C4'-P energy: -16.203
tors. eta vs tors. theta energy: -24.001
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: 3, replica: 6
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -295.384949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.384949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.384949 (E_RNA)
where:
Base-Base interactions energy: -193.069
where: short stacking energy: -86.302
Base-Backbone interact. energy: -0.011
local terms energy: -102.305721
where:
bonds (distance) C4'-P energy: -20.346
bonds (distance) P-C4' energy: -20.828
flat angles C4'-P-C4' energy: -19.890
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -25.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -284.210652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.210652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.210652 (E_RNA)
where:
Base-Base interactions energy: -190.859
where: short stacking energy: -75.633
Base-Backbone interact. energy: -0.267
local terms energy: -93.084748
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -21.954
flat angles C4'-P-C4' energy: -21.707
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -18.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -278.916825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.916825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.916825 (E_RNA)
where:
Base-Base interactions energy: -184.274
where: short stacking energy: -82.588
Base-Backbone interact. energy: -0.024
local terms energy: -94.618217
where:
bonds (distance) C4'-P energy: -22.259
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -25.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -267.678747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.678747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.678747 (E_RNA)
where:
Base-Base interactions energy: -173.808
where: short stacking energy: -75.175
Base-Backbone interact. energy: -0.341
local terms energy: -93.530111
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -16.927
tors. eta vs tors. theta energy: -21.298
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: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -244.233732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.233732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.233732 (E_RNA)
where:
Base-Base interactions energy: -162.097
where: short stacking energy: -78.527
Base-Backbone interact. energy: -0.968
local terms energy: -81.168770
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -19.214
flat angles P-C4'-P energy: -10.964
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: 8, replica: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -240.342916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.342916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.342916 (E_RNA)
where:
Base-Base interactions energy: -170.995
where: short stacking energy: -69.229
Base-Backbone interact. energy: -0.215
local terms energy: -69.132958
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -10.416
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -92.612210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.612210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.612210 (E_RNA)
where:
Base-Base interactions energy: -32.606
where: short stacking energy: -24.544
Base-Backbone interact. energy: 1.388
local terms energy: -61.394411
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -3.230
tors. eta vs tors. theta energy: -2.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -97.298119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.298119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.298119 (E_RNA)
where:
Base-Base interactions energy: -32.669
where: short stacking energy: -29.122
Base-Backbone interact. energy: -0.201
local terms energy: -64.428100
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -4.044
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: 9
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -308.349593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.349593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.349593 (E_RNA)
where:
Base-Base interactions energy: -216.408
where: short stacking energy: -79.313
Base-Backbone interact. energy: -0.238
local terms energy: -91.703867
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -19.737
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -20.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -302.240185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.240185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.240185 (E_RNA)
where:
Base-Base interactions energy: -207.904
where: short stacking energy: -100.726
Base-Backbone interact. energy: -0.024
local terms energy: -94.312155
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -20.998
flat angles P-C4'-P energy: -12.100
tors. eta vs tors. theta energy: -25.675
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: 2
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -312.319597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.319597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.319597 (E_RNA)
where:
Base-Base interactions energy: -214.483
where: short stacking energy: -89.835
Base-Backbone interact. energy: 0.172
local terms energy: -98.008366
where:
bonds (distance) C4'-P energy: -12.624
bonds (distance) P-C4' energy: -21.533
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -24.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -275.992261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.992261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.992261 (E_RNA)
where:
Base-Base interactions energy: -177.662
where: short stacking energy: -81.717
Base-Backbone interact. energy: -0.859
local terms energy: -97.471880
where:
bonds (distance) C4'-P energy: -16.848
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -24.315
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: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -274.906596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.906596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.906596 (E_RNA)
where:
Base-Base interactions energy: -179.018
where: short stacking energy: -85.116
Base-Backbone interact. energy: -0.405
local terms energy: -95.483346
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -19.714
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -22.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -258.067216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.067216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.067216 (E_RNA)
where:
Base-Base interactions energy: -164.307
where: short stacking energy: -79.121
Base-Backbone interact. energy: -0.139
local terms energy: -93.621678
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -23.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -251.635749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.635749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.635749 (E_RNA)
where:
Base-Base interactions energy: -174.647
where: short stacking energy: -79.569
Base-Backbone interact. energy: -0.082
local terms energy: -76.906904
where:
bonds (distance) C4'-P energy: -11.255
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -23.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -257.760926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.760926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.760926 (E_RNA)
where:
Base-Base interactions energy: -178.491
where: short stacking energy: -70.032
Base-Backbone interact. energy: -0.088
local terms energy: -79.181806
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -12.939
tors. eta vs tors. theta energy: -16.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -89.643481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.643481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.643481 (E_RNA)
where:
Base-Base interactions energy: -26.200
where: short stacking energy: -26.200
Base-Backbone interact. energy: -0.249
local terms energy: -63.194387
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -19.911
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -3.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -120.032211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.032211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.032211 (E_RNA)
where:
Base-Base interactions energy: -64.788
where: short stacking energy: -27.818
Base-Backbone interact. energy: -0.574
local terms energy: -54.671108
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -10.562
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -0.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -317.010801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.010801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.010801 (E_RNA)
where:
Base-Base interactions energy: -215.597
where: short stacking energy: -94.414
Base-Backbone interact. energy: -0.257
local terms energy: -101.156997
where:
bonds (distance) C4'-P energy: -17.200
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -307.369404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.369404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.369404 (E_RNA)
where:
Base-Base interactions energy: -215.416
where: short stacking energy: -85.867
Base-Backbone interact. energy: 0.289
local terms energy: -92.241436
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -20.040
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -294.332962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.332962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.332962 (E_RNA)
where:
Base-Base interactions energy: -192.822
where: short stacking energy: -85.148
Base-Backbone interact. energy: -0.044
local terms energy: -101.467225
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -22.216
flat angles P-C4'-P energy: -17.580
tors. eta vs tors. theta energy: -22.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -297.115151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.115151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.115151 (E_RNA)
where:
Base-Base interactions energy: -195.149
where: short stacking energy: -84.312
Base-Backbone interact. energy: -0.033
local terms energy: -101.932813
where:
bonds (distance) C4'-P energy: -22.362
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -19.911
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -22.517
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: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -271.980704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.980704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.980704 (E_RNA)
where:
Base-Base interactions energy: -177.154
where: short stacking energy: -80.883
Base-Backbone interact. energy: -0.959
local terms energy: -93.867863
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -15.019
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: 6, replica: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -265.381912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.381912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.381912 (E_RNA)
where:
Base-Base interactions energy: -174.806
where: short stacking energy: -82.614
Base-Backbone interact. energy: -0.136
local terms energy: -90.440017
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -20.033
flat angles C4'-P-C4' energy: -23.062
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -23.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -269.495084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.495084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.495084 (E_RNA)
where:
Base-Base interactions energy: -189.874
where: short stacking energy: -79.189
Base-Backbone interact. energy: 0.357
local terms energy: -79.978208
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -19.870
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: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -257.470452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.470452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.470452 (E_RNA)
where:
Base-Base interactions energy: -170.046
where: short stacking energy: -76.606
Base-Backbone interact. energy: -0.120
local terms energy: -87.305240
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -24.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -105.963611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.963611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.963611 (E_RNA)
where:
Base-Base interactions energy: -40.683
where: short stacking energy: -40.683
Base-Backbone interact. energy: -0.010
local terms energy: -65.270133
where:
bonds (distance) C4'-P energy: -19.716
bonds (distance) P-C4' energy: -19.514
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -3.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -84.363922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.363922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.363922 (E_RNA)
where:
Base-Base interactions energy: -31.938
where: short stacking energy: -29.836
Base-Backbone interact. energy: -0.333
local terms energy: -52.093031
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: 5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -311.850033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.850033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.850033 (E_RNA)
where:
Base-Base interactions energy: -209.372
where: short stacking energy: -95.770
Base-Backbone interact. energy: 0.376
local terms energy: -102.853683
where:
bonds (distance) C4'-P energy: -17.717
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -18.045
tors. eta vs tors. theta energy: -24.595
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: 9
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -304.662644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.662644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.662644 (E_RNA)
where:
Base-Base interactions energy: -210.425
where: short stacking energy: -75.648
Base-Backbone interact. energy: -0.373
local terms energy: -93.865162
where:
bonds (distance) C4'-P energy: -19.904
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -22.768
flat angles P-C4'-P energy: -16.946
tors. eta vs tors. theta energy: -17.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -301.441350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.441350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.441350 (E_RNA)
where:
Base-Base interactions energy: -209.471
where: short stacking energy: -87.007
Base-Backbone interact. energy: -0.468
local terms energy: -91.502815
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -24.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -278.821937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.821937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.821937 (E_RNA)
where:
Base-Base interactions energy: -185.788
where: short stacking energy: -87.478
Base-Backbone interact. energy: -0.005
local terms energy: -93.029038
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -16.229
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -24.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -277.999288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.999288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.999288 (E_RNA)
where:
Base-Base interactions energy: -185.009
where: short stacking energy: -80.635
Base-Backbone interact. energy: -1.160
local terms energy: -91.829665
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -14.846
tors. eta vs tors. theta energy: -20.609
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: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -273.339816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.339816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.339816 (E_RNA)
where:
Base-Base interactions energy: -196.324
where: short stacking energy: -73.811
Base-Backbone interact. energy: 0.176
local terms energy: -77.191643
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -17.427
flat angles C4'-P-C4' energy: -18.563
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -265.006923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.006923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.006923 (E_RNA)
where:
Base-Base interactions energy: -173.108
where: short stacking energy: -78.822
Base-Backbone interact. energy: -0.054
local terms energy: -91.844959
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -21.445
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -8.532
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: 8, replica: 10
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -266.387608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.387608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.387608 (E_RNA)
where:
Base-Base interactions energy: -174.235
where: short stacking energy: -84.059
Base-Backbone interact. energy: -0.107
local terms energy: -92.045662
where:
bonds (distance) C4'-P energy: -17.259
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -23.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -103.203864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.203864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.203864 (E_RNA)
where:
Base-Base interactions energy: -46.375
where: short stacking energy: -32.162
Base-Backbone interact. energy: 0.674
local terms energy: -57.503227
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -10.852
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -96.011366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.011366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.011366 (E_RNA)
where:
Base-Base interactions energy: -30.817
where: short stacking energy: -23.014
Base-Backbone interact. energy: -1.621
local terms energy: -63.574324
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -12.806
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: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -297.119500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.119500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.119500 (E_RNA)
where:
Base-Base interactions energy: -214.274
where: short stacking energy: -76.947
Base-Backbone interact. energy: -0.494
local terms energy: -82.351542
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -20.448
flat angles P-C4'-P energy: -14.812
tors. eta vs tors. theta energy: -16.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -289.180435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.180435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.180435 (E_RNA)
where:
Base-Base interactions energy: -195.140
where: short stacking energy: -83.876
Base-Backbone interact. energy: -0.328
local terms energy: -93.712145
where:
bonds (distance) C4'-P energy: -16.968
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -21.160
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -306.976976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.976976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.976976 (E_RNA)
where:
Base-Base interactions energy: -212.220
where: short stacking energy: -86.973
Base-Backbone interact. energy: -0.771
local terms energy: -93.985430
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -23.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -265.096799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.096799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.096799 (E_RNA)
where:
Base-Base interactions energy: -177.242
where: short stacking energy: -76.893
Base-Backbone interact. energy: -0.079
local terms energy: -87.775951
where:
bonds (distance) C4'-P energy: -19.072
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -24.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -278.710032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.710032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.710032 (E_RNA)
where:
Base-Base interactions energy: -194.022
where: short stacking energy: -81.666
Base-Backbone interact. energy: 0.061
local terms energy: -84.748575
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -12.170
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: 6, replica: 8
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -285.276350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.276350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.276350 (E_RNA)
where:
Base-Base interactions energy: -192.596
where: short stacking energy: -79.387
Base-Backbone interact. energy: -0.013
local terms energy: -92.667355
where:
bonds (distance) C4'-P energy: -18.773
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -24.599
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: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -253.780042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.780042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.780042 (E_RNA)
where:
Base-Base interactions energy: -175.143
where: short stacking energy: -78.037
Base-Backbone interact. energy: 1.759
local terms energy: -80.396062
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -252.793679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.793679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.793679 (E_RNA)
where:
Base-Base interactions energy: -170.906
where: short stacking energy: -79.748
Base-Backbone interact. energy: 2.805
local terms energy: -84.692708
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -21.341
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -9.841
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: 9, replica: 1
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -99.403431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.403431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.403431 (E_RNA)
where:
Base-Base interactions energy: -38.182
where: short stacking energy: -30.179
Base-Backbone interact. energy: -0.134
local terms energy: -61.087291
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -1.325
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: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -97.021400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.021400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.021400 (E_RNA)
where:
Base-Base interactions energy: -36.297
where: short stacking energy: -35.276
Base-Backbone interact. energy: -0.696
local terms energy: -60.028090
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -21.006
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -5.170
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: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -303.577218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.577218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.577218 (E_RNA)
where:
Base-Base interactions energy: -211.228
where: short stacking energy: -86.373
Base-Backbone interact. energy: -0.284
local terms energy: -92.065280
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -19.596
flat angles C4'-P-C4' energy: -23.912
flat angles P-C4'-P energy: -11.553
tors. eta vs tors. theta energy: -19.705
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: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -314.894761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.894761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.894761 (E_RNA)
where:
Base-Base interactions energy: -211.671
where: short stacking energy: -91.988
Base-Backbone interact. energy: -0.965
local terms energy: -102.259044
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -17.680
tors. eta vs tors. theta energy: -23.856
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: 6
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -273.263175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.263175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.263175 (E_RNA)
where:
Base-Base interactions energy: -176.465
where: short stacking energy: -91.199
Base-Backbone interact. energy: -0.101
local terms energy: -96.696813
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -20.934
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -23.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -291.228684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.228684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.228684 (E_RNA)
where:
Base-Base interactions energy: -206.011
where: short stacking energy: -81.760
Base-Backbone interact. energy: -0.108
local terms energy: -85.108793
where:
bonds (distance) C4'-P energy: -19.104
bonds (distance) P-C4' energy: -10.655
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -14.580
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: 5, replica: 5
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -262.515342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.515342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.515342 (E_RNA)
where:
Base-Base interactions energy: -170.193
where: short stacking energy: -81.355
Base-Backbone interact. energy: -0.071
local terms energy: -92.251316
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -23.259
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -22.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -261.218151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.218151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.218151 (E_RNA)
where:
Base-Base interactions energy: -176.747
where: short stacking energy: -81.522
Base-Backbone interact. energy: -1.244
local terms energy: -83.227318
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -10.671
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: 7, replica: 8
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -247.462501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.462501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.462501 (E_RNA)
where:
Base-Base interactions energy: -167.337
where: short stacking energy: -69.917
Base-Backbone interact. energy: -0.302
local terms energy: -79.823503
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -15.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -255.748746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.748746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.748746 (E_RNA)
where:
Base-Base interactions energy: -163.059
where: short stacking energy: -79.033
Base-Backbone interact. energy: -0.298
local terms energy: -92.392211
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -24.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -89.006336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.006336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.006336 (E_RNA)
where:
Base-Base interactions energy: -37.997
where: short stacking energy: -35.766
Base-Backbone interact. energy: -0.506
local terms energy: -50.503392
where:
bonds (distance) C4'-P energy: -6.857
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -9.437
tors. eta vs tors. theta energy: -0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -95.161739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.161739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.161739 (E_RNA)
where:
Base-Base interactions energy: -35.075
where: short stacking energy: -34.888
Base-Backbone interact. energy: -0.088
local terms energy: -59.998969
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -14.048
tors. eta vs tors. theta energy: -4.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -317.576328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.576328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.576328 (E_RNA)
where:
Base-Base interactions energy: -211.443
where: short stacking energy: -90.950
Base-Backbone interact. energy: -2.669
local terms energy: -103.464012
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -22.288
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -16.842
tors. eta vs tors. theta energy: -26.927
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: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -301.717584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.717584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.717584 (E_RNA)
where:
Base-Base interactions energy: -209.426
where: short stacking energy: -82.593
Base-Backbone interact. energy: -0.967
local terms energy: -91.324745
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -16.226
tors. eta vs tors. theta energy: -19.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -295.032213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.032213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.032213 (E_RNA)
where:
Base-Base interactions energy: -208.074
where: short stacking energy: -80.324
Base-Backbone interact. energy: -0.292
local terms energy: -86.666006
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -279.008680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.008680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.008680 (E_RNA)
where:
Base-Base interactions energy: -180.936
where: short stacking energy: -79.362
Base-Backbone interact. energy: -0.115
local terms energy: -97.957762
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -21.707
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -26.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -265.491470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.491470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.491470 (E_RNA)
where:
Base-Base interactions energy: -171.394
where: short stacking energy: -77.558
Base-Backbone interact. energy: -0.034
local terms energy: -94.062688
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -21.713
flat angles C4'-P-C4' energy: -20.525
flat angles P-C4'-P energy: -14.775
tors. eta vs tors. theta energy: -24.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -263.965726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.965726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.965726 (E_RNA)
where:
Base-Base interactions energy: -183.314
where: short stacking energy: -89.831
Base-Backbone interact. energy: -0.097
local terms energy: -80.554994
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -9.391
tors. eta vs tors. theta energy: -22.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -263.665058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.665058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.665058 (E_RNA)
where:
Base-Base interactions energy: -172.607
where: short stacking energy: -94.290
Base-Backbone interact. energy: 3.034
local terms energy: -94.091491
where:
bonds (distance) C4'-P energy: -16.198
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -22.351
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -25.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -255.445307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.445307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.445307 (E_RNA)
where:
Base-Base interactions energy: -173.215
where: short stacking energy: -77.251
Base-Backbone interact. energy: -0.088
local terms energy: -82.142108
where:
bonds (distance) C4'-P energy: -6.491
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -21.537
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -23.960
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: 9, replica: 3
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -94.120127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.120127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.120127 (E_RNA)
where:
Base-Base interactions energy: -35.808
where: short stacking energy: -32.946
Base-Backbone interact. energy: -0.256
local terms energy: -58.055856
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -109.575478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.575478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.575478 (E_RNA)
where:
Base-Base interactions energy: -43.355
where: short stacking energy: -42.070
Base-Backbone interact. energy: 0.280
local terms energy: -66.500016
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -10.609
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: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -319.310103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.310103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.310103 (E_RNA)
where:
Base-Base interactions energy: -210.018
where: short stacking energy: -89.098
Base-Backbone interact. energy: -0.041
local terms energy: -109.251085
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -23.048
flat angles P-C4'-P energy: -18.273
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: 2, replica: 7
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -299.427642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.427642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.427642 (E_RNA)
where:
Base-Base interactions energy: -206.923
where: short stacking energy: -78.715
Base-Backbone interact. energy: -0.218
local terms energy: -92.286692
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -18.647
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -21.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -300.928213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.928213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.928213 (E_RNA)
where:
Base-Base interactions energy: -206.082
where: short stacking energy: -87.009
Base-Backbone interact. energy: -1.296
local terms energy: -93.550484
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -11.185
tors. eta vs tors. theta energy: -21.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -274.110651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.110651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.110651 (E_RNA)
where:
Base-Base interactions energy: -189.913
where: short stacking energy: -88.241
Base-Backbone interact. energy: -0.023
local terms energy: -84.174329
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -6.799
tors. eta vs tors. theta energy: -26.597
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: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -269.737873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.737873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.737873 (E_RNA)
where:
Base-Base interactions energy: -185.234
where: short stacking energy: -77.989
Base-Backbone interact. energy: -0.260
local terms energy: -84.243188
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -17.134
flat angles C4'-P-C4' energy: -21.356
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -22.642
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: 8
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -254.584290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.584290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.584290 (E_RNA)
where:
Base-Base interactions energy: -165.590
where: short stacking energy: -80.249
Base-Backbone interact. energy: -0.381
local terms energy: -88.612906
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -18.791
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -21.685
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: 7, replica: 5
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -256.468506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.468506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.468506 (E_RNA)
where:
Base-Base interactions energy: -171.747
where: short stacking energy: -81.489
Base-Backbone interact. energy: -0.026
local terms energy: -84.696034
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -19.920
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -23.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -243.284782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.284782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.284782 (E_RNA)
where:
Base-Base interactions energy: -162.068
where: short stacking energy: -83.812
Base-Backbone interact. energy: -0.127
local terms energy: -81.089099
where:
bonds (distance) C4'-P energy: -8.080
bonds (distance) P-C4' energy: -16.130
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -21.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -96.354241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.354241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.354241 (E_RNA)
where:
Base-Base interactions energy: -31.254
where: short stacking energy: -31.254
Base-Backbone interact. energy: -0.061
local terms energy: -65.038894
where:
bonds (distance) C4'-P energy: -10.812
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -21.322
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -5.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -96.890278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.890278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.890278 (E_RNA)
where:
Base-Base interactions energy: -35.846
where: short stacking energy: -31.022
Base-Backbone interact. energy: -0.092
local terms energy: -60.951888
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -19.316
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -3.888
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: 452
Temperature: 0.900000
Total energy: -303.815766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.815766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.815766 (E_RNA)
where:
Base-Base interactions energy: -204.801
where: short stacking energy: -83.698
Base-Backbone interact. energy: -0.053
local terms energy: -98.961350
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -21.591
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -23.013
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: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -308.229504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.229504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.229504 (E_RNA)
where:
Base-Base interactions energy: -214.728
where: short stacking energy: -90.289
Base-Backbone interact. energy: -0.915
local terms energy: -92.586736
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -20.217
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -26.948
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: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -303.104275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.104275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.104275 (E_RNA)
where:
Base-Base interactions energy: -215.260
where: short stacking energy: -82.080
Base-Backbone interact. energy: -0.392
local terms energy: -87.451703
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -21.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -274.897519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.897519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.897519 (E_RNA)
where:
Base-Base interactions energy: -186.255
where: short stacking energy: -95.864
Base-Backbone interact. energy: -0.027
local terms energy: -88.616166
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -19.275
flat angles P-C4'-P energy: -10.485
tors. eta vs tors. theta energy: -25.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -260.961642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.961642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.961642 (E_RNA)
where:
Base-Base interactions energy: -175.250
where: short stacking energy: -88.707
Base-Backbone interact. energy: -0.635
local terms energy: -85.076680
where:
bonds (distance) C4'-P energy: -19.795
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -20.804
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -21.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -259.726431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.726431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.726431 (E_RNA)
where:
Base-Base interactions energy: -175.557
where: short stacking energy: -80.092
Base-Backbone interact. energy: -0.935
local terms energy: -83.234603
where:
bonds (distance) C4'-P energy: -17.477
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -8.522
tors. eta vs tors. theta energy: -24.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -259.320903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.320903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.320903 (E_RNA)
where:
Base-Base interactions energy: -176.421
where: short stacking energy: -79.656
Base-Backbone interact. energy: -0.862
local terms energy: -82.037487
where:
bonds (distance) C4'-P energy: -16.476
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -16.862
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -20.896
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: 5
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -269.567731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.567731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.567731 (E_RNA)
where:
Base-Base interactions energy: -183.465
where: short stacking energy: -83.483
Base-Backbone interact. energy: -0.535
local terms energy: -85.567312
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -22.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -102.864048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.864048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.864048 (E_RNA)
where:
Base-Base interactions energy: -48.811
where: short stacking energy: -24.011
Base-Backbone interact. energy: 0.283
local terms energy: -54.335485
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: 7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -90.754208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.754208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.754208 (E_RNA)
where:
Base-Base interactions energy: -27.831
where: short stacking energy: -27.831
Base-Backbone interact. energy: -0.020
local terms energy: -62.903258
where:
bonds (distance) C4'-P energy: -15.102
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -6.631
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: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -305.300415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.300415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.300415 (E_RNA)
where:
Base-Base interactions energy: -213.631
where: short stacking energy: -83.247
Base-Backbone interact. energy: -0.366
local terms energy: -91.303429
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -14.577
tors. eta vs tors. theta energy: -17.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -307.417933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.417933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.417933 (E_RNA)
where:
Base-Base interactions energy: -219.355
where: short stacking energy: -89.191
Base-Backbone interact. energy: -0.278
local terms energy: -87.785435
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -22.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -304.609317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.609317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.609317 (E_RNA)
where:
Base-Base interactions energy: -208.410
where: short stacking energy: -88.913
Base-Backbone interact. energy: -0.007
local terms energy: -96.192620
where:
bonds (distance) C4'-P energy: -19.233
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -22.514
flat angles P-C4'-P energy: -14.304
tors. eta vs tors. theta energy: -22.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -282.293919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.293919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.293919 (E_RNA)
where:
Base-Base interactions energy: -187.800
where: short stacking energy: -90.735
Base-Backbone interact. energy: -0.858
local terms energy: -93.636041
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -19.541
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -16.466
tors. eta vs tors. theta energy: -25.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -263.129568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.129568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.129568 (E_RNA)
where:
Base-Base interactions energy: -166.125
where: short stacking energy: -80.942
Base-Backbone interact. energy: -0.688
local terms energy: -96.315844
where:
bonds (distance) C4'-P energy: -16.197
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -14.780
tors. eta vs tors. theta energy: -23.239
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: 4
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -253.186533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.186533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.186533 (E_RNA)
where:
Base-Base interactions energy: -164.888
where: short stacking energy: -77.325
Base-Backbone interact. energy: -0.341
local terms energy: -87.957211
where:
bonds (distance) C4'-P energy: -20.147
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -11.466
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: 453
Temperature: 1.200000
Total energy: -254.238220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.238220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.238220 (E_RNA)
where:
Base-Base interactions energy: -165.043
where: short stacking energy: -71.980
Base-Backbone interact. energy: -0.017
local terms energy: -89.177743
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -24.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -237.956531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.956531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.956531 (E_RNA)
where:
Base-Base interactions energy: -157.915
where: short stacking energy: -69.330
Base-Backbone interact. energy: -0.125
local terms energy: -79.916663
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -19.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -95.878685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.878685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.878685 (E_RNA)
where:
Base-Base interactions energy: -37.829
where: short stacking energy: -32.568
Base-Backbone interact. energy: -1.025
local terms energy: -57.024787
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: 1.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -100.668648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.668648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.668648 (E_RNA)
where:
Base-Base interactions energy: -38.744
where: short stacking energy: -38.744
Base-Backbone interact. energy: -0.233
local terms energy: -61.691195
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.312
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -7.548
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: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -303.518986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.518986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.518986 (E_RNA)
where:
Base-Base interactions energy: -207.131
where: short stacking energy: -87.459
Base-Backbone interact. energy: -0.475
local terms energy: -95.913039
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -15.649
tors. eta vs tors. theta energy: -23.302
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: 2, replica: 9
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -304.166767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.166767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.166767 (E_RNA)
where:
Base-Base interactions energy: -213.121
where: short stacking energy: -78.338
Base-Backbone interact. energy: -0.254
local terms energy: -90.791837
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -19.661
flat angles P-C4'-P energy: -12.756
tors. eta vs tors. theta energy: -22.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -285.449925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.449925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.449925 (E_RNA)
where:
Base-Base interactions energy: -191.882
where: short stacking energy: -95.891
Base-Backbone interact. energy: -0.006
local terms energy: -93.562659
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -26.523
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: 2
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -298.887384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.887384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.887384 (E_RNA)
where:
Base-Base interactions energy: -201.978
where: short stacking energy: -82.906
Base-Backbone interact. energy: -0.142
local terms energy: -96.766639
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -23.442
flat angles P-C4'-P energy: -15.944
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: 5, replica: 6
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -270.271676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.271676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.271676 (E_RNA)
where:
Base-Base interactions energy: -180.094
where: short stacking energy: -86.873
Base-Backbone interact. energy: 0.049
local terms energy: -90.226743
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -16.445
flat angles P-C4'-P energy: -11.562
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: 4
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -255.341296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.341296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.341296 (E_RNA)
where:
Base-Base interactions energy: -178.893
where: short stacking energy: -67.604
Base-Backbone interact. energy: -0.230
local terms energy: -76.218591
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -10.912
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: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -260.259197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.259197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.259197 (E_RNA)
where:
Base-Base interactions energy: -170.095
where: short stacking energy: -81.951
Base-Backbone interact. energy: -1.187
local terms energy: -88.976484
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -15.379
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: -25.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -250.646528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.646528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.646528 (E_RNA)
where:
Base-Base interactions energy: -161.558
where: short stacking energy: -77.476
Base-Backbone interact. energy: -0.115
local terms energy: -88.974158
where:
bonds (distance) C4'-P energy: -19.165
bonds (distance) P-C4' energy: -19.834
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -10.840
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: 9, replica: 1
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -93.085174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.085174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.085174 (E_RNA)
where:
Base-Base interactions energy: -33.211
where: short stacking energy: -25.925
Base-Backbone interact. energy: 1.879
local terms energy: -61.752358
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -78.498435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.498435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.498435 (E_RNA)
where:
Base-Base interactions energy: -25.531
where: short stacking energy: -25.531
Base-Backbone interact. energy: 0.588
local terms energy: -53.555694
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: 4.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -307.541020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.541020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.541020 (E_RNA)
where:
Base-Base interactions energy: -211.557
where: short stacking energy: -81.838
Base-Backbone interact. energy: -0.240
local terms energy: -95.744120
where:
bonds (distance) C4'-P energy: -21.779
bonds (distance) P-C4' energy: -21.170
flat angles C4'-P-C4' energy: -20.773
flat angles P-C4'-P energy: -11.651
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: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -278.661105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.661105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.661105 (E_RNA)
where:
Base-Base interactions energy: -178.087
where: short stacking energy: -86.577
Base-Backbone interact. energy: -0.802
local terms energy: -99.772379
where:
bonds (distance) C4'-P energy: -20.547
bonds (distance) P-C4' energy: -21.149
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -23.672
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: 3, replica: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -307.019225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.019225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.019225 (E_RNA)
where:
Base-Base interactions energy: -209.148
where: short stacking energy: -85.386
Base-Backbone interact. energy: -1.296
local terms energy: -96.574972
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -20.883
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -23.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -272.290225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.290225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.290225 (E_RNA)
where:
Base-Base interactions energy: -184.714
where: short stacking energy: -96.961
Base-Backbone interact. energy: -0.002
local terms energy: -87.574520
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -14.169
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: 5, replica: 2
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -281.664425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.664425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.664425 (E_RNA)
where:
Base-Base interactions energy: -195.050
where: short stacking energy: -84.133
Base-Backbone interact. energy: -0.711
local terms energy: -85.903855
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -12.937
tors. eta vs tors. theta energy: -23.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -252.922717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.922717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.922717 (E_RNA)
where:
Base-Base interactions energy: -166.266
where: short stacking energy: -80.151
Base-Backbone interact. energy: 0.246
local terms energy: -86.903243
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -255.469212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.469212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.469212 (E_RNA)
where:
Base-Base interactions energy: -176.975
where: short stacking energy: -76.816
Base-Backbone interact. energy: -0.127
local terms energy: -78.367390
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -5.100
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -254.368288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.368288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.368288 (E_RNA)
where:
Base-Base interactions energy: -165.687
where: short stacking energy: -76.966
Base-Backbone interact. energy: -0.058
local terms energy: -88.623006
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -11.159
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: 9, replica: 1
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -93.226045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.226045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.226045 (E_RNA)
where:
Base-Base interactions energy: -37.861
where: short stacking energy: -37.048
Base-Backbone interact. energy: -0.334
local terms energy: -55.030738
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -5.737
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -124.214746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.214746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.214746 (E_RNA)
where:
Base-Base interactions energy: -71.891
where: short stacking energy: -47.581
Base-Backbone interact. energy: 2.085
local terms energy: -54.408504
where:
bonds (distance) C4'-P energy: -18.367
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -10.280
flat angles P-C4'-P energy: -1.151
tors. eta vs tors. theta energy: -8.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -312.043733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.043733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.043733 (E_RNA)
where:
Base-Base interactions energy: -215.453
where: short stacking energy: -86.878
Base-Backbone interact. energy: -3.110
local terms energy: -93.481367
where:
bonds (distance) C4'-P energy: -18.383
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -14.291
tors. eta vs tors. theta energy: -22.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -283.099139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.099139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.099139 (E_RNA)
where:
Base-Base interactions energy: -178.594
where: short stacking energy: -87.285
Base-Backbone interact. energy: -0.414
local terms energy: -104.090665
where:
bonds (distance) C4'-P energy: -22.019
bonds (distance) P-C4' energy: -21.822
flat angles C4'-P-C4' energy: -21.601
flat angles P-C4'-P energy: -15.231
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: 3, replica: 6
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -281.019358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.019358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.019358 (E_RNA)
where:
Base-Base interactions energy: -187.300
where: short stacking energy: -85.449
Base-Backbone interact. energy: -0.017
local terms energy: -93.701754
where:
bonds (distance) C4'-P energy: -19.738
bonds (distance) P-C4' energy: -19.346
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -12.554
tors. eta vs tors. theta energy: -22.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -290.638447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.638447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.638447 (E_RNA)
where:
Base-Base interactions energy: -208.502
where: short stacking energy: -84.430
Base-Backbone interact. energy: -0.813
local terms energy: -81.322943
where:
bonds (distance) C4'-P energy: -18.189
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -17.503
flat angles P-C4'-P energy: -6.372
tors. eta vs tors. theta energy: -21.687
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: 4
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -255.483652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.483652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.483652 (E_RNA)
where:
Base-Base interactions energy: -167.383
where: short stacking energy: -69.711
Base-Backbone interact. energy: 1.044
local terms energy: -89.144720
where:
bonds (distance) C4'-P energy: -17.539
bonds (distance) P-C4' energy: -22.257
flat angles C4'-P-C4' energy: -19.099
flat angles P-C4'-P energy: -11.993
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -276.790526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.790526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.790526 (E_RNA)
where:
Base-Base interactions energy: -192.179
where: short stacking energy: -81.253
Base-Backbone interact. energy: -0.390
local terms energy: -84.221718
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -14.478
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -12.465
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: 7, replica: 5
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -253.160802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.160802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.160802 (E_RNA)
where:
Base-Base interactions energy: -165.124
where: short stacking energy: -74.829
Base-Backbone interact. energy: -0.266
local terms energy: -87.770942
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -25.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -260.308425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.308425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.308425 (E_RNA)
where:
Base-Base interactions energy: -188.091
where: short stacking energy: -78.099
Base-Backbone interact. energy: -0.025
local terms energy: -72.192275
where:
bonds (distance) C4'-P energy: -7.383
bonds (distance) P-C4' energy: -19.247
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -7.829
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -113.339541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.339541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.339541 (E_RNA)
where:
Base-Base interactions energy: -46.692
where: short stacking energy: -33.433
Base-Backbone interact. energy: -0.290
local terms energy: -66.357528
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -18.550
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -10.834
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: 10, replica: 1
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -101.073461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.073461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.073461 (E_RNA)
where:
Base-Base interactions energy: -38.896
where: short stacking energy: -35.212
Base-Backbone interact. energy: -0.295
local terms energy: -61.882455
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -19.259
flat angles P-C4'-P energy: -6.282
tors. eta vs tors. theta energy: -3.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -309.835395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.835395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.835395 (E_RNA)
where:
Base-Base interactions energy: -215.281
where: short stacking energy: -87.303
Base-Backbone interact. energy: -0.129
local terms energy: -94.425743
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -21.565
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: -19.849
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: 2, replica: 6
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -293.113206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.113206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.113206 (E_RNA)
where:
Base-Base interactions energy: -198.309
where: short stacking energy: -83.399
Base-Backbone interact. energy: -0.853
local terms energy: -93.951310
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -20.616
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -22.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -285.261583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.261583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.261583 (E_RNA)
where:
Base-Base interactions energy: -187.552
where: short stacking energy: -82.824
Base-Backbone interact. energy: -0.243
local terms energy: -97.466567
where:
bonds (distance) C4'-P energy: -18.926
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -14.883
tors. eta vs tors. theta energy: -23.430
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: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -271.399958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.399958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.399958 (E_RNA)
where:
Base-Base interactions energy: -179.101
where: short stacking energy: -80.698
Base-Backbone interact. energy: -0.016
local terms energy: -92.282809
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -23.994
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: 457
Temperature: 1.100000
Total energy: -291.788893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.788893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.788893 (E_RNA)
where:
Base-Base interactions energy: -202.936
where: short stacking energy: -82.978
Base-Backbone interact. energy: -0.134
local terms energy: -88.719337
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -23.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -267.337824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.337824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.337824 (E_RNA)
where:
Base-Base interactions energy: -176.032
where: short stacking energy: -77.561
Base-Backbone interact. energy: -0.317
local terms energy: -90.988355
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -24.624
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: 5
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -268.555774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.555774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.555774 (E_RNA)
where:
Base-Base interactions energy: -178.512
where: short stacking energy: -81.323
Base-Backbone interact. energy: -0.216
local terms energy: -89.828040
where:
bonds (distance) C4'-P energy: -11.807
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -27.873
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: 8
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -274.873830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.873830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.873830 (E_RNA)
where:
Base-Base interactions energy: -191.645
where: short stacking energy: -88.281
Base-Backbone interact. energy: -0.281
local terms energy: -82.948285
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -23.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -97.616619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.616619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.616619 (E_RNA)
where:
Base-Base interactions energy: -40.301
where: short stacking energy: -33.291
Base-Backbone interact. energy: -0.226
local terms energy: -57.090211
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -1.854
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -84.734112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.734112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.734112 (E_RNA)
where:
Base-Base interactions energy: -26.954
where: short stacking energy: -22.069
Base-Backbone interact. energy: -0.335
local terms energy: -57.445341
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -8.558
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -308.476846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.476846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.476846 (E_RNA)
where:
Base-Base interactions energy: -213.284
where: short stacking energy: -81.624
Base-Backbone interact. energy: -0.143
local terms energy: -95.049417
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -20.933
flat angles C4'-P-C4' energy: -20.346
flat angles P-C4'-P energy: -15.678
tors. eta vs tors. theta energy: -21.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -305.741778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.741778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.741778 (E_RNA)
where:
Base-Base interactions energy: -205.933
where: short stacking energy: -84.893
Base-Backbone interact. energy: -0.020
local terms energy: -99.788555
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -24.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -289.805419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.805419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.805419 (E_RNA)
where:
Base-Base interactions energy: -189.887
where: short stacking energy: -83.943
Base-Backbone interact. energy: -0.242
local terms energy: -99.676700
where:
bonds (distance) C4'-P energy: -20.242
bonds (distance) P-C4' energy: -18.754
flat angles C4'-P-C4' energy: -21.865
flat angles P-C4'-P energy: -13.103
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: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -277.860039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.860039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.860039 (E_RNA)
where:
Base-Base interactions energy: -182.292
where: short stacking energy: -83.979
Base-Backbone interact. energy: -0.164
local terms energy: -95.404016
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -17.830
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: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -281.527597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.527597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.527597 (E_RNA)
where:
Base-Base interactions energy: -199.211
where: short stacking energy: -82.283
Base-Backbone interact. energy: 0.083
local terms energy: -82.399257
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -8.121
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -282.019877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.019877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.019877 (E_RNA)
where:
Base-Base interactions energy: -187.951
where: short stacking energy: -81.444
Base-Backbone interact. energy: -0.060
local terms energy: -94.008896
where:
bonds (distance) C4'-P energy: -17.865
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -22.746
flat angles P-C4'-P energy: -11.403
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: 7, replica: 8
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -269.882889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.882889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.882889 (E_RNA)
where:
Base-Base interactions energy: -180.824
where: short stacking energy: -82.602
Base-Backbone interact. energy: -0.939
local terms energy: -88.119638
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -239.807429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.807429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.807429 (E_RNA)
where:
Base-Base interactions energy: -157.182
where: short stacking energy: -77.974
Base-Backbone interact. energy: -0.060
local terms energy: -82.565373
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -3.912
tors. eta vs tors. theta energy: -24.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -95.631184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.631184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.631184 (E_RNA)
where:
Base-Base interactions energy: -33.810
where: short stacking energy: -33.810
Base-Backbone interact. energy: -0.067
local terms energy: -61.754401
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -12.988
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -2.576
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: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -98.173736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.173736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.173736 (E_RNA)
where:
Base-Base interactions energy: -43.647
where: short stacking energy: -25.870
Base-Backbone interact. energy: 0.215
local terms energy: -54.742243
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -17.732
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: 1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -306.816647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.816647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.816647 (E_RNA)
where:
Base-Base interactions energy: -220.247
where: short stacking energy: -88.458
Base-Backbone interact. energy: -0.290
local terms energy: -86.278958
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -18.782
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -14.095
tors. eta vs tors. theta energy: -20.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -284.265292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.265292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.265292 (E_RNA)
where:
Base-Base interactions energy: -188.124
where: short stacking energy: -83.554
Base-Backbone interact. energy: -0.077
local terms energy: -96.065027
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -20.836
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -24.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -284.416687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.416687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.416687 (E_RNA)
where:
Base-Base interactions energy: -191.288
where: short stacking energy: -85.318
Base-Backbone interact. energy: -0.002
local terms energy: -93.126752
where:
bonds (distance) C4'-P energy: -20.942
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -14.379
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: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -295.231033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.231033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.231033 (E_RNA)
where:
Base-Base interactions energy: -208.838
where: short stacking energy: -74.626
Base-Backbone interact. energy: -0.342
local terms energy: -86.050737
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -10.794
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: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -277.303666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.303666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.303666 (E_RNA)
where:
Base-Base interactions energy: -181.094
where: short stacking energy: -88.837
Base-Backbone interact. energy: -0.909
local terms energy: -95.300190
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -21.520
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -25.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -274.307124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.307124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.307124 (E_RNA)
where:
Base-Base interactions energy: -185.422
where: short stacking energy: -77.138
Base-Backbone interact. energy: -0.263
local terms energy: -88.622040
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -22.427
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -22.087
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: 8
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -266.618511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.618511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.618511 (E_RNA)
where:
Base-Base interactions energy: -188.426
where: short stacking energy: -70.178
Base-Backbone interact. energy: -0.363
local terms energy: -77.829707
where:
bonds (distance) C4'-P energy: -10.440
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -19.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -238.563251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.563251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.563251 (E_RNA)
where:
Base-Base interactions energy: -157.967
where: short stacking energy: -67.065
Base-Backbone interact. energy: 0.104
local terms energy: -80.699928
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -17.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -98.431373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.431373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.431373 (E_RNA)
where:
Base-Base interactions energy: -29.501
where: short stacking energy: -28.461
Base-Backbone interact. energy: 0.352
local terms energy: -69.282745
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -91.961154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.961154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.961154 (E_RNA)
where:
Base-Base interactions energy: -22.078
where: short stacking energy: -22.078
Base-Backbone interact. energy: -0.196
local terms energy: -69.686983
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -21.247
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -8.849
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: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -300.526203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.526203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.526203 (E_RNA)
where:
Base-Base interactions energy: -199.212
where: short stacking energy: -92.317
Base-Backbone interact. energy: -2.499
local terms energy: -98.815392
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -22.456
flat angles C4'-P-C4' energy: -22.374
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -25.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -308.211062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.211062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.211062 (E_RNA)
where:
Base-Base interactions energy: -220.246
where: short stacking energy: -86.396
Base-Backbone interact. energy: -0.197
local terms energy: -87.768183
where:
bonds (distance) C4'-P energy: -19.966
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -18.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -302.407523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.407523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.407523 (E_RNA)
where:
Base-Base interactions energy: -213.552
where: short stacking energy: -87.169
Base-Backbone interact. energy: -0.878
local terms energy: -87.977588
where:
bonds (distance) C4'-P energy: -18.256
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -276.871072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.871072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.871072 (E_RNA)
where:
Base-Base interactions energy: -176.410
where: short stacking energy: -89.827
Base-Backbone interact. energy: -0.445
local terms energy: -100.015769
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -21.834
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: -25.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -284.515560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.515560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.515560 (E_RNA)
where:
Base-Base interactions energy: -192.840
where: short stacking energy: -83.628
Base-Backbone interact. energy: -0.505
local terms energy: -91.170463
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -23.910
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: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -272.780028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.780028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.780028 (E_RNA)
where:
Base-Base interactions energy: -178.661
where: short stacking energy: -84.907
Base-Backbone interact. energy: -0.019
local terms energy: -94.099995
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -15.683
tors. eta vs tors. theta energy: -26.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -252.221045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.221045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.221045 (E_RNA)
where:
Base-Base interactions energy: -164.654
where: short stacking energy: -77.071
Base-Backbone interact. energy: -1.482
local terms energy: -86.085336
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -20.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -243.076353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.076353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.076353 (E_RNA)
where:
Base-Base interactions energy: -162.050
where: short stacking energy: -77.996
Base-Backbone interact. energy: -1.180
local terms energy: -79.845744
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -7.815
flat angles C4'-P-C4' energy: -21.606
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -23.091
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: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -113.541292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.541292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.541292 (E_RNA)
where:
Base-Base interactions energy: -60.426
where: short stacking energy: -43.063
Base-Backbone interact. energy: -0.580
local terms energy: -52.534356
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: 1.413
tors. eta vs tors. theta energy: -11.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -103.561014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.561014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.561014 (E_RNA)
where:
Base-Base interactions energy: -39.651
where: short stacking energy: -34.222
Base-Backbone interact. energy: -0.093
local terms energy: -63.816822
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -12.772
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -301.140028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.140028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.140028 (E_RNA)
where:
Base-Base interactions energy: -199.991
where: short stacking energy: -95.924
Base-Backbone interact. energy: -0.616
local terms energy: -100.532519
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -28.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -302.334530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.334530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.334530 (E_RNA)
where:
Base-Base interactions energy: -211.660
where: short stacking energy: -91.957
Base-Backbone interact. energy: 0.506
local terms energy: -91.181343
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -19.189
flat angles P-C4'-P energy: -16.703
tors. eta vs tors. theta energy: -21.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -296.749517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.749517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.749517 (E_RNA)
where:
Base-Base interactions energy: -214.908
where: short stacking energy: -89.437
Base-Backbone interact. energy: -0.221
local terms energy: -81.620155
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -18.955
flat angles C4'-P-C4' energy: -20.838
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -296.385455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.385455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.385455 (E_RNA)
where:
Base-Base interactions energy: -200.143
where: short stacking energy: -88.489
Base-Backbone interact. energy: -0.078
local terms energy: -96.164146
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -21.155
flat angles P-C4'-P energy: -16.099
tors. eta vs tors. theta energy: -23.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -269.665206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.665206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.665206 (E_RNA)
where:
Base-Base interactions energy: -178.873
where: short stacking energy: -78.720
Base-Backbone interact. energy: -0.428
local terms energy: -90.364656
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -19.549
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -17.150
tors. eta vs tors. theta energy: -20.743
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: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -273.062922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.062922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.062922 (E_RNA)
where:
Base-Base interactions energy: -180.225
where: short stacking energy: -84.004
Base-Backbone interact. energy: -0.489
local terms energy: -92.348384
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -15.756
flat angles C4'-P-C4' energy: -21.277
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -25.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -254.436148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.436148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.436148 (E_RNA)
where:
Base-Base interactions energy: -177.283
where: short stacking energy: -80.815
Base-Backbone interact. energy: -0.501
local terms energy: -76.651514
where:
bonds (distance) C4'-P energy: -20.693
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -18.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -254.735435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.735435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.735435 (E_RNA)
where:
Base-Base interactions energy: -175.928
where: short stacking energy: -83.057
Base-Backbone interact. energy: -0.010
local terms energy: -78.797203
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -9.170
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -13.644
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: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -102.820192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.820192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.820192 (E_RNA)
where:
Base-Base interactions energy: -40.337
where: short stacking energy: -30.053
Base-Backbone interact. energy: -0.428
local terms energy: -62.055045
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -3.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -95.245720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.245720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.245720 (E_RNA)
where:
Base-Base interactions energy: -29.720
where: short stacking energy: -21.811
Base-Backbone interact. energy: -0.291
local terms energy: -65.234373
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: 0.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -309.903037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.903037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.903037 (E_RNA)
where:
Base-Base interactions energy: -220.428
where: short stacking energy: -85.949
Base-Backbone interact. energy: 1.110
local terms energy: -90.584510
where:
bonds (distance) C4'-P energy: -19.432
bonds (distance) P-C4' energy: -22.346
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -16.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -294.704474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.704474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.704474 (E_RNA)
where:
Base-Base interactions energy: -208.189
where: short stacking energy: -84.514
Base-Backbone interact. energy: -0.134
local terms energy: -86.381307
where:
bonds (distance) C4'-P energy: -13.317
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -21.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -297.325066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.325066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.325066 (E_RNA)
where:
Base-Base interactions energy: -202.406
where: short stacking energy: -87.476
Base-Backbone interact. energy: -0.950
local terms energy: -93.968353
where:
bonds (distance) C4'-P energy: -16.423
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -22.631
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -22.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -293.176917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.176917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.176917 (E_RNA)
where:
Base-Base interactions energy: -205.184
where: short stacking energy: -85.928
Base-Backbone interact. energy: -0.227
local terms energy: -87.766269
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -11.506
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: 5, replica: 4
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -275.793324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.793324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.793324 (E_RNA)
where:
Base-Base interactions energy: -185.187
where: short stacking energy: -95.351
Base-Backbone interact. energy: -0.244
local terms energy: -90.362388
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -21.693
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -27.110
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: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -263.593582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.593582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.593582 (E_RNA)
where:
Base-Base interactions energy: -169.408
where: short stacking energy: -84.716
Base-Backbone interact. energy: 0.499
local terms energy: -94.685063
where:
bonds (distance) C4'-P energy: -17.386
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -20.796
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -25.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -256.895417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.895417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.895417 (E_RNA)
where:
Base-Base interactions energy: -163.916
where: short stacking energy: -73.199
Base-Backbone interact. energy: -0.002
local terms energy: -92.977133
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -19.304
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -25.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -239.968198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.968198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.968198 (E_RNA)
where:
Base-Base interactions energy: -165.234
where: short stacking energy: -65.610
Base-Backbone interact. energy: -0.110
local terms energy: -74.624281
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -16.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -95.606659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.606659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.606659 (E_RNA)
where:
Base-Base interactions energy: -42.196
where: short stacking energy: -28.079
Base-Backbone interact. energy: -0.269
local terms energy: -53.141901
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -4.681
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -106.572971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.572971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.572971 (E_RNA)
where:
Base-Base interactions energy: -54.501
where: short stacking energy: -31.119
Base-Backbone interact. energy: -0.536
local terms energy: -51.535393
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: 2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -309.428004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.428004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.428004 (E_RNA)
where:
Base-Base interactions energy: -211.891
where: short stacking energy: -88.454
Base-Backbone interact. energy: -1.892
local terms energy: -95.645677
where:
bonds (distance) C4'-P energy: -18.049
bonds (distance) P-C4' energy: -19.111
flat angles C4'-P-C4' energy: -21.595
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -23.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -309.689770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.689770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.689770 (E_RNA)
where:
Base-Base interactions energy: -211.396
where: short stacking energy: -91.795
Base-Backbone interact. energy: -0.015
local terms energy: -98.278209
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -21.337
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -26.181
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: 6
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -292.122145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.122145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.122145 (E_RNA)
where:
Base-Base interactions energy: -202.961
where: short stacking energy: -86.171
Base-Backbone interact. energy: -0.164
local terms energy: -88.997808
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -14.019
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -286.069398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.069398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.069398 (E_RNA)
where:
Base-Base interactions energy: -193.310
where: short stacking energy: -91.148
Base-Backbone interact. energy: -0.003
local terms energy: -92.755904
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -25.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -291.234247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.234247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.234247 (E_RNA)
where:
Base-Base interactions energy: -205.375
where: short stacking energy: -77.948
Base-Backbone interact. energy: -0.604
local terms energy: -85.255463
where:
bonds (distance) C4'-P energy: -21.460
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -258.335051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.335051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.335051 (E_RNA)
where:
Base-Base interactions energy: -171.057
where: short stacking energy: -69.803
Base-Backbone interact. energy: -0.106
local terms energy: -87.172096
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -19.071
flat angles P-C4'-P energy: -13.128
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: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -246.036070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.036070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.036070 (E_RNA)
where:
Base-Base interactions energy: -170.960
where: short stacking energy: -76.494
Base-Backbone interact. energy: -0.272
local terms energy: -74.804587
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -10.306
tors. eta vs tors. theta energy: -20.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -245.557391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.557391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.557391 (E_RNA)
where:
Base-Base interactions energy: -157.477
where: short stacking energy: -77.168
Base-Backbone interact. energy: -0.455
local terms energy: -87.625089
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -18.368
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -18.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -116.581834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.581834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.581834 (E_RNA)
where:
Base-Base interactions energy: -53.294
where: short stacking energy: -40.624
Base-Backbone interact. energy: -0.179
local terms energy: -63.108365
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -20.340
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: -4.514
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: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -98.723534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.723534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.723534 (E_RNA)
where:
Base-Base interactions energy: -35.659
where: short stacking energy: -35.659
Base-Backbone interact. energy: -0.303
local terms energy: -62.761182
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -3.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -305.536255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.536255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.536255 (E_RNA)
where:
Base-Base interactions energy: -215.542
where: short stacking energy: -93.416
Base-Backbone interact. energy: -0.004
local terms energy: -89.990768
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -22.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -301.794373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.794373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.794373 (E_RNA)
where:
Base-Base interactions energy: -209.353
where: short stacking energy: -86.080
Base-Backbone interact. energy: -0.151
local terms energy: -92.290861
where:
bonds (distance) C4'-P energy: -18.499
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -14.437
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -277.057815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.057815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.057815 (E_RNA)
where:
Base-Base interactions energy: -185.910
where: short stacking energy: -86.027
Base-Backbone interact. energy: -0.975
local terms energy: -90.172824
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -21.012
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -24.184
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: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -293.038427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.038427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.038427 (E_RNA)
where:
Base-Base interactions energy: -198.072
where: short stacking energy: -83.778
Base-Backbone interact. energy: -0.187
local terms energy: -94.779164
where:
bonds (distance) C4'-P energy: -15.855
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -21.280
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -24.519
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: 7
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -281.733689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.733689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.733689 (E_RNA)
where:
Base-Base interactions energy: -195.033
where: short stacking energy: -80.998
Base-Backbone interact. energy: -0.196
local terms energy: -86.504630
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -21.334
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -20.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -256.173135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.173135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.173135 (E_RNA)
where:
Base-Base interactions energy: -166.822
where: short stacking energy: -73.813
Base-Backbone interact. energy: -0.211
local terms energy: -89.139924
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -23.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -266.743570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.743570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.743570 (E_RNA)
where:
Base-Base interactions energy: -177.764
where: short stacking energy: -86.961
Base-Backbone interact. energy: -0.035
local terms energy: -88.944070
where:
bonds (distance) C4'-P energy: -20.826
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -21.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -273.833548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.833548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.833548 (E_RNA)
where:
Base-Base interactions energy: -184.925
where: short stacking energy: -86.724
Base-Backbone interact. energy: -0.233
local terms energy: -88.675963
where:
bonds (distance) C4'-P energy: -19.306
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -22.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -100.697212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.697212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.697212 (E_RNA)
where:
Base-Base interactions energy: -38.724
where: short stacking energy: -34.384
Base-Backbone interact. energy: 1.202
local terms energy: -63.174782
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -1.017
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: 1
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -95.191496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.191496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.191496 (E_RNA)
where:
Base-Base interactions energy: -31.652
where: short stacking energy: -28.148
Base-Backbone interact. energy: -0.198
local terms energy: -63.340854
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -3.314
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: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -302.497553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.497553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.497553 (E_RNA)
where:
Base-Base interactions energy: -201.320
where: short stacking energy: -88.985
Base-Backbone interact. energy: -0.001
local terms energy: -101.176987
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -21.538
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -26.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -294.208368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.208368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.208368 (E_RNA)
where:
Base-Base interactions energy: -200.705
where: short stacking energy: -74.886
Base-Backbone interact. energy: -0.515
local terms energy: -92.987816
where:
bonds (distance) C4'-P energy: -18.922
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -21.771
flat angles P-C4'-P energy: -16.367
tors. eta vs tors. theta energy: -15.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -269.167248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.167248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.167248 (E_RNA)
where:
Base-Base interactions energy: -179.296
where: short stacking energy: -88.759
Base-Backbone interact. energy: -0.524
local terms energy: -89.347616
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -24.208
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: 7
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -277.723757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.723757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.723757 (E_RNA)
where:
Base-Base interactions energy: -202.612
where: short stacking energy: -73.441
Base-Backbone interact. energy: -0.417
local terms energy: -74.695567
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -12.236
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: 6
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -269.868101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.868101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.868101 (E_RNA)
where:
Base-Base interactions energy: -184.244
where: short stacking energy: -92.081
Base-Backbone interact. energy: -0.040
local terms energy: -85.585016
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -14.284
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: 6, replica: 8
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -269.959431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.959431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.959431 (E_RNA)
where:
Base-Base interactions energy: -175.722
where: short stacking energy: -81.760
Base-Backbone interact. energy: -0.096
local terms energy: -94.141267
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -20.794
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -21.972
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: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -259.186552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.186552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.186552 (E_RNA)
where:
Base-Base interactions energy: -177.757
where: short stacking energy: -83.440
Base-Backbone interact. energy: -0.947
local terms energy: -80.482886
where:
bonds (distance) C4'-P energy: -9.059
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -10.796
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: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -264.237063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.237063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.237063 (E_RNA)
where:
Base-Base interactions energy: -172.865
where: short stacking energy: -81.751
Base-Backbone interact. energy: -0.894
local terms energy: -90.478361
where:
bonds (distance) C4'-P energy: -18.561
bonds (distance) P-C4' energy: -19.218
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -13.471
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: 9, replica: 3
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -114.181526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.181526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.181526 (E_RNA)
where:
Base-Base interactions energy: -42.928
where: short stacking energy: -42.928
Base-Backbone interact. energy: -0.220
local terms energy: -71.033356
where:
bonds (distance) C4'-P energy: -19.709
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -19.886
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -11.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -103.666176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.666176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.666176 (E_RNA)
where:
Base-Base interactions energy: -37.875
where: short stacking energy: -37.875
Base-Backbone interact. energy: 0.096
local terms energy: -65.886817
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -4.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -301.833424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.833424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.833424 (E_RNA)
where:
Base-Base interactions energy: -210.250
where: short stacking energy: -79.170
Base-Backbone interact. energy: -0.526
local terms energy: -91.057048
where:
bonds (distance) C4'-P energy: -18.756
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -12.806
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: 2, replica: 9
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -299.145725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.145725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.145725 (E_RNA)
where:
Base-Base interactions energy: -206.753
where: short stacking energy: -81.245
Base-Backbone interact. energy: -0.207
local terms energy: -92.185620
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -21.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -291.606499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.606499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.606499 (E_RNA)
where:
Base-Base interactions energy: -211.109
where: short stacking energy: -78.563
Base-Backbone interact. energy: 0.230
local terms energy: -80.726670
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -15.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -266.415709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.415709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.415709 (E_RNA)
where:
Base-Base interactions energy: -175.781
where: short stacking energy: -83.536
Base-Backbone interact. energy: -0.298
local terms energy: -90.336465
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -23.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -267.430296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.430296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.430296 (E_RNA)
where:
Base-Base interactions energy: -177.571
where: short stacking energy: -88.347
Base-Backbone interact. energy: -0.629
local terms energy: -89.231088
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -11.629
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: 6, replica: 8
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -257.362553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.362553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.362553 (E_RNA)
where:
Base-Base interactions energy: -168.305
where: short stacking energy: -75.139
Base-Backbone interact. energy: -0.743
local terms energy: -88.314451
where:
bonds (distance) C4'-P energy: -12.450
bonds (distance) P-C4' energy: -17.514
flat angles C4'-P-C4' energy: -22.363
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -23.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -260.096420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.096420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.096420 (E_RNA)
where:
Base-Base interactions energy: -177.928
where: short stacking energy: -81.822
Base-Backbone interact. energy: -0.299
local terms energy: -81.869058
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -18.779
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -19.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -236.793789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.793789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.793789 (E_RNA)
where:
Base-Base interactions energy: -158.120
where: short stacking energy: -66.768
Base-Backbone interact. energy: -0.131
local terms energy: -78.542772
where:
bonds (distance) C4'-P energy: -13.470
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -98.285362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.285362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.285362 (E_RNA)
where:
Base-Base interactions energy: -32.955
where: short stacking energy: -32.727
Base-Backbone interact. energy: 0.309
local terms energy: -65.639908
where:
bonds (distance) C4'-P energy: -20.056
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -6.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -97.751110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.751110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.751110 (E_RNA)
where:
Base-Base interactions energy: -37.151
where: short stacking energy: -36.672
Base-Backbone interact. energy: -0.103
local terms energy: -60.497334
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -3.546
tors. eta vs tors. theta energy: -10.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -300.206802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.206802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.206802 (E_RNA)
where:
Base-Base interactions energy: -210.874
where: short stacking energy: -75.568
Base-Backbone interact. energy: -0.412
local terms energy: -88.920945
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -11.357
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: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -295.235273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.235273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.235273 (E_RNA)
where:
Base-Base interactions energy: -207.458
where: short stacking energy: -76.462
Base-Backbone interact. energy: -0.416
local terms energy: -87.361376
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -299.653400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.653400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.653400 (E_RNA)
where:
Base-Base interactions energy: -205.271
where: short stacking energy: -88.006
Base-Backbone interact. energy: -0.029
local terms energy: -94.353644
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -21.132
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -22.386
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: 467
Temperature: 1.050000
Total energy: -283.289517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.289517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.289517 (E_RNA)
where:
Base-Base interactions energy: -188.016
where: short stacking energy: -89.875
Base-Backbone interact. energy: -0.229
local terms energy: -95.044508
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -16.971
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: 4
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -261.902795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.902795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.902795 (E_RNA)
where:
Base-Base interactions energy: -169.914
where: short stacking energy: -79.525
Base-Backbone interact. energy: -0.290
local terms energy: -91.698471
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -24.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -262.924915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.924915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.924915 (E_RNA)
where:
Base-Base interactions energy: -177.755
where: short stacking energy: -84.090
Base-Backbone interact. energy: -0.002
local terms energy: -85.167315
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -24.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -264.223474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.223474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.223474 (E_RNA)
where:
Base-Base interactions energy: -173.072
where: short stacking energy: -75.296
Base-Backbone interact. energy: -1.031
local terms energy: -90.120553
where:
bonds (distance) C4'-P energy: -20.347
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -22.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -228.824702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.824702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.824702 (E_RNA)
where:
Base-Base interactions energy: -161.279
where: short stacking energy: -69.800
Base-Backbone interact. energy: -0.292
local terms energy: -67.253503
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -90.988364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.988364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.988364 (E_RNA)
where:
Base-Base interactions energy: -32.697
where: short stacking energy: -32.697
Base-Backbone interact. energy: -0.407
local terms energy: -57.883717
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: -2.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -90.879096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.879096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.879096 (E_RNA)
where:
Base-Base interactions energy: -38.219
where: short stacking energy: -28.007
Base-Backbone interact. energy: -0.052
local terms energy: -52.608569
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -4.537
tors. eta vs tors. theta energy: -0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -308.067153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.067153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.067153 (E_RNA)
where:
Base-Base interactions energy: -211.046
where: short stacking energy: -90.105
Base-Backbone interact. energy: -0.345
local terms energy: -96.676206
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -15.478
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: 2, replica: 2
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -300.111934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.111934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.111934 (E_RNA)
where:
Base-Base interactions energy: -203.698
where: short stacking energy: -83.662
Base-Backbone interact. energy: -0.268
local terms energy: -96.145608
where:
bonds (distance) C4'-P energy: -20.722
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -20.589
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -21.140
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: 9
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -296.817520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.817520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.817520 (E_RNA)
where:
Base-Base interactions energy: -197.667
where: short stacking energy: -82.189
Base-Backbone interact. energy: -0.046
local terms energy: -99.103852
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -25.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -273.274434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.274434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.274434 (E_RNA)
where:
Base-Base interactions energy: -178.311
where: short stacking energy: -83.643
Base-Backbone interact. energy: -0.145
local terms energy: -94.818814
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -21.093
flat angles P-C4'-P energy: -15.207
tors. eta vs tors. theta energy: -23.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -275.680904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.680904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.680904 (E_RNA)
where:
Base-Base interactions energy: -185.129
where: short stacking energy: -87.057
Base-Backbone interact. energy: -0.062
local terms energy: -90.489824
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -10.528
tors. eta vs tors. theta energy: -24.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -253.116301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.116301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.116301 (E_RNA)
where:
Base-Base interactions energy: -182.219
where: short stacking energy: -84.258
Base-Backbone interact. energy: -1.115
local terms energy: -69.782069
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -24.282
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: 8
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -264.898201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.898201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.898201 (E_RNA)
where:
Base-Base interactions energy: -185.866
where: short stacking energy: -81.532
Base-Backbone interact. energy: -0.181
local terms energy: -78.851668
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -10.465
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -241.521533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.521533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.521533 (E_RNA)
where:
Base-Base interactions energy: -169.378
where: short stacking energy: -65.563
Base-Backbone interact. energy: 0.714
local terms energy: -72.857610
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -14.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -106.135388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.135388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.135388 (E_RNA)
where:
Base-Base interactions energy: -50.739
where: short stacking energy: -30.936
Base-Backbone interact. energy: -0.659
local terms energy: -54.737802
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -11.180
flat angles C4'-P-C4' energy: -17.529
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: 0.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -95.078607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.078607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.078607 (E_RNA)
where:
Base-Base interactions energy: -28.812
where: short stacking energy: -28.659
Base-Backbone interact. energy: 0.836
local terms energy: -67.102529
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -14.628
tors. eta vs tors. theta energy: 0.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -309.762567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.762567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.762567 (E_RNA)
where:
Base-Base interactions energy: -217.095
where: short stacking energy: -83.722
Base-Backbone interact. energy: -0.432
local terms energy: -92.235790
where:
bonds (distance) C4'-P energy: -20.410
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -21.699
flat angles P-C4'-P energy: -13.067
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: 2, replica: 9
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -308.417023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.417023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.417023 (E_RNA)
where:
Base-Base interactions energy: -218.918
where: short stacking energy: -84.817
Base-Backbone interact. energy: -0.140
local terms energy: -89.359315
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -13.762
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: 3, replica: 2
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -297.755744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.755744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.755744 (E_RNA)
where:
Base-Base interactions energy: -217.610
where: short stacking energy: -82.678
Base-Backbone interact. energy: -0.504
local terms energy: -79.641713
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -14.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -283.184712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.184712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.184712 (E_RNA)
where:
Base-Base interactions energy: -185.627
where: short stacking energy: -89.147
Base-Backbone interact. energy: -0.361
local terms energy: -97.197232
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -16.126
tors. eta vs tors. theta energy: -25.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -266.360003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.360003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.360003 (E_RNA)
where:
Base-Base interactions energy: -184.896
where: short stacking energy: -84.712
Base-Backbone interact. energy: -0.002
local terms energy: -81.461776
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -9.478
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: 6, replica: 8
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -259.474132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.474132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.474132 (E_RNA)
where:
Base-Base interactions energy: -170.393
where: short stacking energy: -73.082
Base-Backbone interact. energy: -0.330
local terms energy: -88.750386
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -21.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -249.759717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.759717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.759717 (E_RNA)
where:
Base-Base interactions energy: -179.919
where: short stacking energy: -76.589
Base-Backbone interact. energy: -0.278
local terms energy: -69.562523
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -15.474
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: -15.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -254.092345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.092345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.092345 (E_RNA)
where:
Base-Base interactions energy: -164.397
where: short stacking energy: -68.772
Base-Backbone interact. energy: -0.100
local terms energy: -89.595700
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -22.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -94.956523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.956523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.956523 (E_RNA)
where:
Base-Base interactions energy: -29.146
where: short stacking energy: -29.146
Base-Backbone interact. energy: -0.309
local terms energy: -65.501041
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -2.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -93.133114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.133114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.133114 (E_RNA)
where:
Base-Base interactions energy: -30.080
where: short stacking energy: -28.066
Base-Backbone interact. energy: 1.325
local terms energy: -64.378603
where:
bonds (distance) C4'-P energy: -18.723
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -12.662
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: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -310.633087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.633087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.633087 (E_RNA)
where:
Base-Base interactions energy: -217.253
where: short stacking energy: -85.484
Base-Backbone interact. energy: -0.303
local terms energy: -93.076671
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -23.459
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -303.952246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.952246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.952246 (E_RNA)
where:
Base-Base interactions energy: -210.092
where: short stacking energy: -92.223
Base-Backbone interact. energy: -0.002
local terms energy: -93.858248
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -20.558
flat angles P-C4'-P energy: -10.540
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: 3, replica: 2
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -293.510424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.510424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.510424 (E_RNA)
where:
Base-Base interactions energy: -203.182
where: short stacking energy: -94.768
Base-Backbone interact. energy: -0.270
local terms energy: -90.058462
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -20.509
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -21.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -270.285854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.285854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.285854 (E_RNA)
where:
Base-Base interactions energy: -178.149
where: short stacking energy: -83.509
Base-Backbone interact. energy: -0.464
local terms energy: -91.672390
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -22.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -267.980091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.980091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.980091 (E_RNA)
where:
Base-Base interactions energy: -178.657
where: short stacking energy: -82.527
Base-Backbone interact. energy: -0.009
local terms energy: -89.314601
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -24.644
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: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -270.037123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.037123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.037123 (E_RNA)
where:
Base-Base interactions energy: -187.589
where: short stacking energy: -80.022
Base-Backbone interact. energy: 0.878
local terms energy: -83.325672
where:
bonds (distance) C4'-P energy: -15.324
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -10.647
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: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -254.086511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.086511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.086511 (E_RNA)
where:
Base-Base interactions energy: -158.483
where: short stacking energy: -85.674
Base-Backbone interact. energy: -0.264
local terms energy: -95.339413
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -28.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -183.077167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.077167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.077167 (E_RNA)
where:
Base-Base interactions energy: -113.170
where: short stacking energy: -50.508
Base-Backbone interact. energy: 0.857
local terms energy: -70.764349
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -0.618
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: 1
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -121.732045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.732045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.732045 (E_RNA)
where:
Base-Base interactions energy: -58.235
where: short stacking energy: -29.010
Base-Backbone interact. energy: -0.067
local terms energy: -63.429915
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -98.225738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.225738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.225738 (E_RNA)
where:
Base-Base interactions energy: -34.312
where: short stacking energy: -31.350
Base-Backbone interact. energy: -0.107
local terms energy: -63.806503
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -11.804
flat angles C4'-P-C4' energy: -20.306
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -6.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -307.593320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.593320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.593320 (E_RNA)
where:
Base-Base interactions energy: -212.073
where: short stacking energy: -85.177
Base-Backbone interact. energy: -0.466
local terms energy: -95.054457
where:
bonds (distance) C4'-P energy: -19.973
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -20.163
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -23.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -298.160602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.160602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.160602 (E_RNA)
where:
Base-Base interactions energy: -200.655
where: short stacking energy: -84.695
Base-Backbone interact. energy: -0.015
local terms energy: -97.490658
where:
bonds (distance) C4'-P energy: -18.571
bonds (distance) P-C4' energy: -18.388
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -17.548
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: 3, replica: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -296.898974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.898974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.898974 (E_RNA)
where:
Base-Base interactions energy: -205.377
where: short stacking energy: -68.678
Base-Backbone interact. energy: -0.136
local terms energy: -91.386026
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -22.063
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -16.590
tors. eta vs tors. theta energy: -14.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -273.207110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.207110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.207110 (E_RNA)
where:
Base-Base interactions energy: -182.944
where: short stacking energy: -90.295
Base-Backbone interact. energy: -0.179
local terms energy: -90.084452
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -21.782
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -23.940
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: 5, replica: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -264.642934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.642934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.642934 (E_RNA)
where:
Base-Base interactions energy: -180.531
where: short stacking energy: -71.522
Base-Backbone interact. energy: -0.194
local terms energy: -83.917900
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -12.048
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: 6, replica: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -264.844388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.844388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.844388 (E_RNA)
where:
Base-Base interactions energy: -171.121
where: short stacking energy: -87.106
Base-Backbone interact. energy: -0.047
local terms energy: -93.676351
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -11.728
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: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -249.185086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.185086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.185086 (E_RNA)
where:
Base-Base interactions energy: -156.484
where: short stacking energy: -77.456
Base-Backbone interact. energy: -0.294
local terms energy: -92.407103
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -19.950
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -26.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -224.454306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.454306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.454306 (E_RNA)
where:
Base-Base interactions energy: -151.035
where: short stacking energy: -68.192
Base-Backbone interact. energy: -0.207
local terms energy: -73.212516
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -10.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -98.803661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.803661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.803661 (E_RNA)
where:
Base-Base interactions energy: -43.282
where: short stacking energy: -35.103
Base-Backbone interact. energy: -0.125
local terms energy: -55.396974
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: 2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -98.323322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.323322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.323322 (E_RNA)
where:
Base-Base interactions energy: -40.129
where: short stacking energy: -34.655
Base-Backbone interact. energy: -0.047
local terms energy: -58.147312
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -2.977
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: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -309.551428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.551428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.551428 (E_RNA)
where:
Base-Base interactions energy: -209.519
where: short stacking energy: -89.374
Base-Backbone interact. energy: -1.389
local terms energy: -98.644215
where:
bonds (distance) C4'-P energy: -19.684
bonds (distance) P-C4' energy: -21.405
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -26.766
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: 472
Temperature: 0.950000
Total energy: -306.075537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.075537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.075537 (E_RNA)
where:
Base-Base interactions energy: -206.929
where: short stacking energy: -84.357
Base-Backbone interact. energy: -0.625
local terms energy: -98.521364
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -21.937
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -14.157
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: 2
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -298.862142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.862142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.862142 (E_RNA)
where:
Base-Base interactions energy: -207.858
where: short stacking energy: -83.035
Base-Backbone interact. energy: -1.125
local terms energy: -89.878813
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -22.041
flat angles C4'-P-C4' energy: -18.381
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -20.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -272.429389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.429389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.429389 (E_RNA)
where:
Base-Base interactions energy: -173.613
where: short stacking energy: -78.971
Base-Backbone interact. energy: -0.339
local terms energy: -98.477314
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -21.488
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -15.084
tors. eta vs tors. theta energy: -21.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -260.716613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.716613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.716613 (E_RNA)
where:
Base-Base interactions energy: -179.904
where: short stacking energy: -89.559
Base-Backbone interact. energy: -0.158
local terms energy: -80.653928
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -10.984
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -265.573732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.573732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.573732 (E_RNA)
where:
Base-Base interactions energy: -175.797
where: short stacking energy: -75.504
Base-Backbone interact. energy: -0.543
local terms energy: -89.233972
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -21.450
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -23.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -249.841202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.841202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.841202 (E_RNA)
where:
Base-Base interactions energy: -156.390
where: short stacking energy: -72.433
Base-Backbone interact. energy: -0.155
local terms energy: -93.296169
where:
bonds (distance) C4'-P energy: -18.811
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -21.587
flat angles P-C4'-P energy: -12.992
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: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -249.865772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.865772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.865772 (E_RNA)
where:
Base-Base interactions energy: -165.935
where: short stacking energy: -75.746
Base-Backbone interact. energy: -0.083
local terms energy: -83.847972
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -12.497
tors. eta vs tors. theta energy: -21.448
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: 3
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -98.068910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.068910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.068910 (E_RNA)
where:
Base-Base interactions energy: -27.517
where: short stacking energy: -27.517
Base-Backbone interact. energy: -0.196
local terms energy: -70.356012
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -92.704108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.704108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.704108 (E_RNA)
where:
Base-Base interactions energy: -31.161
where: short stacking energy: -26.772
Base-Backbone interact. energy: -0.250
local terms energy: -61.292803
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -19.909
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -0.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -310.906101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.906101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.906101 (E_RNA)
where:
Base-Base interactions energy: -209.415
where: short stacking energy: -93.079
Base-Backbone interact. energy: -0.002
local terms energy: -101.489631
where:
bonds (distance) C4'-P energy: -19.332
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -14.150
tors. eta vs tors. theta energy: -25.042
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: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -303.071933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.071933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.071933 (E_RNA)
where:
Base-Base interactions energy: -214.386
where: short stacking energy: -89.258
Base-Backbone interact. energy: -0.266
local terms energy: -88.420339
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -20.619
flat angles P-C4'-P energy: -17.245
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: 3, replica: 2
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -284.349588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.349588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.349588 (E_RNA)
where:
Base-Base interactions energy: -195.034
where: short stacking energy: -76.974
Base-Backbone interact. energy: -0.327
local terms energy: -88.988957
where:
bonds (distance) C4'-P energy: -20.978
bonds (distance) P-C4' energy: -19.654
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -20.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -267.626355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.626355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.626355 (E_RNA)
where:
Base-Base interactions energy: -174.348
where: short stacking energy: -78.475
Base-Backbone interact. energy: -0.277
local terms energy: -93.001631
where:
bonds (distance) C4'-P energy: -17.779
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -14.126
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -269.143825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.143825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.143825 (E_RNA)
where:
Base-Base interactions energy: -177.667
where: short stacking energy: -80.439
Base-Backbone interact. energy: -0.015
local terms energy: -91.462165
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -13.441
tors. eta vs tors. theta energy: -23.740
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: 6, replica: 6
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -252.384368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.384368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.384368 (E_RNA)
where:
Base-Base interactions energy: -164.260
where: short stacking energy: -73.212
Base-Backbone interact. energy: -0.257
local terms energy: -87.867158
where:
bonds (distance) C4'-P energy: -19.796
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -18.789
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: 5
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -256.785323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.785323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.785323 (E_RNA)
where:
Base-Base interactions energy: -164.785
where: short stacking energy: -73.281
Base-Backbone interact. energy: -1.649
local terms energy: -90.351482
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -20.090
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: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -240.187745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.187745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.187745 (E_RNA)
where:
Base-Base interactions energy: -165.055
where: short stacking energy: -62.629
Base-Backbone interact. energy: -0.520
local terms energy: -74.612536
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -8.688
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: 9, replica: 3
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -96.067411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.067411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.067411 (E_RNA)
where:
Base-Base interactions energy: -31.862
where: short stacking energy: -31.862
Base-Backbone interact. energy: -0.254
local terms energy: -63.951893
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -17.211
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -95.481279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.481279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.481279 (E_RNA)
where:
Base-Base interactions energy: -38.400
where: short stacking energy: -32.121
Base-Backbone interact. energy: -0.236
local terms energy: -56.845235
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -7.981
tors. eta vs tors. theta energy: 0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -311.850976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.850976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.850976 (E_RNA)
where:
Base-Base interactions energy: -214.221
where: short stacking energy: -90.138
Base-Backbone interact. energy: -0.047
local terms energy: -97.583391
where:
bonds (distance) C4'-P energy: -19.991
bonds (distance) P-C4' energy: -22.468
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -25.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -298.570062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.570062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.570062 (E_RNA)
where:
Base-Base interactions energy: -208.850
where: short stacking energy: -83.211
Base-Backbone interact. energy: -0.435
local terms energy: -89.284834
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -13.618
tors. eta vs tors. theta energy: -18.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -292.162378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.162378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.162378 (E_RNA)
where:
Base-Base interactions energy: -205.310
where: short stacking energy: -82.474
Base-Backbone interact. energy: -0.332
local terms energy: -86.520694
where:
bonds (distance) C4'-P energy: -19.190
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -273.554460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.554460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.554460 (E_RNA)
where:
Base-Base interactions energy: -178.269
where: short stacking energy: -89.884
Base-Backbone interact. energy: -0.611
local terms energy: -94.674497
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -28.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -285.122778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.122778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.122778 (E_RNA)
where:
Base-Base interactions energy: -195.753
where: short stacking energy: -85.024
Base-Backbone interact. energy: -0.019
local terms energy: -89.351412
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -23.202
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -25.082
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: 6
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -253.200692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.200692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.200692 (E_RNA)
where:
Base-Base interactions energy: -167.560
where: short stacking energy: -72.999
Base-Backbone interact. energy: -0.217
local terms energy: -85.423260
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: -19.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -263.277903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.277903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.277903 (E_RNA)
where:
Base-Base interactions energy: -174.468
where: short stacking energy: -78.217
Base-Backbone interact. energy: -0.609
local terms energy: -88.201612
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -27.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -246.301320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.301320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.301320 (E_RNA)
where:
Base-Base interactions energy: -171.848
where: short stacking energy: -76.444
Base-Backbone interact. energy: -0.023
local terms energy: -74.430842
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -17.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -99.736099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.736099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.736099 (E_RNA)
where:
Base-Base interactions energy: -40.867
where: short stacking energy: -34.919
Base-Backbone interact. energy: -0.069
local terms energy: -58.800738
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -10.048
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -11.034
tors. eta vs tors. theta energy: -4.706
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: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -95.686248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.686248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.686248 (E_RNA)
where:
Base-Base interactions energy: -29.771
where: short stacking energy: -29.771
Base-Backbone interact. energy: -0.058
local terms energy: -65.857375
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -1.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -309.116473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.116473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.116473 (E_RNA)
where:
Base-Base interactions energy: -213.242
where: short stacking energy: -91.350
Base-Backbone interact. energy: -0.543
local terms energy: -95.331395
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -18.032
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -26.350
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: 475
Temperature: 0.950000
Total energy: -302.732526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.732526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.732526 (E_RNA)
where:
Base-Base interactions energy: -215.093
where: short stacking energy: -77.505
Base-Backbone interact. energy: -0.380
local terms energy: -87.260226
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -297.377517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.377517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.377517 (E_RNA)
where:
Base-Base interactions energy: -202.776
where: short stacking energy: -81.939
Base-Backbone interact. energy: -0.745
local terms energy: -93.856731
where:
bonds (distance) C4'-P energy: -18.240
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -16.933
tors. eta vs tors. theta energy: -16.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -301.040319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.040319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.040319 (E_RNA)
where:
Base-Base interactions energy: -211.292
where: short stacking energy: -87.564
Base-Backbone interact. energy: -0.055
local terms energy: -89.693386
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -18.508
flat angles C4'-P-C4' energy: -21.472
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -25.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -274.820448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.820448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.820448 (E_RNA)
where:
Base-Base interactions energy: -179.620
where: short stacking energy: -87.788
Base-Backbone interact. energy: -0.137
local terms energy: -95.063449
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -14.579
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: 6, replica: 10
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -272.679225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.679225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.679225 (E_RNA)
where:
Base-Base interactions energy: -191.790
where: short stacking energy: -79.110
Base-Backbone interact. energy: -0.108
local terms energy: -80.781821
where:
bonds (distance) C4'-P energy: -17.697
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -22.619
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: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -251.706317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.706317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.706317 (E_RNA)
where:
Base-Base interactions energy: -167.775
where: short stacking energy: -75.728
Base-Backbone interact. energy: -0.190
local terms energy: -83.741556
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -19.323
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -25.183
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: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -239.328705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.328705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.328705 (E_RNA)
where:
Base-Base interactions energy: -151.538
where: short stacking energy: -64.194
Base-Backbone interact. energy: -1.232
local terms energy: -86.558195
where:
bonds (distance) C4'-P energy: -17.799
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -11.809
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: 9, replica: 1
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -101.058900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.058900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.058900 (E_RNA)
where:
Base-Base interactions energy: -37.796
where: short stacking energy: -37.796
Base-Backbone interact. energy: 0.495
local terms energy: -63.758519
where:
bonds (distance) C4'-P energy: -5.665
bonds (distance) P-C4' energy: -22.200
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -9.432
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: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -94.043291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.043291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.043291 (E_RNA)
where:
Base-Base interactions energy: -35.216
where: short stacking energy: -35.439
Base-Backbone interact. energy: -0.193
local terms energy: -58.634254
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -22.177
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -5.991
tors. eta vs tors. theta energy: -2.873
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: 1, replica: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -312.675694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.675694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.675694 (E_RNA)
where:
Base-Base interactions energy: -225.934
where: short stacking energy: -90.536
Base-Backbone interact. energy: 0.633
local terms energy: -87.374538
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -18.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -315.013901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.013901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.013901 (E_RNA)
where:
Base-Base interactions energy: -210.772
where: short stacking energy: -90.374
Base-Backbone interact. energy: -0.220
local terms energy: -104.022376
where:
bonds (distance) C4'-P energy: -22.366
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -22.560
flat angles P-C4'-P energy: -16.113
tors. eta vs tors. theta energy: -24.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -298.658286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.658286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.658286 (E_RNA)
where:
Base-Base interactions energy: -209.196
where: short stacking energy: -85.085
Base-Backbone interact. energy: 0.763
local terms energy: -90.225804
where:
bonds (distance) C4'-P energy: -19.336
bonds (distance) P-C4' energy: -20.960
flat angles C4'-P-C4' energy: -20.441
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -16.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -274.805730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.805730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.805730 (E_RNA)
where:
Base-Base interactions energy: -180.126
where: short stacking energy: -87.487
Base-Backbone interact. energy: -0.000
local terms energy: -94.679090
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -15.858
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: 5, replica: 10
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -266.526969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.526969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.526969 (E_RNA)
where:
Base-Base interactions energy: -174.248
where: short stacking energy: -83.943
Base-Backbone interact. energy: -0.721
local terms energy: -91.557769
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -24.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -263.562557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.562557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.562557 (E_RNA)
where:
Base-Base interactions energy: -168.970
where: short stacking energy: -78.326
Base-Backbone interact. energy: -0.096
local terms energy: -94.496695
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -16.478
tors. eta vs tors. theta energy: -20.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -259.402165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.402165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.402165 (E_RNA)
where:
Base-Base interactions energy: -178.256
where: short stacking energy: -86.925
Base-Backbone interact. energy: -0.261
local terms energy: -80.884959
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -28.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -242.950654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.950654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.950654 (E_RNA)
where:
Base-Base interactions energy: -166.698
where: short stacking energy: -68.637
Base-Backbone interact. energy: -0.185
local terms energy: -76.068299
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -17.064
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -103.105751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.105751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.105751 (E_RNA)
where:
Base-Base interactions energy: -35.572
where: short stacking energy: -35.572
Base-Backbone interact. energy: -0.117
local terms energy: -67.417167
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -21.258
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -100.461666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.461666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.461666 (E_RNA)
where:
Base-Base interactions energy: -37.851
where: short stacking energy: -20.144
Base-Backbone interact. energy: -0.376
local terms energy: -62.234316
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -13.255
tors. eta vs tors. theta energy: 1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -307.762694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.762694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.762694 (E_RNA)
where:
Base-Base interactions energy: -217.658
where: short stacking energy: -85.114
Base-Backbone interact. energy: -0.533
local terms energy: -89.572538
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -300.076143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.076143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.076143 (E_RNA)
where:
Base-Base interactions energy: -217.162
where: short stacking energy: -87.630
Base-Backbone interact. energy: 0.981
local terms energy: -83.895805
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -11.206
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: 3, replica: 9
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -302.525017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.525017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.525017 (E_RNA)
where:
Base-Base interactions energy: -209.486
where: short stacking energy: -84.010
Base-Backbone interact. energy: -0.465
local terms energy: -92.573958
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -22.603
flat angles C4'-P-C4' energy: -20.397
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -21.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -268.586486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.586486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.586486 (E_RNA)
where:
Base-Base interactions energy: -168.531
where: short stacking energy: -81.684
Base-Backbone interact. energy: -0.218
local terms energy: -99.837190
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -21.087
flat angles P-C4'-P energy: -10.683
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: 5, replica: 8
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -270.676824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.676824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.676824 (E_RNA)
where:
Base-Base interactions energy: -180.565
where: short stacking energy: -82.464
Base-Backbone interact. energy: -0.229
local terms energy: -89.882152
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -21.041
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -25.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -261.882679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.882679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.882679 (E_RNA)
where:
Base-Base interactions energy: -170.997
where: short stacking energy: -82.942
Base-Backbone interact. energy: 0.080
local terms energy: -90.965864
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -19.622
flat angles P-C4'-P energy: -12.342
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: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -259.895885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.895885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.895885 (E_RNA)
where:
Base-Base interactions energy: -172.935
where: short stacking energy: -70.318
Base-Backbone interact. energy: 1.048
local terms energy: -88.009162
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -23.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -241.185517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.185517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.185517 (E_RNA)
where:
Base-Base interactions energy: -165.400
where: short stacking energy: -71.000
Base-Backbone interact. energy: 0.094
local terms energy: -75.879263
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -13.018
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: 3
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -99.705258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.705258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.705258 (E_RNA)
where:
Base-Base interactions energy: -42.106
where: short stacking energy: -27.854
Base-Backbone interact. energy: -0.272
local terms energy: -57.327157
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: 0.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -103.905704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.905704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.905704 (E_RNA)
where:
Base-Base interactions energy: -57.115
where: short stacking energy: -26.573
Base-Backbone interact. energy: -0.308
local terms energy: -46.482705
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -11.799
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: 0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -307.763711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.763711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.763711 (E_RNA)
where:
Base-Base interactions energy: -214.849
where: short stacking energy: -83.373
Base-Backbone interact. energy: -0.451
local terms energy: -92.463636
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -24.117
flat angles P-C4'-P energy: -12.754
tors. eta vs tors. theta energy: -17.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -298.437072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.437072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.437072 (E_RNA)
where:
Base-Base interactions energy: -203.645
where: short stacking energy: -75.457
Base-Backbone interact. energy: -0.737
local terms energy: -94.055459
where:
bonds (distance) C4'-P energy: -20.455
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -299.203344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.203344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.203344 (E_RNA)
where:
Base-Base interactions energy: -210.056
where: short stacking energy: -99.325
Base-Backbone interact. energy: -0.629
local terms energy: -88.518601
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -27.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -268.304513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.304513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.304513 (E_RNA)
where:
Base-Base interactions energy: -182.208
where: short stacking energy: -93.554
Base-Backbone interact. energy: -0.178
local terms energy: -85.918955
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -28.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -271.752666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.752666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.752666 (E_RNA)
where:
Base-Base interactions energy: -175.383
where: short stacking energy: -86.952
Base-Backbone interact. energy: -0.492
local terms energy: -95.877992
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -27.761
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: 4
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -260.931886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.931886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.931886 (E_RNA)
where:
Base-Base interactions energy: -168.492
where: short stacking energy: -80.312
Base-Backbone interact. energy: -0.006
local terms energy: -92.433679
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -22.942
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: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -265.178780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.178780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.178780 (E_RNA)
where:
Base-Base interactions energy: -182.285
where: short stacking energy: -74.542
Base-Backbone interact. energy: -0.081
local terms energy: -82.812581
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -9.981
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: 8, replica: 5
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -234.258516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.258516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.258516 (E_RNA)
where:
Base-Base interactions energy: -147.702
where: short stacking energy: -65.500
Base-Backbone interact. energy: -0.169
local terms energy: -86.387318
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -14.620
tors. eta vs tors. theta energy: -18.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -97.322715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.322715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.322715 (E_RNA)
where:
Base-Base interactions energy: -42.404
where: short stacking energy: -28.309
Base-Backbone interact. energy: -0.526
local terms energy: -54.392763
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: 1.711
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: 478
Temperature: 1.350000
Total energy: -100.763085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.763085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.763085 (E_RNA)
where:
Base-Base interactions energy: -43.472
where: short stacking energy: -22.396
Base-Backbone interact. energy: -0.345
local terms energy: -56.945268
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -1.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -312.414592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.414592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.414592 (E_RNA)
where:
Base-Base interactions energy: -218.977
where: short stacking energy: -81.658
Base-Backbone interact. energy: -0.394
local terms energy: -93.043385
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -17.272
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: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -307.328697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.328697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.328697 (E_RNA)
where:
Base-Base interactions energy: -205.635
where: short stacking energy: -94.164
Base-Backbone interact. energy: -0.018
local terms energy: -101.676068
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -18.770
flat angles C4'-P-C4' energy: -20.417
flat angles P-C4'-P energy: -12.996
tors. eta vs tors. theta energy: -27.910
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: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -296.633494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.633494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.633494 (E_RNA)
where:
Base-Base interactions energy: -207.679
where: short stacking energy: -73.673
Base-Backbone interact. energy: -0.529
local terms energy: -88.425785
where:
bonds (distance) C4'-P energy: -19.145
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -281.267090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.267090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.267090 (E_RNA)
where:
Base-Base interactions energy: -188.116
where: short stacking energy: -89.417
Base-Backbone interact. energy: -0.015
local terms energy: -93.135815
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -264.670459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.670459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.670459 (E_RNA)
where:
Base-Base interactions energy: -177.720
where: short stacking energy: -85.102
Base-Backbone interact. energy: -0.456
local terms energy: -86.493648
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -23.031
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: 4
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -265.163454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.163454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.163454 (E_RNA)
where:
Base-Base interactions energy: -173.677
where: short stacking energy: -89.752
Base-Backbone interact. energy: -0.052
local terms energy: -91.434230
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -16.819
tors. eta vs tors. theta energy: -25.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -251.586358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.586358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.586358 (E_RNA)
where:
Base-Base interactions energy: -160.822
where: short stacking energy: -78.589
Base-Backbone interact. energy: -0.001
local terms energy: -90.763284
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -18.011
flat angles C4'-P-C4' energy: -20.245
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -22.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -254.557420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.557420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.557420 (E_RNA)
where:
Base-Base interactions energy: -162.743
where: short stacking energy: -81.846
Base-Backbone interact. energy: -0.003
local terms energy: -91.811503
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -13.658
tors. eta vs tors. theta energy: -27.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -129.033685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.033685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.033685 (E_RNA)
where:
Base-Base interactions energy: -73.139
where: short stacking energy: -31.946
Base-Backbone interact. energy: -0.259
local terms energy: -55.635678
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: 3.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -86.618106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.618106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.618106 (E_RNA)
where:
Base-Base interactions energy: -32.871
where: short stacking energy: -28.937
Base-Backbone interact. energy: -0.363
local terms energy: -53.384580
where:
bonds (distance) C4'-P energy: -10.279
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -0.496
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: 9
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -309.111904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.111904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.111904 (E_RNA)
where:
Base-Base interactions energy: -201.685
where: short stacking energy: -85.769
Base-Backbone interact. energy: -3.014
local terms energy: -104.412461
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -24.048
flat angles C4'-P-C4' energy: -22.031
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -27.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -314.097166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.097166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.097166 (E_RNA)
where:
Base-Base interactions energy: -213.416
where: short stacking energy: -82.221
Base-Backbone interact. energy: 0.004
local terms energy: -100.685550
where:
bonds (distance) C4'-P energy: -20.699
bonds (distance) P-C4' energy: -20.381
flat angles C4'-P-C4' energy: -22.350
flat angles P-C4'-P energy: -18.623
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: 3, replica: 7
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -295.479794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.479794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.479794 (E_RNA)
where:
Base-Base interactions energy: -208.959
where: short stacking energy: -79.135
Base-Backbone interact. energy: 0.115
local terms energy: -86.635861
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -20.801
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: 10
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -264.016294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.016294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.016294 (E_RNA)
where:
Base-Base interactions energy: -178.244
where: short stacking energy: -92.595
Base-Backbone interact. energy: -0.154
local terms energy: -85.617564
where:
bonds (distance) C4'-P energy: -19.200
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -23.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -279.766972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.766972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.766972 (E_RNA)
where:
Base-Base interactions energy: -186.064
where: short stacking energy: -91.366
Base-Backbone interact. energy: -0.130
local terms energy: -93.572875
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -28.239
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: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -262.969760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.969760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.969760 (E_RNA)
where:
Base-Base interactions energy: -174.273
where: short stacking energy: -83.691
Base-Backbone interact. energy: -0.905
local terms energy: -87.792045
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -20.345
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -21.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -253.930912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.930912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.930912 (E_RNA)
where:
Base-Base interactions energy: -171.416
where: short stacking energy: -79.596
Base-Backbone interact. energy: -0.625
local terms energy: -81.889241
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -17.437
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -238.954438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.954438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.954438 (E_RNA)
where:
Base-Base interactions energy: -159.090
where: short stacking energy: -76.817
Base-Backbone interact. energy: 0.138
local terms energy: -80.003210
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -22.924
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: 1
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -96.001585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.001585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.001585 (E_RNA)
where:
Base-Base interactions energy: -31.330
where: short stacking energy: -29.700
Base-Backbone interact. energy: -0.165
local terms energy: -64.505959
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -11.177
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -3.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -94.343638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.343638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.343638 (E_RNA)
where:
Base-Base interactions energy: -34.840
where: short stacking energy: -27.975
Base-Backbone interact. energy: -0.317
local terms energy: -59.186068
where:
bonds (distance) C4'-P energy: -19.978
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -2.733
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: 9
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -305.992388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.992388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.992388 (E_RNA)
where:
Base-Base interactions energy: -220.537
where: short stacking energy: -77.239
Base-Backbone interact. energy: -0.532
local terms energy: -84.924072
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -21.519
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -15.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -310.221237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.221237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.221237 (E_RNA)
where:
Base-Base interactions energy: -214.156
where: short stacking energy: -85.908
Base-Backbone interact. energy: -0.273
local terms energy: -95.792234
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -21.312
flat angles P-C4'-P energy: -15.318
tors. eta vs tors. theta energy: -22.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -289.820637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.820637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.820637 (E_RNA)
where:
Base-Base interactions energy: -203.208
where: short stacking energy: -79.235
Base-Backbone interact. energy: -0.371
local terms energy: -86.241170
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -15.881
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: 481
Temperature: 1.050000
Total energy: -277.874374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.874374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.874374 (E_RNA)
where:
Base-Base interactions energy: -186.054
where: short stacking energy: -79.010
Base-Backbone interact. energy: -0.332
local terms energy: -91.488512
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -20.142
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -24.133
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: 10
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -274.007575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.007575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.007575 (E_RNA)
where:
Base-Base interactions energy: -179.362
where: short stacking energy: -91.697
Base-Backbone interact. energy: -0.012
local terms energy: -94.633931
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -19.120
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -24.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -257.426677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.426677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.426677 (E_RNA)
where:
Base-Base interactions energy: -176.874
where: short stacking energy: -88.540
Base-Backbone interact. energy: -0.504
local terms energy: -80.048327
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -24.751
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: 4
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -253.130007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.130007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.130007 (E_RNA)
where:
Base-Base interactions energy: -174.166
where: short stacking energy: -70.702
Base-Backbone interact. energy: -0.200
local terms energy: -78.764247
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -271.626062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.626062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.626062 (E_RNA)
where:
Base-Base interactions energy: -180.031
where: short stacking energy: -83.553
Base-Backbone interact. energy: -0.242
local terms energy: -91.352548
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -19.764
flat angles P-C4'-P energy: -13.338
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: 9, replica: 1
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -91.983303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.983303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.983303 (E_RNA)
where:
Base-Base interactions energy: -30.194
where: short stacking energy: -23.939
Base-Backbone interact. energy: -0.182
local terms energy: -61.606604
where:
bonds (distance) C4'-P energy: -13.483
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -6.054
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: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -92.112708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.112708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.112708 (E_RNA)
where:
Base-Base interactions energy: -40.661
where: short stacking energy: -21.848
Base-Backbone interact. energy: -0.351
local terms energy: -51.100569
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -17.766
flat angles C4'-P-C4' energy: -4.392
flat angles P-C4'-P energy: -14.435
tors. eta vs tors. theta energy: 1.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -304.461069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.461069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.461069 (E_RNA)
where:
Base-Base interactions energy: -210.539
where: short stacking energy: -84.330
Base-Backbone interact. energy: -0.420
local terms energy: -93.502536
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -16.377
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -299.451498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.451498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.451498 (E_RNA)
where:
Base-Base interactions energy: -206.114
where: short stacking energy: -81.456
Base-Backbone interact. energy: -0.646
local terms energy: -92.691845
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -21.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -296.362879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.362879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.362879 (E_RNA)
where:
Base-Base interactions energy: -195.724
where: short stacking energy: -90.760
Base-Backbone interact. energy: -0.017
local terms energy: -100.622043
where:
bonds (distance) C4'-P energy: -17.495
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -22.061
flat angles P-C4'-P energy: -16.280
tors. eta vs tors. theta energy: -27.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -293.673367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.673367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.673367 (E_RNA)
where:
Base-Base interactions energy: -202.629
where: short stacking energy: -83.943
Base-Backbone interact. energy: -0.541
local terms energy: -90.503228
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -14.841
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -267.151716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.151716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.151716 (E_RNA)
where:
Base-Base interactions energy: -185.145
where: short stacking energy: -87.365
Base-Backbone interact. energy: -0.068
local terms energy: -81.938108
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -21.656
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -261.910510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.910510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.910510 (E_RNA)
where:
Base-Base interactions energy: -178.727
where: short stacking energy: -67.665
Base-Backbone interact. energy: -0.261
local terms energy: -82.921735
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -20.797
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -15.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -242.011489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.011489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.011489 (E_RNA)
where:
Base-Base interactions energy: -153.427
where: short stacking energy: -69.441
Base-Backbone interact. energy: -0.070
local terms energy: -88.513827
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -16.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -242.122455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.122455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.122455 (E_RNA)
where:
Base-Base interactions energy: -160.786
where: short stacking energy: -64.663
Base-Backbone interact. energy: -0.013
local terms energy: -81.322803
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -17.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -95.865531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.865531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.865531 (E_RNA)
where:
Base-Base interactions energy: -31.433
where: short stacking energy: -31.433
Base-Backbone interact. energy: -0.048
local terms energy: -64.384343
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -6.126
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -87.209811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.209811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.209811 (E_RNA)
where:
Base-Base interactions energy: -35.593
where: short stacking energy: -23.542
Base-Backbone interact. energy: 0.570
local terms energy: -52.186297
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -8.764
tors. eta vs tors. theta energy: 4.897
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: 9
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -301.592884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.592884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.592884 (E_RNA)
where:
Base-Base interactions energy: -202.740
where: short stacking energy: -82.100
Base-Backbone interact. energy: -0.154
local terms energy: -98.699080
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -15.824
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: 2, replica: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -300.738920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.738920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.738920 (E_RNA)
where:
Base-Base interactions energy: -204.624
where: short stacking energy: -85.652
Base-Backbone interact. energy: -0.703
local terms energy: -95.411727
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -20.713
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -14.763
tors. eta vs tors. theta energy: -25.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -300.765455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.765455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.765455 (E_RNA)
where:
Base-Base interactions energy: -217.517
where: short stacking energy: -85.826
Base-Backbone interact. energy: -0.174
local terms energy: -83.074260
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -20.036
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -285.970204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.970204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.970204 (E_RNA)
where:
Base-Base interactions energy: -204.150
where: short stacking energy: -81.564
Base-Backbone interact. energy: -0.160
local terms energy: -81.660006
where:
bonds (distance) C4'-P energy: -17.932
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -18.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -266.308970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.308970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.308970 (E_RNA)
where:
Base-Base interactions energy: -177.855
where: short stacking energy: -88.744
Base-Backbone interact. energy: -0.032
local terms energy: -88.422101
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -258.265227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.265227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.265227 (E_RNA)
where:
Base-Base interactions energy: -173.003
where: short stacking energy: -85.710
Base-Backbone interact. energy: -0.782
local terms energy: -84.479916
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -20.057
flat angles P-C4'-P energy: -10.109
tors. eta vs tors. theta energy: -23.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -258.578110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.578110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.578110 (E_RNA)
where:
Base-Base interactions energy: -180.106
where: short stacking energy: -71.745
Base-Backbone interact. energy: 0.025
local terms energy: -78.497047
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -9.853
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: 8, replica: 4
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -243.325175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.325175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.325175 (E_RNA)
where:
Base-Base interactions energy: -164.972
where: short stacking energy: -65.476
Base-Backbone interact. energy: -0.447
local terms energy: -77.906409
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -19.745
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -18.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -102.467332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.467332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.467332 (E_RNA)
where:
Base-Base interactions energy: -47.910
where: short stacking energy: -47.910
Base-Backbone interact. energy: 0.645
local terms energy: -55.202161
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -10.448
flat angles P-C4'-P energy: -4.677
tors. eta vs tors. theta energy: -6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -89.589782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.589782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.589782 (E_RNA)
where:
Base-Base interactions energy: -30.745
where: short stacking energy: -16.734
Base-Backbone interact. energy: -0.078
local terms energy: -58.766773
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -22.631
flat angles C4'-P-C4' energy: -9.698
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: 0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -307.416454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.416454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.416454 (E_RNA)
where:
Base-Base interactions energy: -207.904
where: short stacking energy: -85.738
Base-Backbone interact. energy: -0.059
local terms energy: -99.453784
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -21.412
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -24.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -306.862741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.862741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.862741 (E_RNA)
where:
Base-Base interactions energy: -200.280
where: short stacking energy: -95.958
Base-Backbone interact. energy: -0.195
local terms energy: -106.387695
where:
bonds (distance) C4'-P energy: -20.831
bonds (distance) P-C4' energy: -17.627
flat angles C4'-P-C4' energy: -23.701
flat angles P-C4'-P energy: -16.476
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: 3, replica: 7
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -297.396969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.396969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.396969 (E_RNA)
where:
Base-Base interactions energy: -211.028
where: short stacking energy: -80.417
Base-Backbone interact. energy: 0.012
local terms energy: -86.381692
where:
bonds (distance) C4'-P energy: -20.010
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -17.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -291.933000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.933000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.933000 (E_RNA)
where:
Base-Base interactions energy: -208.160
where: short stacking energy: -79.686
Base-Backbone interact. energy: -0.253
local terms energy: -83.519047
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -21.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -287.599457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.599457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.599457 (E_RNA)
where:
Base-Base interactions energy: -199.700
where: short stacking energy: -91.047
Base-Backbone interact. energy: -0.536
local terms energy: -87.363088
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -23.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -255.238372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.238372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.238372 (E_RNA)
where:
Base-Base interactions energy: -174.360
where: short stacking energy: -85.740
Base-Backbone interact. energy: 0.413
local terms energy: -81.291681
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -14.499
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -8.915
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: 7, replica: 4
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -252.483020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.483020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.483020 (E_RNA)
where:
Base-Base interactions energy: -168.120
where: short stacking energy: -80.428
Base-Backbone interact. energy: -0.256
local terms energy: -84.106835
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -8.736
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: 8, replica: 5
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -241.010852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.010852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.010852 (E_RNA)
where:
Base-Base interactions energy: -164.919
where: short stacking energy: -82.015
Base-Backbone interact. energy: -0.147
local terms energy: -75.944466
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -12.084
flat angles C4'-P-C4' energy: -6.250
flat angles P-C4'-P energy: -15.593
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: 1
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -94.905783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.905783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.905783 (E_RNA)
where:
Base-Base interactions energy: -41.199
where: short stacking energy: -23.423
Base-Backbone interact. energy: -0.873
local terms energy: -52.833740
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -1.526
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: 10, replica: 3
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -94.192878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.192878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.192878 (E_RNA)
where:
Base-Base interactions energy: -31.451
where: short stacking energy: -26.835
Base-Backbone interact. energy: 0.295
local terms energy: -63.036342
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -18.538
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -312.829347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.829347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.829347 (E_RNA)
where:
Base-Base interactions energy: -219.624
where: short stacking energy: -90.297
Base-Backbone interact. energy: 0.694
local terms energy: -93.898919
where:
bonds (distance) C4'-P energy: -19.158
bonds (distance) P-C4' energy: -18.450
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -21.103
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: 7
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -301.972600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.972600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.972600 (E_RNA)
where:
Base-Base interactions energy: -203.198
where: short stacking energy: -75.562
Base-Backbone interact. energy: -1.160
local terms energy: -97.615053
where:
bonds (distance) C4'-P energy: -21.380
bonds (distance) P-C4' energy: -22.877
flat angles C4'-P-C4' energy: -19.524
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -291.900108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.900108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.900108 (E_RNA)
where:
Base-Base interactions energy: -195.437
where: short stacking energy: -99.906
Base-Backbone interact. energy: -0.003
local terms energy: -96.459864
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -21.430
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -27.193
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: 4, replica: 10
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -287.261600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.261600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.261600 (E_RNA)
where:
Base-Base interactions energy: -205.306
where: short stacking energy: -97.155
Base-Backbone interact. energy: -0.674
local terms energy: -81.281125
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -14.527
flat angles C4'-P-C4' energy: -23.139
flat angles P-C4'-P energy: -5.707
tors. eta vs tors. theta energy: -22.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -273.418435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.418435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.418435 (E_RNA)
where:
Base-Base interactions energy: -192.589
where: short stacking energy: -72.416
Base-Backbone interact. energy: -0.461
local terms energy: -80.369237
where:
bonds (distance) C4'-P energy: -17.328
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -16.760
flat angles P-C4'-P energy: -11.620
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: 6, replica: 4
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -263.474133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.474133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.474133 (E_RNA)
where:
Base-Base interactions energy: -177.919
where: short stacking energy: -84.024
Base-Backbone interact. energy: -0.906
local terms energy: -84.648427
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -8.244
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -25.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -241.869957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.869957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.869957 (E_RNA)
where:
Base-Base interactions energy: -164.572
where: short stacking energy: -74.039
Base-Backbone interact. energy: 1.053
local terms energy: -78.351385
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -14.541
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -243.289266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.289266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.289266 (E_RNA)
where:
Base-Base interactions energy: -151.918
where: short stacking energy: -79.161
Base-Backbone interact. energy: -0.223
local terms energy: -91.148682
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -21.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -102.581417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.581417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.581417 (E_RNA)
where:
Base-Base interactions energy: -29.456
where: short stacking energy: -29.378
Base-Backbone interact. energy: -0.110
local terms energy: -73.015773
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -9.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -90.593417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.593417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.593417 (E_RNA)
where:
Base-Base interactions energy: -29.497
where: short stacking energy: -28.257
Base-Backbone interact. energy: -0.326
local terms energy: -60.770239
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -6.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -311.645816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.645816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.645816 (E_RNA)
where:
Base-Base interactions energy: -210.474
where: short stacking energy: -87.712
Base-Backbone interact. energy: -0.224
local terms energy: -100.947565
where:
bonds (distance) C4'-P energy: -20.934
bonds (distance) P-C4' energy: -19.437
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -17.298
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: 2, replica: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -307.217784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.217784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.217784 (E_RNA)
where:
Base-Base interactions energy: -218.135
where: short stacking energy: -86.137
Base-Backbone interact. energy: -0.064
local terms energy: -89.019098
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -20.598
flat angles P-C4'-P energy: -15.783
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: 3, replica: 10
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -288.632086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.632086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.632086 (E_RNA)
where:
Base-Base interactions energy: -199.520
where: short stacking energy: -86.999
Base-Backbone interact. energy: 0.954
local terms energy: -90.066592
where:
bonds (distance) C4'-P energy: -16.897
bonds (distance) P-C4' energy: -19.114
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -13.604
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: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -272.960103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.960103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.960103 (E_RNA)
where:
Base-Base interactions energy: -186.227
where: short stacking energy: -79.784
Base-Backbone interact. energy: -0.370
local terms energy: -86.363397
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -20.120
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -20.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -284.189665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.189665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.189665 (E_RNA)
where:
Base-Base interactions energy: -199.010
where: short stacking energy: -82.761
Base-Backbone interact. energy: -0.887
local terms energy: -84.291857
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -22.360
flat angles P-C4'-P energy: -14.182
tors. eta vs tors. theta energy: -14.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -275.394742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.394742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.394742 (E_RNA)
where:
Base-Base interactions energy: -181.351
where: short stacking energy: -89.099
Base-Backbone interact. energy: -0.002
local terms energy: -94.041421
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -20.292
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -26.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -256.618149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.618149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.618149 (E_RNA)
where:
Base-Base interactions energy: -162.022
where: short stacking energy: -72.546
Base-Backbone interact. energy: -0.722
local terms energy: -93.873883
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -20.186
flat angles C4'-P-C4' energy: -20.793
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -20.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -242.941642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.941642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.941642 (E_RNA)
where:
Base-Base interactions energy: -175.504
where: short stacking energy: -68.094
Base-Backbone interact. energy: -0.174
local terms energy: -67.263899
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -11.326
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -18.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -99.306746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.306746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.306746 (E_RNA)
where:
Base-Base interactions energy: -34.132
where: short stacking energy: -34.132
Base-Backbone interact. energy: -0.043
local terms energy: -65.131798
where:
bonds (distance) C4'-P energy: -18.712
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -2.140
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: 1
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -95.480363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.480363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.480363 (E_RNA)
where:
Base-Base interactions energy: -42.898
where: short stacking energy: -38.504
Base-Backbone interact. energy: 0.023
local terms energy: -52.605160
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -20.612
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -0.495
tors. eta vs tors. theta energy: -1.402
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: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -308.092736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.092736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.092736 (E_RNA)
where:
Base-Base interactions energy: -215.399
where: short stacking energy: -90.851
Base-Backbone interact. energy: -0.532
local terms energy: -92.161266
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -21.193
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -21.368
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: 487
Temperature: 0.950000
Total energy: -286.852447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.852447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.852447 (E_RNA)
where:
Base-Base interactions energy: -187.667
where: short stacking energy: -88.756
Base-Backbone interact. energy: -1.127
local terms energy: -98.057771
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -11.671
tors. eta vs tors. theta energy: -23.648
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: 7
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -294.113998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.113998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.113998 (E_RNA)
where:
Base-Base interactions energy: -199.410
where: short stacking energy: -79.198
Base-Backbone interact. energy: -0.464
local terms energy: -94.240461
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -15.745
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: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -295.673234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.673234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.673234 (E_RNA)
where:
Base-Base interactions energy: -199.696
where: short stacking energy: -80.501
Base-Backbone interact. energy: -0.464
local terms energy: -95.513359
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -17.501
flat angles C4'-P-C4' energy: -25.307
flat angles P-C4'-P energy: -15.960
tors. eta vs tors. theta energy: -18.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -262.526875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.526875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.526875 (E_RNA)
where:
Base-Base interactions energy: -171.257
where: short stacking energy: -85.018
Base-Backbone interact. energy: -0.015
local terms energy: -91.254721
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -13.866
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: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -269.393950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.393950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.393950 (E_RNA)
where:
Base-Base interactions energy: -176.615
where: short stacking energy: -84.327
Base-Backbone interact. energy: 4.254
local terms energy: -97.033168
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -21.991
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -23.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -255.281635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.281635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.281635 (E_RNA)
where:
Base-Base interactions energy: -168.433
where: short stacking energy: -77.912
Base-Backbone interact. energy: 0.618
local terms energy: -87.465770
where:
bonds (distance) C4'-P energy: -16.513
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -23.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -181.713841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.713841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.713841 (E_RNA)
where:
Base-Base interactions energy: -108.731
where: short stacking energy: -52.707
Base-Backbone interact. energy: -0.039
local terms energy: -72.944538
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -21.277
flat angles C4'-P-C4' energy: -18.984
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -8.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -103.861640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.861640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.861640 (E_RNA)
where:
Base-Base interactions energy: -39.020
where: short stacking energy: -31.216
Base-Backbone interact. energy: -0.548
local terms energy: -64.294386
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -3.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -90.307426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.307426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.307426 (E_RNA)
where:
Base-Base interactions energy: -27.298
where: short stacking energy: -25.743
Base-Backbone interact. energy: -0.252
local terms energy: -62.757400
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -18.153
flat angles P-C4'-P energy: -12.070
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: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -306.080961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.080961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.080961 (E_RNA)
where:
Base-Base interactions energy: -203.446
where: short stacking energy: -92.527
Base-Backbone interact. energy: -0.379
local terms energy: -102.256097
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -20.964
flat angles C4'-P-C4' energy: -21.620
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -27.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -287.450776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.450776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.450776 (E_RNA)
where:
Base-Base interactions energy: -190.061
where: short stacking energy: -99.309
Base-Backbone interact. energy: -0.975
local terms energy: -96.414895
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -21.726
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -15.447
tors. eta vs tors. theta energy: -26.837
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: 3, replica: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -291.568038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.568038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.568038 (E_RNA)
where:
Base-Base interactions energy: -197.472
where: short stacking energy: -77.238
Base-Backbone interact. energy: 0.522
local terms energy: -94.618406
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -14.420
tors. eta vs tors. theta energy: -19.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -288.582458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.582458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.582458 (E_RNA)
where:
Base-Base interactions energy: -200.454
where: short stacking energy: -83.139
Base-Backbone interact. energy: -0.161
local terms energy: -87.967210
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -24.227
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -18.289
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: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -262.782287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.782287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.782287 (E_RNA)
where:
Base-Base interactions energy: -177.203
where: short stacking energy: -83.611
Base-Backbone interact. energy: -0.006
local terms energy: -85.573635
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -23.609
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: 8
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -259.493556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.493556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.493556 (E_RNA)
where:
Base-Base interactions energy: -166.814
where: short stacking energy: -76.086
Base-Backbone interact. energy: -0.146
local terms energy: -92.532817
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -22.397
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -24.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -241.131672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.131672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.131672 (E_RNA)
where:
Base-Base interactions energy: -152.496
where: short stacking energy: -73.705
Base-Backbone interact. energy: -0.052
local terms energy: -88.583249
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -9.866
tors. eta vs tors. theta energy: -19.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -177.911869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.911869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.911869 (E_RNA)
where:
Base-Base interactions energy: -104.521
where: short stacking energy: -52.692
Base-Backbone interact. energy: -0.137
local terms energy: -73.252997
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -17.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -96.267977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.267977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.267977 (E_RNA)
where:
Base-Base interactions energy: -34.787
where: short stacking energy: -31.883
Base-Backbone interact. energy: 0.496
local terms energy: -61.977437
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -19.021
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -87.136809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.136809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.136809 (E_RNA)
where:
Base-Base interactions energy: -30.570
where: short stacking energy: -29.922
Base-Backbone interact. energy: -0.008
local terms energy: -56.558805
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -13.358
flat angles P-C4'-P energy: -10.582
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: 489
Temperature: 0.900000
Total energy: -313.247514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.247514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.247514 (E_RNA)
where:
Base-Base interactions energy: -222.734
where: short stacking energy: -90.067
Base-Backbone interact. energy: -0.145
local terms energy: -90.369156
where:
bonds (distance) C4'-P energy: -17.580
bonds (distance) P-C4' energy: -20.765
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -18.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -302.314384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.314384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.314384 (E_RNA)
where:
Base-Base interactions energy: -214.020
where: short stacking energy: -81.461
Base-Backbone interact. energy: 0.209
local terms energy: -88.503203
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -19.241
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -14.597
tors. eta vs tors. theta energy: -17.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -276.860923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.860923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.860923 (E_RNA)
where:
Base-Base interactions energy: -183.142
where: short stacking energy: -90.728
Base-Backbone interact. energy: -0.361
local terms energy: -93.357711
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -26.961
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: 7
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -291.924592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.924592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.924592 (E_RNA)
where:
Base-Base interactions energy: -199.260
where: short stacking energy: -73.785
Base-Backbone interact. energy: -0.121
local terms energy: -92.543159
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -19.880
flat angles C4'-P-C4' energy: -20.091
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -22.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -258.658620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.658620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.658620 (E_RNA)
where:
Base-Base interactions energy: -175.123
where: short stacking energy: -79.139
Base-Backbone interact. energy: -0.715
local terms energy: -82.820429
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -259.788459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.788459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.788459 (E_RNA)
where:
Base-Base interactions energy: -177.194
where: short stacking energy: -85.255
Base-Backbone interact. energy: -0.081
local terms energy: -82.513995
where:
bonds (distance) C4'-P energy: -20.243
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -6.672
tors. eta vs tors. theta energy: -23.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -253.955997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.955997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.955997 (E_RNA)
where:
Base-Base interactions energy: -170.817
where: short stacking energy: -73.736
Base-Backbone interact. energy: -0.228
local terms energy: -82.911382
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -18.863
flat angles C4'-P-C4' energy: -18.992
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -22.446
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: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -185.287139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.287139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.287139 (E_RNA)
where:
Base-Base interactions energy: -113.899
where: short stacking energy: -60.504
Base-Backbone interact. energy: -0.714
local terms energy: -70.674157
where:
bonds (distance) C4'-P energy: -19.923
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -8.131
tors. eta vs tors. theta energy: -9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -92.232758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.232758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.232758 (E_RNA)
where:
Base-Base interactions energy: -32.486
where: short stacking energy: -18.727
Base-Backbone interact. energy: -0.811
local terms energy: -58.935165
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: 6.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -101.241588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.241588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.241588 (E_RNA)
where:
Base-Base interactions energy: -43.138
where: short stacking energy: -21.749
Base-Backbone interact. energy: -0.247
local terms energy: -57.856431
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: 3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -308.147747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.147747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.147747 (E_RNA)
where:
Base-Base interactions energy: -202.210
where: short stacking energy: -91.317
Base-Backbone interact. energy: -1.180
local terms energy: -104.758022
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -18.264
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: 2, replica: 2
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -303.990660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.990660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.990660 (E_RNA)
where:
Base-Base interactions energy: -210.688
where: short stacking energy: -74.536
Base-Backbone interact. energy: 1.454
local terms energy: -94.756394
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -17.036
tors. eta vs tors. theta energy: -18.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -298.862561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.862561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.862561 (E_RNA)
where:
Base-Base interactions energy: -213.233
where: short stacking energy: -89.259
Base-Backbone interact. energy: -0.005
local terms energy: -85.625437
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -12.109
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: 4, replica: 10
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -281.789750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.789750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.789750 (E_RNA)
where:
Base-Base interactions energy: -187.618
where: short stacking energy: -83.889
Base-Backbone interact. energy: -0.312
local terms energy: -93.860063
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -271.540093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.540093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.540093 (E_RNA)
where:
Base-Base interactions energy: -178.998
where: short stacking energy: -86.106
Base-Backbone interact. energy: -0.011
local terms energy: -92.531817
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -28.162
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: 5
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -263.257405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.257405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.257405 (E_RNA)
where:
Base-Base interactions energy: -171.280
where: short stacking energy: -78.316
Base-Backbone interact. energy: -0.171
local terms energy: -91.805915
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -22.197
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: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -264.469826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.469826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.469826 (E_RNA)
where:
Base-Base interactions energy: -176.273
where: short stacking energy: -86.645
Base-Backbone interact. energy: -0.002
local terms energy: -88.194377
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -9.308
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: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -217.361249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.361249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.361249 (E_RNA)
where:
Base-Base interactions energy: -136.148
where: short stacking energy: -69.925
Base-Backbone interact. energy: -0.322
local terms energy: -80.890824
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -20.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -104.642171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.642171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.642171 (E_RNA)
where:
Base-Base interactions energy: -44.985
where: short stacking energy: -29.546
Base-Backbone interact. energy: 1.508
local terms energy: -61.166006
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -19.783
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -7.031
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -92.121321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.121321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.121321 (E_RNA)
where:
Base-Base interactions energy: -42.295
where: short stacking energy: -26.150
Base-Backbone interact. energy: -0.105
local terms energy: -49.720994
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: 2.526
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: 1, replica: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -309.420216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.420216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.420216 (E_RNA)
where:
Base-Base interactions energy: -206.577
where: short stacking energy: -85.186
Base-Backbone interact. energy: -1.319
local terms energy: -101.524018
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -21.663
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: -21.862
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: 2, replica: 7
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -309.335507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.335507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.335507 (E_RNA)
where:
Base-Base interactions energy: -217.217
where: short stacking energy: -89.117
Base-Backbone interact. energy: -0.055
local terms energy: -92.063877
where:
bonds (distance) C4'-P energy: -16.690
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -20.139
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -293.951258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.951258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.951258 (E_RNA)
where:
Base-Base interactions energy: -212.232
where: short stacking energy: -75.974
Base-Backbone interact. energy: 0.791
local terms energy: -82.509527
where:
bonds (distance) C4'-P energy: -12.113
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -16.310
tors. eta vs tors. theta energy: -16.360
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: 8
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -286.821918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.821918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.821918 (E_RNA)
where:
Base-Base interactions energy: -184.827
where: short stacking energy: -86.250
Base-Backbone interact. energy: -0.199
local terms energy: -101.795730
where:
bonds (distance) C4'-P energy: -18.783
bonds (distance) P-C4' energy: -21.626
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -28.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -265.152116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.152116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.152116 (E_RNA)
where:
Base-Base interactions energy: -177.976
where: short stacking energy: -88.249
Base-Backbone interact. energy: -0.484
local terms energy: -86.692227
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -20.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -285.540029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.540029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.540029 (E_RNA)
where:
Base-Base interactions energy: -201.184
where: short stacking energy: -90.070
Base-Backbone interact. energy: -0.153
local terms energy: -84.203341
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -23.211
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: 7, replica: 5
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -254.865870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.865870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.865870 (E_RNA)
where:
Base-Base interactions energy: -173.672
where: short stacking energy: -74.101
Base-Backbone interact. energy: -0.204
local terms energy: -80.990056
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -19.394
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -17.510
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: 6
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -243.245896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.245896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.245896 (E_RNA)
where:
Base-Base interactions energy: -161.162
where: short stacking energy: -70.270
Base-Backbone interact. energy: -0.103
local terms energy: -81.980557
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -19.733
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -19.623
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: 3
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -138.217017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.217017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.217017 (E_RNA)
where:
Base-Base interactions energy: -74.135
where: short stacking energy: -46.082
Base-Backbone interact. energy: 0.998
local terms energy: -65.079774
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -21.652
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -3.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -89.837373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.837373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.837373 (E_RNA)
where:
Base-Base interactions energy: -32.205
where: short stacking energy: -25.330
Base-Backbone interact. energy: 0.079
local terms energy: -57.710877
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -12.517
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: 7
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -307.261806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.261806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.261806 (E_RNA)
where:
Base-Base interactions energy: -211.004
where: short stacking energy: -89.256
Base-Backbone interact. energy: -0.026
local terms energy: -96.231445
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -15.498
tors. eta vs tors. theta energy: -22.386
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: 492
Temperature: 0.950000
Total energy: -301.472343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.472343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.472343 (E_RNA)
where:
Base-Base interactions energy: -205.072
where: short stacking energy: -88.826
Base-Backbone interact. energy: -0.098
local terms energy: -96.302221
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -19.951
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -26.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -283.362250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.362250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.362250 (E_RNA)
where:
Base-Base interactions energy: -187.344
where: short stacking energy: -87.976
Base-Backbone interact. energy: -0.195
local terms energy: -95.823351
where:
bonds (distance) C4'-P energy: -21.051
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -22.325
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -24.299
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: 2
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -293.031268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.031268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.031268 (E_RNA)
where:
Base-Base interactions energy: -202.694
where: short stacking energy: -76.810
Base-Backbone interact. energy: -0.458
local terms energy: -89.879169
where:
bonds (distance) C4'-P energy: -16.468
bonds (distance) P-C4' energy: -22.437
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -13.885
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -291.377375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.377375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.377375 (E_RNA)
where:
Base-Base interactions energy: -200.681
where: short stacking energy: -93.640
Base-Backbone interact. energy: -0.602
local terms energy: -90.094153
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -21.588
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -13.065
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: 492
Temperature: 1.150000
Total energy: -249.510860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.510860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.510860 (E_RNA)
where:
Base-Base interactions energy: -159.744
where: short stacking energy: -71.938
Base-Backbone interact. energy: -0.009
local terms energy: -89.757163
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -20.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -280.536123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.536123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.536123 (E_RNA)
where:
Base-Base interactions energy: -188.916
where: short stacking energy: -78.860
Base-Backbone interact. energy: -0.537
local terms energy: -91.083452
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -21.278
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -22.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -243.499133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.499133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.499133 (E_RNA)
where:
Base-Base interactions energy: -162.693
where: short stacking energy: -78.251
Base-Backbone interact. energy: 0.586
local terms energy: -81.391584
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -13.980
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: 9, replica: 1
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -100.038135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.038135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.038135 (E_RNA)
where:
Base-Base interactions energy: -46.574
where: short stacking energy: -37.859
Base-Backbone interact. energy: -0.266
local terms energy: -53.197627
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -9.123
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -12.674
tors. eta vs tors. theta energy: -4.441
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: 3
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -91.867154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.867154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.867154 (E_RNA)
where:
Base-Base interactions energy: -36.092
where: short stacking energy: -19.732
Base-Backbone interact. energy: 0.666
local terms energy: -56.441341
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: 1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -311.120488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.120488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.120488 (E_RNA)
where:
Base-Base interactions energy: -216.807
where: short stacking energy: -92.554
Base-Backbone interact. energy: -0.003
local terms energy: -94.310624
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -21.412
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -14.102
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: 2, replica: 9
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -299.066798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.066798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.066798 (E_RNA)
where:
Base-Base interactions energy: -199.420
where: short stacking energy: -89.946
Base-Backbone interact. energy: -0.004
local terms energy: -99.642672
where:
bonds (distance) C4'-P energy: -18.797
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -14.826
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: 493
Temperature: 1.000000
Total energy: -273.870834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.870834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.870834 (E_RNA)
where:
Base-Base interactions energy: -178.445
where: short stacking energy: -91.946
Base-Backbone interact. energy: -0.654
local terms energy: -94.772360
where:
bonds (distance) C4'-P energy: -18.739
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -15.731
tors. eta vs tors. theta energy: -26.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -296.607194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.607194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.607194 (E_RNA)
where:
Base-Base interactions energy: -206.283
where: short stacking energy: -79.289
Base-Backbone interact. energy: -0.286
local terms energy: -90.038134
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -21.429
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -293.331622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.331622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.331622 (E_RNA)
where:
Base-Base interactions energy: -199.355
where: short stacking energy: -86.139
Base-Backbone interact. energy: -0.005
local terms energy: -93.972210
where:
bonds (distance) C4'-P energy: -20.160
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -19.236
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -21.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -277.643002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.643002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.643002 (E_RNA)
where:
Base-Base interactions energy: -194.927
where: short stacking energy: -86.427
Base-Backbone interact. energy: -0.708
local terms energy: -82.007103
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -13.642
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -25.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -255.671354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.671354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.671354 (E_RNA)
where:
Base-Base interactions energy: -162.400
where: short stacking energy: -74.125
Base-Backbone interact. energy: -0.015
local terms energy: -93.256106
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -20.488
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -11.093
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: 8, replica: 6
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -247.083605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.083605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.083605 (E_RNA)
where:
Base-Base interactions energy: -156.790
where: short stacking energy: -73.689
Base-Backbone interact. energy: -1.042
local terms energy: -89.251105
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -13.467
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -22.273
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: 493
Temperature: 1.300000
Total energy: -119.266567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.266567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.266567 (E_RNA)
where:
Base-Base interactions energy: -61.309
where: short stacking energy: -36.432
Base-Backbone interact. energy: -0.426
local terms energy: -57.531511
where:
bonds (distance) C4'-P energy: -8.250
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -7.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -99.243126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.243126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.243126 (E_RNA)
where:
Base-Base interactions energy: -32.962
where: short stacking energy: -30.659
Base-Backbone interact. energy: -0.479
local terms energy: -65.802298
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -20.892
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -2.754
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: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -308.806754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.806754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.806754 (E_RNA)
where:
Base-Base interactions energy: -205.330
where: short stacking energy: -92.676
Base-Backbone interact. energy: -0.115
local terms energy: -103.361343
where:
bonds (distance) C4'-P energy: -19.352
bonds (distance) P-C4' energy: -20.847
flat angles C4'-P-C4' energy: -21.767
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -27.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -306.692261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.692261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.692261 (E_RNA)
where:
Base-Base interactions energy: -209.417
where: short stacking energy: -86.239
Base-Backbone interact. energy: 0.009
local terms energy: -97.284894
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -22.657
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -26.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -295.034612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.034612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.034612 (E_RNA)
where:
Base-Base interactions energy: -203.637
where: short stacking energy: -79.503
Base-Backbone interact. energy: -0.258
local terms energy: -91.140410
where:
bonds (distance) C4'-P energy: -22.363
bonds (distance) P-C4' energy: -21.231
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -19.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -271.382201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.382201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.382201 (E_RNA)
where:
Base-Base interactions energy: -185.271
where: short stacking energy: -83.844
Base-Backbone interact. energy: -0.012
local terms energy: -86.098294
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -22.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -284.535854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.535854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.535854 (E_RNA)
where:
Base-Base interactions energy: -193.437
where: short stacking energy: -77.243
Base-Backbone interact. energy: -0.188
local terms energy: -90.910738
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -23.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -272.821647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.821647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.821647 (E_RNA)
where:
Base-Base interactions energy: -190.037
where: short stacking energy: -83.202
Base-Backbone interact. energy: -0.722
local terms energy: -82.062783
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -27.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -250.727602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.727602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.727602 (E_RNA)
where:
Base-Base interactions energy: -158.501
where: short stacking energy: -72.822
Base-Backbone interact. energy: -0.418
local terms energy: -91.809033
where:
bonds (distance) C4'-P energy: -21.688
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -21.045
flat angles P-C4'-P energy: -12.387
tors. eta vs tors. theta energy: -18.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -258.283534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.283534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.283534 (E_RNA)
where:
Base-Base interactions energy: -165.501
where: short stacking energy: -73.407
Base-Backbone interact. energy: 1.270
local terms energy: -94.052195
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -20.618
flat angles P-C4'-P energy: -14.387
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: 9, replica: 3
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -110.212430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.212430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.212430 (E_RNA)
where:
Base-Base interactions energy: -43.213
where: short stacking energy: -43.085
Base-Backbone interact. energy: -0.069
local terms energy: -66.929703
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -13.015
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -9.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -108.456139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.456139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.456139 (E_RNA)
where:
Base-Base interactions energy: -40.479
where: short stacking energy: -35.175
Base-Backbone interact. energy: 1.412
local terms energy: -69.388503
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -8.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -312.339976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.339976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.339976 (E_RNA)
where:
Base-Base interactions energy: -217.523
where: short stacking energy: -92.186
Base-Backbone interact. energy: -0.213
local terms energy: -94.603759
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -22.127
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -15.073
tors. eta vs tors. theta energy: -20.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -306.370101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.370101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.370101 (E_RNA)
where:
Base-Base interactions energy: -213.526
where: short stacking energy: -87.196
Base-Backbone interact. energy: -0.012
local terms energy: -92.832036
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -22.560
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -13.898
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: 3, replica: 2
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -290.024121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.024121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.024121 (E_RNA)
where:
Base-Base interactions energy: -202.788
where: short stacking energy: -80.368
Base-Backbone interact. energy: -0.633
local terms energy: -86.603178
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -22.740
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -19.466
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: 4
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -280.963770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.963770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.963770 (E_RNA)
where:
Base-Base interactions energy: -180.206
where: short stacking energy: -83.671
Base-Backbone interact. energy: -0.107
local terms energy: -100.650434
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -21.782
flat angles C4'-P-C4' energy: -20.251
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -23.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -274.030328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.030328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.030328 (E_RNA)
where:
Base-Base interactions energy: -185.124
where: short stacking energy: -93.139
Base-Backbone interact. energy: -0.279
local terms energy: -88.627136
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -22.438
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -250.724116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.724116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.724116 (E_RNA)
where:
Base-Base interactions energy: -162.833
where: short stacking energy: -82.263
Base-Backbone interact. energy: -0.084
local terms energy: -87.807210
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -22.931
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: 7, replica: 6
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -259.299412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.299412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.299412 (E_RNA)
where:
Base-Base interactions energy: -167.886
where: short stacking energy: -79.291
Base-Backbone interact. energy: -0.194
local terms energy: -91.219810
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -15.221
tors. eta vs tors. theta energy: -22.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -219.996951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.996951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.996951 (E_RNA)
where:
Base-Base interactions energy: -136.831
where: short stacking energy: -69.998
Base-Backbone interact. energy: -0.085
local terms energy: -83.080927
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -14.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -93.246419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.246419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.246419 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -29.606
Base-Backbone interact. energy: 0.171
local terms energy: -56.230139
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: 1.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -115.136364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.136364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.136364 (E_RNA)
where:
Base-Base interactions energy: -54.021
where: short stacking energy: -33.714
Base-Backbone interact. energy: -0.130
local terms energy: -60.985677
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -7.199
tors. eta vs tors. theta energy: -5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -309.479736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.479736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.479736 (E_RNA)
where:
Base-Base interactions energy: -209.248
where: short stacking energy: -84.620
Base-Backbone interact. energy: -0.411
local terms energy: -99.820780
where:
bonds (distance) C4'-P energy: -21.865
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -15.972
tors. eta vs tors. theta energy: -24.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -308.854732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.854732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.854732 (E_RNA)
where:
Base-Base interactions energy: -215.075
where: short stacking energy: -93.667
Base-Backbone interact. energy: -0.103
local terms energy: -93.676642
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -19.258
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -23.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -296.865559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.865559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.865559 (E_RNA)
where:
Base-Base interactions energy: -199.006
where: short stacking energy: -80.712
Base-Backbone interact. energy: -0.218
local terms energy: -97.641872
where:
bonds (distance) C4'-P energy: -18.492
bonds (distance) P-C4' energy: -22.388
flat angles C4'-P-C4' energy: -20.025
flat angles P-C4'-P energy: -18.018
tors. eta vs tors. theta energy: -18.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -269.351673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.351673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.351673 (E_RNA)
where:
Base-Base interactions energy: -176.340
where: short stacking energy: -91.343
Base-Backbone interact. energy: -0.411
local terms energy: -92.600055
where:
bonds (distance) C4'-P energy: -12.550
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -28.820
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: 8
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -260.765967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.765967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.765967 (E_RNA)
where:
Base-Base interactions energy: -174.661
where: short stacking energy: -73.705
Base-Backbone interact. energy: -0.051
local terms energy: -86.054521
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -22.392
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -20.976
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: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -257.800181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.800181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.800181 (E_RNA)
where:
Base-Base interactions energy: -169.935
where: short stacking energy: -81.594
Base-Backbone interact. energy: 0.293
local terms energy: -88.157843
where:
bonds (distance) C4'-P energy: -21.857
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -20.780
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: 7, replica: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -258.933630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.933630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.933630 (E_RNA)
where:
Base-Base interactions energy: -168.950
where: short stacking energy: -90.263
Base-Backbone interact. energy: -0.520
local terms energy: -89.464062
where:
bonds (distance) C4'-P energy: -17.141
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -21.624
flat angles P-C4'-P energy: -9.977
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: 8, replica: 6
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -246.178571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.178571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.178571 (E_RNA)
where:
Base-Base interactions energy: -164.779
where: short stacking energy: -73.506
Base-Backbone interact. energy: -0.073
local terms energy: -81.326442
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -18.094
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -9.606
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: 9, replica: 1
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -123.013103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.013103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.013103 (E_RNA)
where:
Base-Base interactions energy: -49.968
where: short stacking energy: -41.920
Base-Backbone interact. energy: -0.112
local terms energy: -72.932949
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -8.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -102.629287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.629287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.629287 (E_RNA)
where:
Base-Base interactions energy: -54.198
where: short stacking energy: -31.987
Base-Backbone interact. energy: -1.011
local terms energy: -47.420090
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: 4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -308.713371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.713371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.713371 (E_RNA)
where:
Base-Base interactions energy: -207.248
where: short stacking energy: -89.003
Base-Backbone interact. energy: -0.086
local terms energy: -101.379172
where:
bonds (distance) C4'-P energy: -19.630
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -22.264
flat angles P-C4'-P energy: -15.223
tors. eta vs tors. theta energy: -25.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -309.360440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.360440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.360440 (E_RNA)
where:
Base-Base interactions energy: -211.796
where: short stacking energy: -93.205
Base-Backbone interact. energy: -0.089
local terms energy: -97.475827
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -19.860
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -26.782
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: 2
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -298.075723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.075723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.075723 (E_RNA)
where:
Base-Base interactions energy: -202.352
where: short stacking energy: -79.455
Base-Backbone interact. energy: -0.320
local terms energy: -95.403911
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -23.548
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -19.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -276.084100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.084100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.084100 (E_RNA)
where:
Base-Base interactions energy: -188.161
where: short stacking energy: -84.899
Base-Backbone interact. energy: -0.981
local terms energy: -86.941737
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -259.108634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.108634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.108634 (E_RNA)
where:
Base-Base interactions energy: -169.257
where: short stacking energy: -77.952
Base-Backbone interact. energy: -0.134
local terms energy: -89.717214
where:
bonds (distance) C4'-P energy: -20.562
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -20.971
flat angles P-C4'-P energy: -13.596
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: 6, replica: 10
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -255.178300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.178300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.178300 (E_RNA)
where:
Base-Base interactions energy: -172.744
where: short stacking energy: -72.918
Base-Backbone interact. energy: -0.273
local terms energy: -82.160669
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -22.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -243.227297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.227297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.227297 (E_RNA)
where:
Base-Base interactions energy: -163.153
where: short stacking energy: -82.484
Base-Backbone interact. energy: -0.438
local terms energy: -79.636399
where:
bonds (distance) C4'-P energy: -6.974
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -15.458
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: 8, replica: 6
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -259.781569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.781569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.781569 (E_RNA)
where:
Base-Base interactions energy: -171.317
where: short stacking energy: -81.613
Base-Backbone interact. energy: -1.118
local terms energy: -87.345851
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -14.831
tors. eta vs tors. theta energy: -22.039
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: 1
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -103.809363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.809363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.809363 (E_RNA)
where:
Base-Base interactions energy: -32.691
where: short stacking energy: -28.348
Base-Backbone interact. energy: -0.142
local terms energy: -70.976575
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -13.146
tors. eta vs tors. theta energy: -3.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -94.496503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.496503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.496503 (E_RNA)
where:
Base-Base interactions energy: -43.625
where: short stacking energy: -18.988
Base-Backbone interact. energy: -0.693
local terms energy: -50.178726
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: 2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/2KXM-7c1aafa1_01
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -315.307626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.307626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.307626 (E_RNA)
where:
Base-Base interactions energy: -212.103
where: short stacking energy: -89.715
Base-Backbone interact. energy: -1.682
local terms energy: -101.522841
where:
bonds (distance) C4'-P energy: -20.074
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -21.959
flat angles P-C4'-P energy: -11.756
tors. eta vs tors. theta energy: -27.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -302.139756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.139756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.139756 (E_RNA)
where:
Base-Base interactions energy: -210.774
where: short stacking energy: -94.702
Base-Backbone interact. energy: 0.226
local terms energy: -91.591318
where:
bonds (distance) C4'-P energy: -20.275
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -26.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -297.242692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.242692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.242692 (E_RNA)
where:
Base-Base interactions energy: -202.443
where: short stacking energy: -92.476
Base-Backbone interact. energy: 0.856
local terms energy: -95.655897
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -21.908
flat angles C4'-P-C4' energy: -21.446
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -21.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -271.292383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.292383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.292383 (E_RNA)
where:
Base-Base interactions energy: -185.417
where: short stacking energy: -80.174
Base-Backbone interact. energy: -0.056
local terms energy: -85.819416
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -18.721
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -13.081
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: 5, replica: 4
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -264.205320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.205320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.205320 (E_RNA)
where:
Base-Base interactions energy: -175.221
where: short stacking energy: -82.619
Base-Backbone interact. energy: -0.002
local terms energy: -88.982400
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -17.998
flat angles P-C4'-P energy: -17.095
tors. eta vs tors. theta energy: -25.545
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: 10
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -250.897233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.897233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.897233 (E_RNA)
where:
Base-Base interactions energy: -166.564
where: short stacking energy: -87.713
Base-Backbone interact. energy: -0.489
local terms energy: -83.844204
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -25.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -269.805606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.805606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.805606 (E_RNA)
where:
Base-Base interactions energy: -176.294
where: short stacking energy: -88.687
Base-Backbone interact. energy: -0.292
local terms energy: -93.219783
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -19.007
flat angles C4'-P-C4' energy: -19.824
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -27.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -242.584747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.584747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.584747 (E_RNA)
where:
Base-Base interactions energy: -159.985
where: short stacking energy: -67.681
Base-Backbone interact. energy: 0.824
local terms energy: -83.424423
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -19.461
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -19.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -92.665248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.665248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.665248 (E_RNA)
where:
Base-Base interactions energy: -45.114
where: short stacking energy: -24.177
Base-Backbone interact. energy: -0.508
local terms energy: -47.043323
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: 8.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -83.147637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.147637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.147637 (E_RNA)
where:
Base-Base interactions energy: -27.630
where: short stacking energy: -27.023
Base-Backbone interact. energy: 0.287
local terms energy: -55.805134
where:
bonds (distance) C4'-P energy: -12.049
bonds (distance) P-C4' energy: -22.671
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -3.268
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -305.896155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.896155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.896155 (E_RNA)
where:
Base-Base interactions energy: -209.199
where: short stacking energy: -89.045
Base-Backbone interact. energy: -1.015
local terms energy: -95.682401
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -22.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -298.005897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.005897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.005897 (E_RNA)
where:
Base-Base interactions energy: -209.744
where: short stacking energy: -88.652
Base-Backbone interact. energy: -0.587
local terms energy: -87.675016
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -9.203
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: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -303.809892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.809892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.809892 (E_RNA)
where:
Base-Base interactions energy: -205.572
where: short stacking energy: -86.129
Base-Backbone interact. energy: -0.458
local terms energy: -97.779932
where:
bonds (distance) C4'-P energy: -19.743
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -13.288
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -275.640962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.640962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.640962 (E_RNA)
where:
Base-Base interactions energy: -184.706
where: short stacking energy: -90.374
Base-Backbone interact. energy: 0.301
local terms energy: -91.235830
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -15.282
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: 5, replica: 8
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -259.862877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.862877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.862877 (E_RNA)
where:
Base-Base interactions energy: -161.167
where: short stacking energy: -69.659
Base-Backbone interact. energy: -0.257
local terms energy: -98.438368
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -17.780
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: 6, replica: 6
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -265.877885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.877885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.877885 (E_RNA)
where:
Base-Base interactions energy: -184.225
where: short stacking energy: -75.025
Base-Backbone interact. energy: -0.479
local terms energy: -81.174106
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -14.845
tors. eta vs tors. theta energy: -19.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -263.370649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.370649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.370649 (E_RNA)
where:
Base-Base interactions energy: -176.670
where: short stacking energy: -82.081
Base-Backbone interact. energy: -0.080
local terms energy: -86.620947
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -21.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -250.290034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.290034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.290034 (E_RNA)
where:
Base-Base interactions energy: -162.985
where: short stacking energy: -78.329
Base-Backbone interact. energy: -0.004
local terms energy: -87.301070
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -23.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -106.599518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.599518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.599518 (E_RNA)
where:
Base-Base interactions energy: -45.217
where: short stacking energy: -28.347
Base-Backbone interact. energy: -0.356
local terms energy: -61.026729
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -12.407
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -119.322687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.322687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.322687 (E_RNA)
where:
Base-Base interactions energy: -54.866
where: short stacking energy: -45.185
Base-Backbone interact. energy: -1.083
local terms energy: -63.373874
where:
bonds (distance) C4'-P energy: -7.897
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -311.354369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.354369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.354369 (E_RNA)
where:
Base-Base interactions energy: -214.859
where: short stacking energy: -90.629
Base-Backbone interact. energy: -2.395
local terms energy: -94.099801
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -16.671
tors. eta vs tors. theta energy: -24.806
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: 7
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -300.951278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.951278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.951278 (E_RNA)
where:
Base-Base interactions energy: -207.477
where: short stacking energy: -88.146
Base-Backbone interact. energy: -0.923
local terms energy: -92.550976
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -13.701
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: 3, replica: 2
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -294.347660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.347660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.347660 (E_RNA)
where:
Base-Base interactions energy: -210.074
where: short stacking energy: -79.965
Base-Backbone interact. energy: -0.959
local terms energy: -83.314603
where:
bonds (distance) C4'-P energy: -10.363
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -16.404
tors. eta vs tors. theta energy: -21.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -273.629964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.629964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.629964 (E_RNA)
where:
Base-Base interactions energy: -185.537
where: short stacking energy: -88.598
Base-Backbone interact. energy: -0.001
local terms energy: -88.091915
where:
bonds (distance) C4'-P energy: -12.932
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -23.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -286.653575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.653575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.653575 (E_RNA)
where:
Base-Base interactions energy: -197.378
where: short stacking energy: -84.439
Base-Backbone interact. energy: -0.117
local terms energy: -89.158142
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -17.719
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -24.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -258.413570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.413570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.413570 (E_RNA)
where:
Base-Base interactions energy: -169.584
where: short stacking energy: -83.347
Base-Backbone interact. energy: -0.121
local terms energy: -88.708096
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -22.901
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -21.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -272.472021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.472021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.472021 (E_RNA)
where:
Base-Base interactions energy: -191.014
where: short stacking energy: -84.527
Base-Backbone interact. energy: -0.011
local terms energy: -81.447449
where:
bonds (distance) C4'-P energy: -9.737
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -12.422
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: 8, replica: 10
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -236.239750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.239750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.239750 (E_RNA)
where:
Base-Base interactions energy: -164.100
where: short stacking energy: -81.708
Base-Backbone interact. energy: -0.581
local terms energy: -71.558912
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -4.808
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: 9, replica: 1
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -107.357887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.357887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.357887 (E_RNA)
where:
Base-Base interactions energy: -39.540
where: short stacking energy: -35.306
Base-Backbone interact. energy: -0.173
local terms energy: -67.645687
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -19.586
flat angles P-C4'-P energy: -6.252
tors. eta vs tors. theta energy: -2.580
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: 10, replica: 3
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -95.029634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.029634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.029634 (E_RNA)
where:
Base-Base interactions energy: -41.489
where: short stacking energy: -31.877
Base-Backbone interact. energy: 2.505
local terms energy: -56.045897
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -19.737
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: 3.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 9
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -305.311690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.311690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.311690 (E_RNA)
where:
Base-Base interactions energy: -207.531
where: short stacking energy: -86.234
Base-Backbone interact. energy: -0.000
local terms energy: -97.780955
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -21.362
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -26.446
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: 501
Temperature: 0.950000
Total energy: -306.412090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.412090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.412090 (E_RNA)
where:
Base-Base interactions energy: -210.151
where: short stacking energy: -91.352
Base-Backbone interact. energy: -0.015
local terms energy: -96.245995
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -19.441
flat angles C4'-P-C4' energy: -19.576
flat angles P-C4'-P energy: -16.318
tors. eta vs tors. theta energy: -23.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -294.496541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.496541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.496541 (E_RNA)
where:
Base-Base interactions energy: -215.265
where: short stacking energy: -81.685
Base-Backbone interact. energy: -0.459
local terms energy: -78.772159
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -11.022
flat angles C4'-P-C4' energy: -18.792
flat angles P-C4'-P energy: -8.585
tors. eta vs tors. theta energy: -20.210
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: 4
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -268.890251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.890251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.890251 (E_RNA)
where:
Base-Base interactions energy: -178.400
where: short stacking energy: -80.380
Base-Backbone interact. energy: -0.012
local terms energy: -90.478508
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -20.153
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -25.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -275.163595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.163595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.163595 (E_RNA)
where:
Base-Base interactions energy: -186.041
where: short stacking energy: -83.893
Base-Backbone interact. energy: -0.016
local terms energy: -89.105739
where:
bonds (distance) C4'-P energy: -22.125
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -8.165
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: 8
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -274.728437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.728437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.728437 (E_RNA)
where:
Base-Base interactions energy: -182.377
where: short stacking energy: -88.526
Base-Backbone interact. energy: -0.172
local terms energy: -92.179735
where:
bonds (distance) C4'-P energy: -19.093
bonds (distance) P-C4' energy: -19.776
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -22.458
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: 5
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -279.861053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.861053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.861053 (E_RNA)
where:
Base-Base interactions energy: -192.745
where: short stacking energy: -85.799
Base-Backbone interact. energy: -0.010
local terms energy: -87.105803
where:
bonds (distance) C4'-P energy: -12.798
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -19.063
flat angles P-C4'-P energy: -12.212
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: 8, replica: 10
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -246.600533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.600533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.600533 (E_RNA)
where:
Base-Base interactions energy: -161.458
where: short stacking energy: -66.601
Base-Backbone interact. energy: -0.430
local terms energy: -84.712042
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -89.828381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.828381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.828381 (E_RNA)
where:
Base-Base interactions energy: -32.395
where: short stacking energy: -31.524
Base-Backbone interact. energy: 0.238
local terms energy: -57.671574
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: 3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -91.662886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.662886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.662886 (E_RNA)
where:
Base-Base interactions energy: -27.912
where: short stacking energy: -27.912
Base-Backbone interact. energy: -0.272
local terms energy: -63.478815
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -5.464
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)
replica 7 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 14799793
moves confirmed later: 16599362
all moves confirmed: 31399155
percent of confirmed moves: 3.924894
current total energy: -278.724027
recalc. total energy: -278.724027
replica 9 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 18484942
moves confirmed later: 21542886
all moves confirmed: 40027828
percent of confirmed moves: 5.003478
current total energy: -292.083212
recalc. total energy: -292.083212
replica 4 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 15857576
moves confirmed later: 17894507
all moves confirmed: 33752083
percent of confirmed moves: 4.219010
current total energy: -243.111088
recalc. total energy: -243.111088
replica 2 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 15308809
moves confirmed later: 17184101
all moves confirmed: 32492910
percent of confirmed moves: 4.061614
current total energy: -229.831781
recalc. total energy: -229.831781
replica 8 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 15683844
moves confirmed later: 17648867
all moves confirmed: 33332711
percent of confirmed moves: 4.166589
current total energy: -217.041417
recalc. total energy: -217.041417
replica 6 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 25505952
moves confirmed later: 30796981
all moves confirmed: 56302933
percent of confirmed moves: 7.037867
current total energy: -221.809457
recalc. total energy: -221.809457
replica 5 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 28374028
moves confirmed later: 34551995
all moves confirmed: 62926023
percent of confirmed moves: 7.865753
current total energy: -230.420323
recalc. total energy: -230.420323
replica 10 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 18065109
moves confirmed later: 20826141
all moves confirmed: 38891250
percent of confirmed moves: 4.861406
current total energy: -154.636716
recalc. total energy: -154.636716
replica 3 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 29455649
moves confirmed later: 35999478
all moves confirmed: 65455127
percent of confirmed moves: 8.181891
current total energy: -48.171595
recalc. total energy: -48.171595
replica 1 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 22469602
moves confirmed later: 26664264
all moves confirmed: 49133866
percent of confirmed moves: 6.141733
current total energy: -62.385450
recalc. total energy: -62.385450
Time of doing 8000000 iterations: 2904.643 seconds