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/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa: 1
curr_seq: _CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa: 1
curr_seq: _CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa: 1
curr_seq: _CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa: 1
curr_seq: _CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa: 1
curr_seq: _CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa: 1
curr_seq: _CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa: 1
curr_seq: _CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa: 1
curr_seq: _CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa: 1
curr_seq: _CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/TBE_TDH_Deletion-d7ee0d3c/inputs/seq.fa: 1
curr_seq: _CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: CUGGCUGAGAAUCACCCUCUCGUGGGUGUUUUCUUGGCUA
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 40 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: 205
n_atoms_counter: 205
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 40.000000 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: -149.343374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.343374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.343374 (E_RNA)
where:
Base-Base interactions energy: -3.298
where: short stacking energy: -3.298
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -149.343374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.343374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.343374 (E_RNA)
where:
Base-Base interactions energy: -3.298
where: short stacking energy: -3.298
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -149.343374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.343374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.343374 (E_RNA)
where:
Base-Base interactions energy: -3.298
where: short stacking energy: -3.298
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -149.343374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.343374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.343374 (E_RNA)
where:
Base-Base interactions energy: -3.298
where: short stacking energy: -3.298
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -149.343374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.343374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.343374 (E_RNA)
where:
Base-Base interactions energy: -3.298
where: short stacking energy: -3.298
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -149.343374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.343374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.343374 (E_RNA)
where:
Base-Base interactions energy: -3.298
where: short stacking energy: -3.298
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -149.343374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.343374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.343374 (E_RNA)
where:
Base-Base interactions energy: -3.298
where: short stacking energy: -3.298
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -149.343374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.343374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.343374 (E_RNA)
where:
Base-Base interactions energy: -3.298
where: short stacking energy: -3.298
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -149.343374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.343374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.343374 (E_RNA)
where:
Base-Base interactions energy: -3.298
where: short stacking energy: -3.298
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -149.343374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.343374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.343374 (E_RNA)
where:
Base-Base interactions energy: -3.298
where: short stacking energy: -3.298
Base-Backbone interact. energy: -0.000
local terms energy: -156.045542
where:
bonds (distance) C4'-P energy: -38.863
bonds (distance) P-C4' energy: -36.681
flat angles C4'-P-C4' energy: -29.369
flat angles P-C4'-P energy: -33.595
tors. eta vs tors. theta energy: -17.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -227.494299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.494299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.494299 (E_RNA)
where:
Base-Base interactions energy: -111.665
where: short stacking energy: -102.727
Base-Backbone interact. energy: -0.880
local terms energy: -124.949498
where:
bonds (distance) C4'-P energy: -28.607
bonds (distance) P-C4' energy: -22.737
flat angles C4'-P-C4' energy: -29.452
flat angles P-C4'-P energy: -13.978
tors. eta vs tors. theta energy: -30.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -206.396787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.396787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.396787 (E_RNA)
where:
Base-Base interactions energy: -86.904
where: short stacking energy: -81.986
Base-Backbone interact. energy: -0.054
local terms energy: -129.439047
where:
bonds (distance) C4'-P energy: -27.895
bonds (distance) P-C4' energy: -30.601
flat angles C4'-P-C4' energy: -28.079
flat angles P-C4'-P energy: -17.449
tors. eta vs tors. theta energy: -25.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -192.910571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.910571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.910571 (E_RNA)
where:
Base-Base interactions energy: -92.995
where: short stacking energy: -88.735
Base-Backbone interact. energy: 3.062
local terms energy: -112.977315
where:
bonds (distance) C4'-P energy: -21.433
bonds (distance) P-C4' energy: -29.947
flat angles C4'-P-C4' energy: -22.198
flat angles P-C4'-P energy: -16.188
tors. eta vs tors. theta energy: -23.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -186.847676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.847676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.847676 (E_RNA)
where:
Base-Base interactions energy: -88.466
where: short stacking energy: -77.507
Base-Backbone interact. energy: -0.222
local terms energy: -108.160060
where:
bonds (distance) C4'-P energy: -28.404
bonds (distance) P-C4' energy: -29.152
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -15.570
tors. eta vs tors. theta energy: -15.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -167.217616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.217616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.217616 (E_RNA)
where:
Base-Base interactions energy: -67.568
where: short stacking energy: -67.568
Base-Backbone interact. energy: -0.018
local terms energy: -109.632281
where:
bonds (distance) C4'-P energy: -30.723
bonds (distance) P-C4' energy: -27.290
flat angles C4'-P-C4' energy: -21.540
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -15.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -165.442551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.442551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.442551 (E_RNA)
where:
Base-Base interactions energy: -72.319
where: short stacking energy: -69.072
Base-Backbone interact. energy: -1.858
local terms energy: -101.266071
where:
bonds (distance) C4'-P energy: -24.185
bonds (distance) P-C4' energy: -26.227
flat angles C4'-P-C4' energy: -22.773
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -13.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -148.327749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.327749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.327749 (E_RNA)
where:
Base-Base interactions energy: -3.298
where: short stacking energy: -3.298
Base-Backbone interact. energy: -0.000
local terms energy: -155.029915
where:
bonds (distance) C4'-P energy: -38.747
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -28.784
flat angles P-C4'-P energy: -33.521
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -148.364991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.364991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.364991 (E_RNA)
where:
Base-Base interactions energy: -3.298
where: short stacking energy: -3.298
Base-Backbone interact. energy: -0.000
local terms energy: -155.067157
where:
bonds (distance) C4'-P energy: -38.747
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -28.784
flat angles P-C4'-P energy: -33.558
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -148.364991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.364991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.364991 (E_RNA)
where:
Base-Base interactions energy: -3.298
where: short stacking energy: -3.298
Base-Backbone interact. energy: -0.000
local terms energy: -155.067157
where:
bonds (distance) C4'-P energy: -38.747
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -28.784
flat angles P-C4'-P energy: -33.558
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -148.364991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.364991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.364991 (E_RNA)
where:
Base-Base interactions energy: -3.298
where: short stacking energy: -3.298
Base-Backbone interact. energy: -0.000
local terms energy: -155.067157
where:
bonds (distance) C4'-P energy: -38.747
bonds (distance) P-C4' energy: -36.674
flat angles C4'-P-C4' energy: -28.784
flat angles P-C4'-P energy: -33.558
tors. eta vs tors. theta energy: -17.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -251.922986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.922986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.922986 (E_RNA)
where:
Base-Base interactions energy: -142.478
where: short stacking energy: -95.836
Base-Backbone interact. energy: -1.935
local terms energy: -117.510310
where:
bonds (distance) C4'-P energy: -26.241
bonds (distance) P-C4' energy: -28.821
flat angles C4'-P-C4' energy: -26.468
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -20.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -206.452125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.452125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.452125 (E_RNA)
where:
Base-Base interactions energy: -95.477
where: short stacking energy: -95.477
Base-Backbone interact. energy: -0.069
local terms energy: -120.906420
where:
bonds (distance) C4'-P energy: -22.237
bonds (distance) P-C4' energy: -27.253
flat angles C4'-P-C4' energy: -27.542
flat angles P-C4'-P energy: -22.438
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -205.119328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.119328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.119328 (E_RNA)
where:
Base-Base interactions energy: -96.389
where: short stacking energy: -95.493
Base-Backbone interact. energy: -0.099
local terms energy: -118.631637
where:
bonds (distance) C4'-P energy: -25.107
bonds (distance) P-C4' energy: -28.707
flat angles C4'-P-C4' energy: -26.215
flat angles P-C4'-P energy: -16.802
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -207.861761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.861761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.861761 (E_RNA)
where:
Base-Base interactions energy: -119.018
where: short stacking energy: -71.046
Base-Backbone interact. energy: -0.135
local terms energy: -98.708089
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -32.271
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -13.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -227.382375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.382375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.382375 (E_RNA)
where:
Base-Base interactions energy: -145.697
where: short stacking energy: -68.748
Base-Backbone interact. energy: -1.568
local terms energy: -90.117690
where:
bonds (distance) C4'-P energy: -24.413
bonds (distance) P-C4' energy: -26.836
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -15.352
tors. eta vs tors. theta energy: -6.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -161.892513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.892513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.892513 (E_RNA)
where:
Base-Base interactions energy: -88.964
where: short stacking energy: -48.417
Base-Backbone interact. energy: 0.903
local terms energy: -83.831597
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -19.520
flat angles P-C4'-P energy: -16.731
tors. eta vs tors. theta energy: -4.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -163.955537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.955537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.955537 (E_RNA)
where:
Base-Base interactions energy: -70.944
where: short stacking energy: -71.163
Base-Backbone interact. energy: -0.487
local terms energy: -102.524377
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -27.968
flat angles C4'-P-C4' energy: -24.211
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -12.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -150.930392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.930392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.930392 (E_RNA)
where:
Base-Base interactions energy: -62.764
where: short stacking energy: -50.940
Base-Backbone interact. energy: -2.407
local terms energy: -95.758931
where:
bonds (distance) C4'-P energy: -20.742
bonds (distance) P-C4' energy: -24.611
flat angles C4'-P-C4' energy: -23.511
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -9.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -131.595866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.595866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.595866 (E_RNA)
where:
Base-Base interactions energy: -68.477
where: short stacking energy: -46.246
Base-Backbone interact. energy: -0.231
local terms energy: -72.887584
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -22.421
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -106.764695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.764695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.764695 (E_RNA)
where:
Base-Base interactions energy: -32.318
where: short stacking energy: -29.626
Base-Backbone interact. energy: 1.365
local terms energy: -85.811975
where:
bonds (distance) C4'-P energy: -26.346
bonds (distance) P-C4' energy: -25.421
flat angles C4'-P-C4' energy: -23.395
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -255.472960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.472960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.472960 (E_RNA)
where:
Base-Base interactions energy: -139.004
where: short stacking energy: -103.972
Base-Backbone interact. energy: 0.525
local terms energy: -126.994466
where:
bonds (distance) C4'-P energy: -28.084
bonds (distance) P-C4' energy: -27.867
flat angles C4'-P-C4' energy: -29.825
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -24.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -214.857145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.857145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.857145 (E_RNA)
where:
Base-Base interactions energy: -104.515
where: short stacking energy: -95.911
Base-Backbone interact. energy: 0.393
local terms energy: -120.735626
where:
bonds (distance) C4'-P energy: -23.893
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -31.163
flat angles P-C4'-P energy: -20.552
tors. eta vs tors. theta energy: -21.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -315.631858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.631858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.631858 (E_RNA)
where:
Base-Base interactions energy: -194.793
where: short stacking energy: -93.025
Base-Backbone interact. energy: -0.692
local terms energy: -130.146649
where:
bonds (distance) C4'-P energy: -28.450
bonds (distance) P-C4' energy: -27.008
flat angles C4'-P-C4' energy: -25.855
flat angles P-C4'-P energy: -18.520
tors. eta vs tors. theta energy: -30.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -226.923910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.923910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.923910 (E_RNA)
where:
Base-Base interactions energy: -116.197
where: short stacking energy: -85.661
Base-Backbone interact. energy: -0.448
local terms energy: -120.278028
where:
bonds (distance) C4'-P energy: -28.216
bonds (distance) P-C4' energy: -23.721
flat angles C4'-P-C4' energy: -28.403
flat angles P-C4'-P energy: -22.959
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -292.113021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.113021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.113021 (E_RNA)
where:
Base-Base interactions energy: -191.156
where: short stacking energy: -92.425
Base-Backbone interact. energy: -0.426
local terms energy: -110.530872
where:
bonds (distance) C4'-P energy: -24.805
bonds (distance) P-C4' energy: -23.036
flat angles C4'-P-C4' energy: -23.837
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -204.532000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.532000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.532000 (E_RNA)
where:
Base-Base interactions energy: -134.467
where: short stacking energy: -60.773
Base-Backbone interact. energy: -0.764
local terms energy: -79.300769
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -24.479
flat angles C4'-P-C4' energy: -23.375
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -3.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -140.682370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.682370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.682370 (E_RNA)
where:
Base-Base interactions energy: -60.989
where: short stacking energy: -54.315
Base-Backbone interact. energy: 1.834
local terms energy: -91.527830
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -31.489
flat angles C4'-P-C4' energy: -24.256
flat angles P-C4'-P energy: -12.556
tors. eta vs tors. theta energy: -5.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -114.718880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.718880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.718880 (E_RNA)
where:
Base-Base interactions energy: -43.207
where: short stacking energy: -41.264
Base-Backbone interact. energy: -0.209
local terms energy: -81.303325
where:
bonds (distance) C4'-P energy: -21.641
bonds (distance) P-C4' energy: -24.925
flat angles C4'-P-C4' energy: -21.531
flat angles P-C4'-P energy: -8.593
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -112.657729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.657729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.657729 (E_RNA)
where:
Base-Base interactions energy: -45.870
where: short stacking energy: -44.326
Base-Backbone interact. energy: -0.519
local terms energy: -76.268726
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -16.555
tors. eta vs tors. theta energy: -1.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -114.158629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.158629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.158629 (E_RNA)
where:
Base-Base interactions energy: -48.156
where: short stacking energy: -44.766
Base-Backbone interact. energy: 3.376
local terms energy: -79.379071
where:
bonds (distance) C4'-P energy: -26.134
bonds (distance) P-C4' energy: -21.815
flat angles C4'-P-C4' energy: -22.619
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: 2.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -246.841712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.841712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.841712 (E_RNA)
where:
Base-Base interactions energy: -134.473
where: short stacking energy: -97.197
Base-Backbone interact. energy: -0.538
local terms energy: -121.831209
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -34.515
flat angles P-C4'-P energy: -16.443
tors. eta vs tors. theta energy: -25.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -328.306398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.306398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.306398 (E_RNA)
where:
Base-Base interactions energy: -219.492
where: short stacking energy: -95.461
Base-Backbone interact. energy: -0.799
local terms energy: -118.016080
where:
bonds (distance) C4'-P energy: -24.147
bonds (distance) P-C4' energy: -28.628
flat angles C4'-P-C4' energy: -26.262
flat angles P-C4'-P energy: -15.618
tors. eta vs tors. theta energy: -23.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -210.378891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.378891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.378891 (E_RNA)
where:
Base-Base interactions energy: -98.351
where: short stacking energy: -92.620
Base-Backbone interact. energy: -0.332
local terms energy: -121.695823
where:
bonds (distance) C4'-P energy: -23.082
bonds (distance) P-C4' energy: -29.268
flat angles C4'-P-C4' energy: -24.715
flat angles P-C4'-P energy: -21.850
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -273.988887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.988887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.988887 (E_RNA)
where:
Base-Base interactions energy: -174.793
where: short stacking energy: -89.244
Base-Backbone interact. energy: -0.862
local terms energy: -108.334237
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -23.179
flat angles C4'-P-C4' energy: -29.484
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -22.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -204.020918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.020918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.020918 (E_RNA)
where:
Base-Base interactions energy: -116.843
where: short stacking energy: -81.392
Base-Backbone interact. energy: -0.496
local terms energy: -96.681948
where:
bonds (distance) C4'-P energy: -26.272
bonds (distance) P-C4' energy: -24.465
flat angles C4'-P-C4' energy: -24.825
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -13.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -220.704154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.704154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.704154 (E_RNA)
where:
Base-Base interactions energy: -124.072
where: short stacking energy: -74.671
Base-Backbone interact. energy: -0.429
local terms energy: -106.203830
where:
bonds (distance) C4'-P energy: -24.240
bonds (distance) P-C4' energy: -24.929
flat angles C4'-P-C4' energy: -17.111
flat angles P-C4'-P energy: -21.267
tors. eta vs tors. theta energy: -18.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -137.982808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.982808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.982808 (E_RNA)
where:
Base-Base interactions energy: -62.952
where: short stacking energy: -62.879
Base-Backbone interact. energy: 0.499
local terms energy: -85.529388
where:
bonds (distance) C4'-P energy: -23.782
bonds (distance) P-C4' energy: -25.993
flat angles C4'-P-C4' energy: -22.443
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -141.722910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.722910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.722910 (E_RNA)
where:
Base-Base interactions energy: -59.770
where: short stacking energy: -51.845
Base-Backbone interact. energy: -0.067
local terms energy: -91.885346
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -20.747
flat angles C4'-P-C4' energy: -20.769
flat angles P-C4'-P energy: -17.017
tors. eta vs tors. theta energy: -8.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -130.489306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.489306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.489306 (E_RNA)
where:
Base-Base interactions energy: -44.502
where: short stacking energy: -40.908
Base-Backbone interact. energy: -0.380
local terms energy: -95.608131
where:
bonds (distance) C4'-P energy: -25.206
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -29.321
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -120.680058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.680058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.680058 (E_RNA)
where:
Base-Base interactions energy: -46.641
where: short stacking energy: -46.641
Base-Backbone interact. energy: -1.163
local terms energy: -82.876373
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -6.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -366.372530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.372530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.372530 (E_RNA)
where:
Base-Base interactions energy: -245.361
where: short stacking energy: -114.319
Base-Backbone interact. energy: -0.195
local terms energy: -130.816704
where:
bonds (distance) C4'-P energy: -30.428
bonds (distance) P-C4' energy: -29.512
flat angles C4'-P-C4' energy: -26.329
flat angles P-C4'-P energy: -15.233
tors. eta vs tors. theta energy: -29.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -261.941770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.941770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.941770 (E_RNA)
where:
Base-Base interactions energy: -141.103
where: short stacking energy: -98.683
Base-Backbone interact. energy: 0.112
local terms energy: -130.950699
where:
bonds (distance) C4'-P energy: -29.905
bonds (distance) P-C4' energy: -27.598
flat angles C4'-P-C4' energy: -27.721
flat angles P-C4'-P energy: -18.102
tors. eta vs tors. theta energy: -27.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -276.789659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.789659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.789659 (E_RNA)
where:
Base-Base interactions energy: -177.261
where: short stacking energy: -94.221
Base-Backbone interact. energy: -0.448
local terms energy: -109.080473
where:
bonds (distance) C4'-P energy: -22.523
bonds (distance) P-C4' energy: -27.481
flat angles C4'-P-C4' energy: -26.422
flat angles P-C4'-P energy: -9.387
tors. eta vs tors. theta energy: -23.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -177.616108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.616108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.616108 (E_RNA)
where:
Base-Base interactions energy: -79.464
where: short stacking energy: -69.353
Base-Backbone interact. energy: -0.381
local terms energy: -107.770387
where:
bonds (distance) C4'-P energy: -23.463
bonds (distance) P-C4' energy: -28.862
flat angles C4'-P-C4' energy: -23.110
flat angles P-C4'-P energy: -17.077
tors. eta vs tors. theta energy: -15.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -207.349367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.349367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.349367 (E_RNA)
where:
Base-Base interactions energy: -116.905
where: short stacking energy: -66.676
Base-Backbone interact. energy: -0.480
local terms energy: -99.964887
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -23.839
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -181.422800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.422800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.422800 (E_RNA)
where:
Base-Base interactions energy: -96.915
where: short stacking energy: -56.140
Base-Backbone interact. energy: -0.429
local terms energy: -94.079427
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -29.700
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -15.657
tors. eta vs tors. theta energy: -6.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -138.480519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.480519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.480519 (E_RNA)
where:
Base-Base interactions energy: -61.090
where: short stacking energy: -40.797
Base-Backbone interact. energy: -0.901
local terms energy: -86.489961
where:
bonds (distance) C4'-P energy: -27.868
bonds (distance) P-C4' energy: -25.380
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -19.511
tors. eta vs tors. theta energy: -0.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -142.926393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.926393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.926393 (E_RNA)
where:
Base-Base interactions energy: -75.414
where: short stacking energy: -66.280
Base-Backbone interact. energy: -0.400
local terms energy: -77.112452
where:
bonds (distance) C4'-P energy: -21.702
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -10.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -136.916061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.916061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.916061 (E_RNA)
where:
Base-Base interactions energy: -60.546
where: short stacking energy: -50.545
Base-Backbone interact. energy: -1.026
local terms energy: -85.344261
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -27.209
flat angles C4'-P-C4' energy: -22.041
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -4.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -116.897350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.897350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.897350 (E_RNA)
where:
Base-Base interactions energy: -40.083
where: short stacking energy: -36.320
Base-Backbone interact. energy: -0.441
local terms energy: -86.373560
where:
bonds (distance) C4'-P energy: -25.356
bonds (distance) P-C4' energy: -23.968
flat angles C4'-P-C4' energy: -20.927
flat angles P-C4'-P energy: -16.130
tors. eta vs tors. theta energy: 0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -370.466300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.466300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.466300 (E_RNA)
where:
Base-Base interactions energy: -254.798
where: short stacking energy: -125.493
Base-Backbone interact. energy: -0.124
local terms energy: -125.544155
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -27.696
flat angles P-C4'-P energy: -19.701
tors. eta vs tors. theta energy: -28.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -316.501200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.501200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.501200 (E_RNA)
where:
Base-Base interactions energy: -208.470
where: short stacking energy: -95.255
Base-Backbone interact. energy: -0.070
local terms energy: -117.961333
where:
bonds (distance) C4'-P energy: -23.108
bonds (distance) P-C4' energy: -23.468
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -21.054
tors. eta vs tors. theta energy: -20.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -279.066150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.066150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.066150 (E_RNA)
where:
Base-Base interactions energy: -172.173
where: short stacking energy: -98.677
Base-Backbone interact. energy: 0.549
local terms energy: -117.442866
where:
bonds (distance) C4'-P energy: -27.024
bonds (distance) P-C4' energy: -25.535
flat angles C4'-P-C4' energy: -21.943
flat angles P-C4'-P energy: -19.656
tors. eta vs tors. theta energy: -23.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -203.676194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.676194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.676194 (E_RNA)
where:
Base-Base interactions energy: -108.112
where: short stacking energy: -92.033
Base-Backbone interact. energy: -0.057
local terms energy: -105.506705
where:
bonds (distance) C4'-P energy: -27.410
bonds (distance) P-C4' energy: -26.701
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -18.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -177.601595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.601595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.601595 (E_RNA)
where:
Base-Base interactions energy: -81.698
where: short stacking energy: -80.744
Base-Backbone interact. energy: -1.479
local terms energy: -104.424413
where:
bonds (distance) C4'-P energy: -24.724
bonds (distance) P-C4' energy: -25.417
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -225.364356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.364356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.364356 (E_RNA)
where:
Base-Base interactions energy: -135.488
where: short stacking energy: -71.941
Base-Backbone interact. energy: -0.327
local terms energy: -99.549803
where:
bonds (distance) C4'-P energy: -26.097
bonds (distance) P-C4' energy: -25.697
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -10.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -149.303450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.303450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.303450 (E_RNA)
where:
Base-Base interactions energy: -68.072
where: short stacking energy: -44.643
Base-Backbone interact. energy: -0.529
local terms energy: -90.702655
where:
bonds (distance) C4'-P energy: -27.206
bonds (distance) P-C4' energy: -26.486
flat angles C4'-P-C4' energy: -22.203
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -0.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -139.360863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.360863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.360863 (E_RNA)
where:
Base-Base interactions energy: -61.458
where: short stacking energy: -46.894
Base-Backbone interact. energy: 0.201
local terms energy: -88.103984
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -24.573
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -18.126
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -126.245302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.245302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.245302 (E_RNA)
where:
Base-Base interactions energy: -78.879
where: short stacking energy: -50.054
Base-Backbone interact. energy: -0.627
local terms energy: -56.739141
where:
bonds (distance) C4'-P energy: -24.840
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -8.401
flat angles P-C4'-P energy: -7.807
tors. eta vs tors. theta energy: 5.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -123.601456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.601456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.601456 (E_RNA)
where:
Base-Base interactions energy: -45.654
where: short stacking energy: -43.642
Base-Backbone interact. energy: -0.236
local terms energy: -87.711647
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -27.935
flat angles C4'-P-C4' energy: -25.472
flat angles P-C4'-P energy: -14.163
tors. eta vs tors. theta energy: 0.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -349.891878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.891878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.891878 (E_RNA)
where:
Base-Base interactions energy: -232.484
where: short stacking energy: -99.427
Base-Backbone interact. energy: -0.081
local terms energy: -127.327508
where:
bonds (distance) C4'-P energy: -25.069
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -25.122
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -28.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -342.717269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.717269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.717269 (E_RNA)
where:
Base-Base interactions energy: -242.663
where: short stacking energy: -105.705
Base-Backbone interact. energy: -1.202
local terms energy: -108.853012
where:
bonds (distance) C4'-P energy: -21.596
bonds (distance) P-C4' energy: -28.684
flat angles C4'-P-C4' energy: -19.757
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -306.791688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.791688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.791688 (E_RNA)
where:
Base-Base interactions energy: -185.403
where: short stacking energy: -92.549
Base-Backbone interact. energy: -0.270
local terms energy: -131.118200
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -30.111
flat angles C4'-P-C4' energy: -30.514
flat angles P-C4'-P energy: -15.174
tors. eta vs tors. theta energy: -28.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -180.402863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.402863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.402863 (E_RNA)
where:
Base-Base interactions energy: -103.884
where: short stacking energy: -76.208
Base-Backbone interact. energy: -0.029
local terms energy: -86.490557
where:
bonds (distance) C4'-P energy: -25.092
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -11.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -259.440963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.440963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.440963 (E_RNA)
where:
Base-Base interactions energy: -158.892
where: short stacking energy: -73.491
Base-Backbone interact. energy: -0.203
local terms energy: -110.346054
where:
bonds (distance) C4'-P energy: -28.345
bonds (distance) P-C4' energy: -25.345
flat angles C4'-P-C4' energy: -24.036
flat angles P-C4'-P energy: -18.046
tors. eta vs tors. theta energy: -14.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -159.440478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.440478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.440478 (E_RNA)
where:
Base-Base interactions energy: -69.930
where: short stacking energy: -67.700
Base-Backbone interact. energy: 2.371
local terms energy: -101.881529
where:
bonds (distance) C4'-P energy: -24.244
bonds (distance) P-C4' energy: -21.777
flat angles C4'-P-C4' energy: -25.273
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -14.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -159.059354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.059354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.059354 (E_RNA)
where:
Base-Base interactions energy: -59.151
where: short stacking energy: -46.393
Base-Backbone interact. energy: -0.232
local terms energy: -109.676136
where:
bonds (distance) C4'-P energy: -28.352
bonds (distance) P-C4' energy: -26.143
flat angles C4'-P-C4' energy: -21.935
flat angles P-C4'-P energy: -23.270
tors. eta vs tors. theta energy: -9.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -133.390377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.390377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.390377 (E_RNA)
where:
Base-Base interactions energy: -58.394
where: short stacking energy: -45.823
Base-Backbone interact. energy: -0.157
local terms energy: -84.839310
where:
bonds (distance) C4'-P energy: -26.953
bonds (distance) P-C4' energy: -19.631
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -18.073
tors. eta vs tors. theta energy: -5.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -119.985833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.985833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.985833 (E_RNA)
where:
Base-Base interactions energy: -54.707
where: short stacking energy: -37.568
Base-Backbone interact. energy: -0.746
local terms energy: -74.532740
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -23.728
flat angles C4'-P-C4' energy: -22.957
flat angles P-C4'-P energy: -13.877
tors. eta vs tors. theta energy: -1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -113.373275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.373275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.373275 (E_RNA)
where:
Base-Base interactions energy: -42.585
where: short stacking energy: -33.494
Base-Backbone interact. energy: 1.940
local terms energy: -82.728725
where:
bonds (distance) C4'-P energy: -25.340
bonds (distance) P-C4' energy: -23.774
flat angles C4'-P-C4' energy: -19.809
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -6.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -372.605014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.605014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.605014 (E_RNA)
where:
Base-Base interactions energy: -257.413
where: short stacking energy: -101.019
Base-Backbone interact. energy: -1.128
local terms energy: -124.063744
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -24.773
flat angles C4'-P-C4' energy: -30.873
flat angles P-C4'-P energy: -21.390
tors. eta vs tors. theta energy: -26.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -352.245242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.245242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.245242 (E_RNA)
where:
Base-Base interactions energy: -233.983
where: short stacking energy: -108.795
Base-Backbone interact. energy: 0.535
local terms energy: -128.797329
where:
bonds (distance) C4'-P energy: -28.912
bonds (distance) P-C4' energy: -29.072
flat angles C4'-P-C4' energy: -28.519
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -28.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -309.826325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.826325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.826325 (E_RNA)
where:
Base-Base interactions energy: -200.818
where: short stacking energy: -91.161
Base-Backbone interact. energy: 1.193
local terms energy: -120.201585
where:
bonds (distance) C4'-P energy: -27.700
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -34.038
flat angles P-C4'-P energy: -16.838
tors. eta vs tors. theta energy: -18.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -284.976372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.976372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.976372 (E_RNA)
where:
Base-Base interactions energy: -185.290
where: short stacking energy: -94.329
Base-Backbone interact. energy: -0.199
local terms energy: -109.487864
where:
bonds (distance) C4'-P energy: -23.184
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -17.097
tors. eta vs tors. theta energy: -22.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -172.000149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.000149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.000149 (E_RNA)
where:
Base-Base interactions energy: -89.591
where: short stacking energy: -75.228
Base-Backbone interact. energy: -0.094
local terms energy: -92.315288
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -23.042
flat angles C4'-P-C4' energy: -25.449
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -9.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -169.021935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.021935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.021935 (E_RNA)
where:
Base-Base interactions energy: -83.613
where: short stacking energy: -61.218
Base-Backbone interact. energy: -0.540
local terms energy: -94.868895
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -30.940
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -12.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -158.078509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.078509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.078509 (E_RNA)
where:
Base-Base interactions energy: -78.859
where: short stacking energy: -46.536
Base-Backbone interact. energy: -0.610
local terms energy: -88.608981
where:
bonds (distance) C4'-P energy: -26.474
bonds (distance) P-C4' energy: -19.373
flat angles C4'-P-C4' energy: -24.077
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -8.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -138.358863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.358863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.358863 (E_RNA)
where:
Base-Base interactions energy: -46.963
where: short stacking energy: -45.687
Base-Backbone interact. energy: -0.325
local terms energy: -101.070232
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -24.428
flat angles C4'-P-C4' energy: -25.190
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -8.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -125.662535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.662535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.662535 (E_RNA)
where:
Base-Base interactions energy: -44.489
where: short stacking energy: -44.361
Base-Backbone interact. energy: -0.142
local terms energy: -91.031582
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -26.011
flat angles P-C4'-P energy: -13.394
tors. eta vs tors. theta energy: -6.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -133.594530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.594530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.594530 (E_RNA)
where:
Base-Base interactions energy: -54.884
where: short stacking energy: -40.895
Base-Backbone interact. energy: 0.081
local terms energy: -88.791033
where:
bonds (distance) C4'-P energy: -27.539
bonds (distance) P-C4' energy: -29.125
flat angles C4'-P-C4' energy: -22.853
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: 1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -390.186782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.186782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.186782 (E_RNA)
where:
Base-Base interactions energy: -263.435
where: short stacking energy: -115.559
Base-Backbone interact. energy: -0.220
local terms energy: -136.531412
where:
bonds (distance) C4'-P energy: -25.761
bonds (distance) P-C4' energy: -28.739
flat angles C4'-P-C4' energy: -29.039
flat angles P-C4'-P energy: -20.518
tors. eta vs tors. theta energy: -32.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -370.271237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.271237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.271237 (E_RNA)
where:
Base-Base interactions energy: -260.332
where: short stacking energy: -106.340
Base-Backbone interact. energy: -0.384
local terms energy: -119.555103
where:
bonds (distance) C4'-P energy: -22.569
bonds (distance) P-C4' energy: -26.821
flat angles C4'-P-C4' energy: -26.073
flat angles P-C4'-P energy: -14.152
tors. eta vs tors. theta energy: -29.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -335.053533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.053533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.053533 (E_RNA)
where:
Base-Base interactions energy: -211.607
where: short stacking energy: -108.197
Base-Backbone interact. energy: 0.354
local terms energy: -133.801102
where:
bonds (distance) C4'-P energy: -28.158
bonds (distance) P-C4' energy: -30.526
flat angles C4'-P-C4' energy: -28.306
flat angles P-C4'-P energy: -17.076
tors. eta vs tors. theta energy: -29.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -306.815940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.815940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.815940 (E_RNA)
where:
Base-Base interactions energy: -204.659
where: short stacking energy: -101.940
Base-Backbone interact. energy: 0.434
local terms energy: -112.590739
where:
bonds (distance) C4'-P energy: -23.050
bonds (distance) P-C4' energy: -26.487
flat angles C4'-P-C4' energy: -21.949
flat angles P-C4'-P energy: -18.608
tors. eta vs tors. theta energy: -22.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -185.160886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.160886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.160886 (E_RNA)
where:
Base-Base interactions energy: -81.586
where: short stacking energy: -65.975
Base-Backbone interact. energy: -0.695
local terms energy: -112.880844
where:
bonds (distance) C4'-P energy: -23.139
bonds (distance) P-C4' energy: -29.227
flat angles C4'-P-C4' energy: -30.077
flat angles P-C4'-P energy: -17.472
tors. eta vs tors. theta energy: -12.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -238.700311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.700311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.700311 (E_RNA)
where:
Base-Base interactions energy: -146.908
where: short stacking energy: -81.701
Base-Backbone interact. energy: 2.009
local terms energy: -103.801117
where:
bonds (distance) C4'-P energy: -25.659
bonds (distance) P-C4' energy: -29.125
flat angles C4'-P-C4' energy: -25.176
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -160.696215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.696215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.696215 (E_RNA)
where:
Base-Base interactions energy: -70.186
where: short stacking energy: -44.185
Base-Backbone interact. energy: -0.742
local terms energy: -99.767800
where:
bonds (distance) C4'-P energy: -20.951
bonds (distance) P-C4' energy: -26.928
flat angles C4'-P-C4' energy: -26.994
flat angles P-C4'-P energy: -21.515
tors. eta vs tors. theta energy: -3.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -146.574791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.574791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.574791 (E_RNA)
where:
Base-Base interactions energy: -83.565
where: short stacking energy: -53.082
Base-Backbone interact. energy: 7.203
local terms energy: -80.213660
where:
bonds (distance) C4'-P energy: -28.306
bonds (distance) P-C4' energy: -25.091
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -116.868468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.868468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.868468 (E_RNA)
where:
Base-Base interactions energy: -48.727
where: short stacking energy: -45.388
Base-Backbone interact. energy: -0.632
local terms energy: -77.509418
where:
bonds (distance) C4'-P energy: -24.543
bonds (distance) P-C4' energy: -27.760
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: 6.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -121.964822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.964822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.964822 (E_RNA)
where:
Base-Base interactions energy: -38.845
where: short stacking energy: -32.684
Base-Backbone interact. energy: 0.751
local terms energy: -93.871358
where:
bonds (distance) C4'-P energy: -23.037
bonds (distance) P-C4' energy: -27.419
flat angles C4'-P-C4' energy: -21.550
flat angles P-C4'-P energy: -18.918
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -378.563314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.563314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.563314 (E_RNA)
where:
Base-Base interactions energy: -260.651
where: short stacking energy: -122.520
Base-Backbone interact. energy: -2.941
local terms energy: -124.971796
where:
bonds (distance) C4'-P energy: -26.655
bonds (distance) P-C4' energy: -26.835
flat angles C4'-P-C4' energy: -25.225
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: -28.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -390.098731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.098731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.098731 (E_RNA)
where:
Base-Base interactions energy: -270.613
where: short stacking energy: -112.860
Base-Backbone interact. energy: -0.475
local terms energy: -129.011409
where:
bonds (distance) C4'-P energy: -26.924
bonds (distance) P-C4' energy: -28.329
flat angles C4'-P-C4' energy: -24.677
flat angles P-C4'-P energy: -19.205
tors. eta vs tors. theta energy: -29.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -331.507063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.507063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.507063 (E_RNA)
where:
Base-Base interactions energy: -205.950
where: short stacking energy: -104.614
Base-Backbone interact. energy: 0.106
local terms energy: -135.663067
where:
bonds (distance) C4'-P energy: -25.297
bonds (distance) P-C4' energy: -28.437
flat angles C4'-P-C4' energy: -30.444
flat angles P-C4'-P energy: -23.551
tors. eta vs tors. theta energy: -27.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -302.442539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.442539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.442539 (E_RNA)
where:
Base-Base interactions energy: -194.760
where: short stacking energy: -97.258
Base-Backbone interact. energy: -0.125
local terms energy: -117.557085
where:
bonds (distance) C4'-P energy: -29.081
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -19.898
tors. eta vs tors. theta energy: -21.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -210.509924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.509924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.509924 (E_RNA)
where:
Base-Base interactions energy: -107.997
where: short stacking energy: -70.566
Base-Backbone interact. energy: 0.580
local terms energy: -113.093022
where:
bonds (distance) C4'-P energy: -28.374
bonds (distance) P-C4' energy: -32.104
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -18.907
tors. eta vs tors. theta energy: -14.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -242.192695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.192695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.192695 (E_RNA)
where:
Base-Base interactions energy: -147.628
where: short stacking energy: -78.600
Base-Backbone interact. energy: -0.767
local terms energy: -103.797753
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -25.719
flat angles C4'-P-C4' energy: -25.693
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -149.462771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.462771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.462771 (E_RNA)
where:
Base-Base interactions energy: -68.615
where: short stacking energy: -51.412
Base-Backbone interact. energy: -1.057
local terms energy: -89.791380
where:
bonds (distance) C4'-P energy: -21.053
bonds (distance) P-C4' energy: -30.274
flat angles C4'-P-C4' energy: -23.157
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -132.841392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.841392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.841392 (E_RNA)
where:
Base-Base interactions energy: -61.830
where: short stacking energy: -51.547
Base-Backbone interact. energy: 0.026
local terms energy: -81.036703
where:
bonds (distance) C4'-P energy: -19.175
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -6.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -121.169302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.169302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.169302 (E_RNA)
where:
Base-Base interactions energy: -50.346
where: short stacking energy: -35.816
Base-Backbone interact. energy: -1.563
local terms energy: -79.259662
where:
bonds (distance) C4'-P energy: -25.740
bonds (distance) P-C4' energy: -23.940
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: 1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -130.220793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.220793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.220793 (E_RNA)
where:
Base-Base interactions energy: -50.150
where: short stacking energy: -47.985
Base-Backbone interact. energy: -0.695
local terms energy: -89.375126
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -26.682
flat angles C4'-P-C4' energy: -22.859
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -10.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -401.320210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.320210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.320210 (E_RNA)
where:
Base-Base interactions energy: -279.523
where: short stacking energy: -124.068
Base-Backbone interact. energy: 0.762
local terms energy: -132.559269
where:
bonds (distance) C4'-P energy: -25.136
bonds (distance) P-C4' energy: -27.915
flat angles C4'-P-C4' energy: -28.358
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -33.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -342.167174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.167174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.167174 (E_RNA)
where:
Base-Base interactions energy: -228.216
where: short stacking energy: -102.661
Base-Backbone interact. energy: -0.257
local terms energy: -123.693960
where:
bonds (distance) C4'-P energy: -29.410
bonds (distance) P-C4' energy: -28.346
flat angles C4'-P-C4' energy: -23.083
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -25.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -330.000733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.000733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.000733 (E_RNA)
where:
Base-Base interactions energy: -214.892
where: short stacking energy: -102.443
Base-Backbone interact. energy: 0.089
local terms energy: -125.198141
where:
bonds (distance) C4'-P energy: -28.157
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -29.027
flat angles P-C4'-P energy: -18.097
tors. eta vs tors. theta energy: -25.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -314.741848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.741848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.741848 (E_RNA)
where:
Base-Base interactions energy: -203.779
where: short stacking energy: -98.448
Base-Backbone interact. energy: -1.121
local terms energy: -119.842460
where:
bonds (distance) C4'-P energy: -24.975
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -30.258
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -25.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -250.797353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.797353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.797353 (E_RNA)
where:
Base-Base interactions energy: -138.581
where: short stacking energy: -77.848
Base-Backbone interact. energy: 0.165
local terms energy: -122.381086
where:
bonds (distance) C4'-P energy: -25.414
bonds (distance) P-C4' energy: -32.141
flat angles C4'-P-C4' energy: -26.197
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -176.739956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.739956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.739956 (E_RNA)
where:
Base-Base interactions energy: -84.463
where: short stacking energy: -60.893
Base-Backbone interact. energy: -1.548
local terms energy: -100.729612
where:
bonds (distance) C4'-P energy: -25.402
bonds (distance) P-C4' energy: -30.309
flat angles C4'-P-C4' energy: -25.987
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -5.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -185.483920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.483920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.483920 (E_RNA)
where:
Base-Base interactions energy: -101.028
where: short stacking energy: -68.827
Base-Backbone interact. energy: 0.084
local terms energy: -94.540484
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -23.962
flat angles C4'-P-C4' energy: -26.344
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -14.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -131.904721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.904721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.904721 (E_RNA)
where:
Base-Base interactions energy: -53.559
where: short stacking energy: -54.759
Base-Backbone interact. energy: -1.260
local terms energy: -87.085913
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -23.235
flat angles P-C4'-P energy: -15.613
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -120.048392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.048392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.048392 (E_RNA)
where:
Base-Base interactions energy: -45.553
where: short stacking energy: -38.457
Base-Backbone interact. energy: -0.509
local terms energy: -83.986615
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -26.929
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -15.728
tors. eta vs tors. theta energy: 0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -121.680770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.680770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.680770 (E_RNA)
where:
Base-Base interactions energy: -45.418
where: short stacking energy: -45.418
Base-Backbone interact. energy: -0.554
local terms energy: -85.708994
where:
bonds (distance) C4'-P energy: -25.620
bonds (distance) P-C4' energy: -27.033
flat angles C4'-P-C4' energy: -18.270
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -3.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -395.325571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.325571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.325571 (E_RNA)
where:
Base-Base interactions energy: -271.006
where: short stacking energy: -118.912
Base-Backbone interact. energy: -0.327
local terms energy: -133.992807
where:
bonds (distance) C4'-P energy: -30.310
bonds (distance) P-C4' energy: -28.007
flat angles C4'-P-C4' energy: -28.321
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -30.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -370.910399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.910399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.910399 (E_RNA)
where:
Base-Base interactions energy: -255.446
where: short stacking energy: -107.585
Base-Backbone interact. energy: 2.270
local terms energy: -127.733961
where:
bonds (distance) C4'-P energy: -24.705
bonds (distance) P-C4' energy: -28.164
flat angles C4'-P-C4' energy: -28.865
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -23.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -329.094421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.094421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.094421 (E_RNA)
where:
Base-Base interactions energy: -226.267
where: short stacking energy: -105.215
Base-Backbone interact. energy: 0.023
local terms energy: -112.850378
where:
bonds (distance) C4'-P energy: -21.798
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -27.777
flat angles P-C4'-P energy: -19.058
tors. eta vs tors. theta energy: -22.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -372.124441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.124441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.124441 (E_RNA)
where:
Base-Base interactions energy: -262.264
where: short stacking energy: -107.663
Base-Backbone interact. energy: -0.379
local terms energy: -119.481505
where:
bonds (distance) C4'-P energy: -25.306
bonds (distance) P-C4' energy: -22.828
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -20.940
tors. eta vs tors. theta energy: -30.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -226.660840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.660840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.660840 (E_RNA)
where:
Base-Base interactions energy: -131.602
where: short stacking energy: -71.985
Base-Backbone interact. energy: -0.048
local terms energy: -105.011063
where:
bonds (distance) C4'-P energy: -25.492
bonds (distance) P-C4' energy: -27.423
flat angles C4'-P-C4' energy: -24.254
flat angles P-C4'-P energy: -16.780
tors. eta vs tors. theta energy: -11.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -211.232741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.232741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.232741 (E_RNA)
where:
Base-Base interactions energy: -116.075
where: short stacking energy: -66.777
Base-Backbone interact. energy: -0.353
local terms energy: -104.804638
where:
bonds (distance) C4'-P energy: -22.419
bonds (distance) P-C4' energy: -23.441
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -164.270244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.270244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.270244 (E_RNA)
where:
Base-Base interactions energy: -92.237
where: short stacking energy: -49.968
Base-Backbone interact. energy: -0.340
local terms energy: -81.692969
where:
bonds (distance) C4'-P energy: -24.818
bonds (distance) P-C4' energy: -22.732
flat angles C4'-P-C4' energy: -15.800
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -4.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -142.131110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.131110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.131110 (E_RNA)
where:
Base-Base interactions energy: -63.049
where: short stacking energy: -40.321
Base-Backbone interact. energy: -1.048
local terms energy: -88.034758
where:
bonds (distance) C4'-P energy: -25.563
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -21.241
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -1.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -120.961965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.961965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.961965 (E_RNA)
where:
Base-Base interactions energy: -47.512
where: short stacking energy: -42.412
Base-Backbone interact. energy: 0.934
local terms energy: -84.383469
where:
bonds (distance) C4'-P energy: -20.798
bonds (distance) P-C4' energy: -27.226
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -127.144747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.144747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.144747 (E_RNA)
where:
Base-Base interactions energy: -55.570
where: short stacking energy: -55.570
Base-Backbone interact. energy: -0.275
local terms energy: -81.299607
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -26.007
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -12.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -397.719607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.719607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.719607 (E_RNA)
where:
Base-Base interactions energy: -277.882
where: short stacking energy: -111.507
Base-Backbone interact. energy: -0.154
local terms energy: -129.683272
where:
bonds (distance) C4'-P energy: -21.861
bonds (distance) P-C4' energy: -29.080
flat angles C4'-P-C4' energy: -32.862
flat angles P-C4'-P energy: -17.289
tors. eta vs tors. theta energy: -28.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -376.374496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.374496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.374496 (E_RNA)
where:
Base-Base interactions energy: -260.806
where: short stacking energy: -106.798
Base-Backbone interact. energy: -1.626
local terms energy: -123.942419
where:
bonds (distance) C4'-P energy: -24.576
bonds (distance) P-C4' energy: -25.001
flat angles C4'-P-C4' energy: -26.859
flat angles P-C4'-P energy: -19.469
tors. eta vs tors. theta energy: -28.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -446.919250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.919250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.919250 (E_RNA)
where:
Base-Base interactions energy: -327.789
where: short stacking energy: -140.811
Base-Backbone interact. energy: -1.224
local terms energy: -127.906544
where:
bonds (distance) C4'-P energy: -23.532
bonds (distance) P-C4' energy: -25.252
flat angles C4'-P-C4' energy: -28.637
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -37.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -326.036678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.036678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.036678 (E_RNA)
where:
Base-Base interactions energy: -222.136
where: short stacking energy: -101.314
Base-Backbone interact. energy: -0.390
local terms energy: -113.511420
where:
bonds (distance) C4'-P energy: -25.671
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -27.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -251.470686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.470686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.470686 (E_RNA)
where:
Base-Base interactions energy: -157.925
where: short stacking energy: -91.467
Base-Backbone interact. energy: -0.292
local terms energy: -103.253502
where:
bonds (distance) C4'-P energy: -21.090
bonds (distance) P-C4' energy: -23.904
flat angles C4'-P-C4' energy: -24.884
flat angles P-C4'-P energy: -17.451
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -207.981666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.981666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.981666 (E_RNA)
where:
Base-Base interactions energy: -119.444
where: short stacking energy: -74.886
Base-Backbone interact. energy: 0.318
local terms energy: -98.854847
where:
bonds (distance) C4'-P energy: -22.838
bonds (distance) P-C4' energy: -25.319
flat angles C4'-P-C4' energy: -27.184
flat angles P-C4'-P energy: -15.688
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -128.627638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.627638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.627638 (E_RNA)
where:
Base-Base interactions energy: -62.314
where: short stacking energy: -37.000
Base-Backbone interact. energy: 2.048
local terms energy: -78.362244
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -15.986
tors. eta vs tors. theta energy: -1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -143.309694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.309694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.309694 (E_RNA)
where:
Base-Base interactions energy: -65.995
where: short stacking energy: -57.051
Base-Backbone interact. energy: 0.635
local terms energy: -87.949006
where:
bonds (distance) C4'-P energy: -21.630
bonds (distance) P-C4' energy: -22.441
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -11.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -135.476088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.476088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.476088 (E_RNA)
where:
Base-Base interactions energy: -51.553
where: short stacking energy: -35.063
Base-Backbone interact. energy: -0.343
local terms energy: -93.580530
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -26.609
flat angles C4'-P-C4' energy: -23.475
flat angles P-C4'-P energy: -18.330
tors. eta vs tors. theta energy: -10.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -114.025795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.025795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.025795 (E_RNA)
where:
Base-Base interactions energy: -57.558
where: short stacking energy: -41.171
Base-Backbone interact. energy: 0.709
local terms energy: -67.176735
where:
bonds (distance) C4'-P energy: -16.603
bonds (distance) P-C4' energy: -26.261
flat angles C4'-P-C4' energy: -24.823
flat angles P-C4'-P energy: -2.204
tors. eta vs tors. theta energy: 2.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -390.820469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.820469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.820469 (E_RNA)
where:
Base-Base interactions energy: -271.203
where: short stacking energy: -130.690
Base-Backbone interact. energy: -0.523
local terms energy: -129.094341
where:
bonds (distance) C4'-P energy: -20.976
bonds (distance) P-C4' energy: -26.660
flat angles C4'-P-C4' energy: -29.521
flat angles P-C4'-P energy: -19.346
tors. eta vs tors. theta energy: -32.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -454.472505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.472505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.472505 (E_RNA)
where:
Base-Base interactions energy: -329.347
where: short stacking energy: -141.087
Base-Backbone interact. energy: -0.599
local terms energy: -134.526319
where:
bonds (distance) C4'-P energy: -25.936
bonds (distance) P-C4' energy: -24.488
flat angles C4'-P-C4' energy: -27.669
flat angles P-C4'-P energy: -17.573
tors. eta vs tors. theta energy: -38.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -371.554341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.554341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.554341 (E_RNA)
where:
Base-Base interactions energy: -268.601
where: short stacking energy: -110.802
Base-Backbone interact. energy: 2.705
local terms energy: -115.657632
where:
bonds (distance) C4'-P energy: -20.945
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -24.102
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -24.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -304.281747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.281747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.281747 (E_RNA)
where:
Base-Base interactions energy: -203.803
where: short stacking energy: -102.317
Base-Backbone interact. energy: -2.006
local terms energy: -108.472324
where:
bonds (distance) C4'-P energy: -20.201
bonds (distance) P-C4' energy: -27.539
flat angles C4'-P-C4' energy: -25.670
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -20.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -265.552168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.552168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.552168 (E_RNA)
where:
Base-Base interactions energy: -170.997
where: short stacking energy: -93.088
Base-Backbone interact. energy: -0.052
local terms energy: -104.502959
where:
bonds (distance) C4'-P energy: -23.776
bonds (distance) P-C4' energy: -25.444
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -16.498
tors. eta vs tors. theta energy: -19.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -180.913985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.913985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.913985 (E_RNA)
where:
Base-Base interactions energy: -81.473
where: short stacking energy: -79.395
Base-Backbone interact. energy: 0.152
local terms energy: -109.593537
where:
bonds (distance) C4'-P energy: -29.735
bonds (distance) P-C4' energy: -22.537
flat angles C4'-P-C4' energy: -22.121
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: -16.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -150.644621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.644621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.644621 (E_RNA)
where:
Base-Base interactions energy: -78.532
where: short stacking energy: -48.297
Base-Backbone interact. energy: 2.268
local terms energy: -84.380252
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -5.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -176.823879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.823879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.823879 (E_RNA)
where:
Base-Base interactions energy: -93.365
where: short stacking energy: -52.268
Base-Backbone interact. energy: -0.232
local terms energy: -93.226827
where:
bonds (distance) C4'-P energy: -27.650
bonds (distance) P-C4' energy: -26.382
flat angles C4'-P-C4' energy: -22.445
flat angles P-C4'-P energy: -9.267
tors. eta vs tors. theta energy: -7.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -130.696554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.696554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.696554 (E_RNA)
where:
Base-Base interactions energy: -51.924
where: short stacking energy: -37.471
Base-Backbone interact. energy: 0.669
local terms energy: -89.441774
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -27.894
flat angles C4'-P-C4' energy: -24.329
flat angles P-C4'-P energy: -14.102
tors. eta vs tors. theta energy: -1.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -121.114314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.114314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.114314 (E_RNA)
where:
Base-Base interactions energy: -56.794
where: short stacking energy: -51.820
Base-Backbone interact. energy: -0.317
local terms energy: -74.004124
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -22.408
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -4.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -483.501704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.501704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.501704 (E_RNA)
where:
Base-Base interactions energy: -342.056
where: short stacking energy: -146.007
Base-Backbone interact. energy: -1.383
local terms energy: -150.062153
where:
bonds (distance) C4'-P energy: -27.097
bonds (distance) P-C4' energy: -31.454
flat angles C4'-P-C4' energy: -28.610
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -41.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -373.725244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.725244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.725244 (E_RNA)
where:
Base-Base interactions energy: -253.163
where: short stacking energy: -116.338
Base-Backbone interact. energy: -1.126
local terms energy: -129.436565
where:
bonds (distance) C4'-P energy: -24.615
bonds (distance) P-C4' energy: -26.539
flat angles C4'-P-C4' energy: -26.412
flat angles P-C4'-P energy: -22.814
tors. eta vs tors. theta energy: -29.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -318.382522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.382522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.382522 (E_RNA)
where:
Base-Base interactions energy: -204.616
where: short stacking energy: -100.505
Base-Backbone interact. energy: -0.511
local terms energy: -123.255440
where:
bonds (distance) C4'-P energy: -28.476
bonds (distance) P-C4' energy: -25.921
flat angles C4'-P-C4' energy: -30.067
flat angles P-C4'-P energy: -19.391
tors. eta vs tors. theta energy: -19.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -333.106326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.106326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.106326 (E_RNA)
where:
Base-Base interactions energy: -215.145
where: short stacking energy: -84.802
Base-Backbone interact. energy: -0.296
local terms energy: -127.665349
where:
bonds (distance) C4'-P energy: -29.280
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -28.635
flat angles P-C4'-P energy: -19.541
tors. eta vs tors. theta energy: -24.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -259.544069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.544069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.544069 (E_RNA)
where:
Base-Base interactions energy: -151.344
where: short stacking energy: -98.807
Base-Backbone interact. energy: -0.488
local terms energy: -117.712618
where:
bonds (distance) C4'-P energy: -24.286
bonds (distance) P-C4' energy: -21.646
flat angles C4'-P-C4' energy: -26.826
flat angles P-C4'-P energy: -20.529
tors. eta vs tors. theta energy: -24.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -153.379361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.379361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.379361 (E_RNA)
where:
Base-Base interactions energy: -70.802
where: short stacking energy: -48.794
Base-Backbone interact. energy: -0.032
local terms energy: -92.545120
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -27.045
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -19.656
tors. eta vs tors. theta energy: -6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -213.727126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.727126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.727126 (E_RNA)
where:
Base-Base interactions energy: -118.471
where: short stacking energy: -72.747
Base-Backbone interact. energy: -0.589
local terms energy: -104.667204
where:
bonds (distance) C4'-P energy: -23.968
bonds (distance) P-C4' energy: -26.358
flat angles C4'-P-C4' energy: -23.502
flat angles P-C4'-P energy: -19.591
tors. eta vs tors. theta energy: -11.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -141.820788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.820788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.820788 (E_RNA)
where:
Base-Base interactions energy: -62.260
where: short stacking energy: -56.395
Base-Backbone interact. energy: 1.037
local terms energy: -90.597300
where:
bonds (distance) C4'-P energy: -23.479
bonds (distance) P-C4' energy: -25.639
flat angles C4'-P-C4' energy: -23.390
flat angles P-C4'-P energy: -13.841
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -124.109812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.109812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.109812 (E_RNA)
where:
Base-Base interactions energy: -44.250
where: short stacking energy: -40.466
Base-Backbone interact. energy: -0.351
local terms energy: -89.508680
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -27.775
flat angles C4'-P-C4' energy: -24.737
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -1.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -125.086044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.086044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.086044 (E_RNA)
where:
Base-Base interactions energy: -48.079
where: short stacking energy: -43.616
Base-Backbone interact. energy: 0.394
local terms energy: -87.400815
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -30.338
flat angles C4'-P-C4' energy: -22.439
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -490.489323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.489323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.489323 (E_RNA)
where:
Base-Base interactions energy: -349.584
where: short stacking energy: -147.887
Base-Backbone interact. energy: -0.005
local terms energy: -150.899894
where:
bonds (distance) C4'-P energy: -23.911
bonds (distance) P-C4' energy: -30.735
flat angles C4'-P-C4' energy: -29.398
flat angles P-C4'-P energy: -22.617
tors. eta vs tors. theta energy: -44.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -358.631297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.631297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.631297 (E_RNA)
where:
Base-Base interactions energy: -239.901
where: short stacking energy: -103.676
Base-Backbone interact. energy: -0.566
local terms energy: -128.164875
where:
bonds (distance) C4'-P energy: -26.600
bonds (distance) P-C4' energy: -30.317
flat angles C4'-P-C4' energy: -26.393
flat angles P-C4'-P energy: -16.052
tors. eta vs tors. theta energy: -28.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -348.279317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.279317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.279317 (E_RNA)
where:
Base-Base interactions energy: -221.865
where: short stacking energy: -120.659
Base-Backbone interact. energy: -1.733
local terms energy: -134.681041
where:
bonds (distance) C4'-P energy: -29.193
bonds (distance) P-C4' energy: -24.244
flat angles C4'-P-C4' energy: -29.382
flat angles P-C4'-P energy: -16.273
tors. eta vs tors. theta energy: -35.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -342.541518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.541518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.541518 (E_RNA)
where:
Base-Base interactions energy: -240.523
where: short stacking energy: -81.410
Base-Backbone interact. energy: 0.162
local terms energy: -112.181420
where:
bonds (distance) C4'-P energy: -25.034
bonds (distance) P-C4' energy: -28.669
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -17.990
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -264.260266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.260266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.260266 (E_RNA)
where:
Base-Base interactions energy: -165.920
where: short stacking energy: -89.922
Base-Backbone interact. energy: -0.126
local terms energy: -108.214423
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -30.630
flat angles C4'-P-C4' energy: -20.207
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -23.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -202.269762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.269762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.269762 (E_RNA)
where:
Base-Base interactions energy: -114.048
where: short stacking energy: -78.636
Base-Backbone interact. energy: -0.119
local terms energy: -98.101917
where:
bonds (distance) C4'-P energy: -21.858
bonds (distance) P-C4' energy: -24.384
flat angles C4'-P-C4' energy: -25.705
flat angles P-C4'-P energy: -13.341
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -146.647545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.647545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.647545 (E_RNA)
where:
Base-Base interactions energy: -63.469
where: short stacking energy: -63.469
Base-Backbone interact. energy: 3.784
local terms energy: -96.962587
where:
bonds (distance) C4'-P energy: -22.710
bonds (distance) P-C4' energy: -22.265
flat angles C4'-P-C4' energy: -25.951
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -163.464551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.464551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.464551 (E_RNA)
where:
Base-Base interactions energy: -82.179
where: short stacking energy: -65.914
Base-Backbone interact. energy: -0.286
local terms energy: -90.999459
where:
bonds (distance) C4'-P energy: -24.441
bonds (distance) P-C4' energy: -21.360
flat angles C4'-P-C4' energy: -21.276
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -11.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -143.687027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.687027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.687027 (E_RNA)
where:
Base-Base interactions energy: -68.497
where: short stacking energy: -63.969
Base-Backbone interact. energy: 0.161
local terms energy: -85.351287
where:
bonds (distance) C4'-P energy: -22.038
bonds (distance) P-C4' energy: -21.473
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -15.173
tors. eta vs tors. theta energy: -9.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -124.412471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.412471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.412471 (E_RNA)
where:
Base-Base interactions energy: -60.171
where: short stacking energy: -56.166
Base-Backbone interact. energy: -0.193
local terms energy: -74.048118
where:
bonds (distance) C4'-P energy: -21.657
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -6.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -487.865719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.865719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.865719 (E_RNA)
where:
Base-Base interactions energy: -349.184
where: short stacking energy: -146.940
Base-Backbone interact. energy: -1.469
local terms energy: -147.212571
where:
bonds (distance) C4'-P energy: -24.157
bonds (distance) P-C4' energy: -25.929
flat angles C4'-P-C4' energy: -33.324
flat angles P-C4'-P energy: -20.186
tors. eta vs tors. theta energy: -43.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -380.327232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.327232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.327232 (E_RNA)
where:
Base-Base interactions energy: -252.401
where: short stacking energy: -116.097
Base-Backbone interact. energy: -0.284
local terms energy: -137.642016
where:
bonds (distance) C4'-P energy: -27.329
bonds (distance) P-C4' energy: -25.488
flat angles C4'-P-C4' energy: -30.410
flat angles P-C4'-P energy: -19.432
tors. eta vs tors. theta energy: -34.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -337.548658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.548658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.548658 (E_RNA)
where:
Base-Base interactions energy: -226.539
where: short stacking energy: -108.809
Base-Backbone interact. energy: -0.643
local terms energy: -120.366425
where:
bonds (distance) C4'-P energy: -27.823
bonds (distance) P-C4' energy: -25.311
flat angles C4'-P-C4' energy: -24.245
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -26.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -336.484255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.484255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.484255 (E_RNA)
where:
Base-Base interactions energy: -224.521
where: short stacking energy: -106.564
Base-Backbone interact. energy: 1.017
local terms energy: -122.980214
where:
bonds (distance) C4'-P energy: -23.586
bonds (distance) P-C4' energy: -27.840
flat angles C4'-P-C4' energy: -27.501
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -23.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -274.134023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.134023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.134023 (E_RNA)
where:
Base-Base interactions energy: -175.991
where: short stacking energy: -102.057
Base-Backbone interact. energy: -0.102
local terms energy: -108.041184
where:
bonds (distance) C4'-P energy: -20.673
bonds (distance) P-C4' energy: -28.977
flat angles C4'-P-C4' energy: -23.918
flat angles P-C4'-P energy: -14.460
tors. eta vs tors. theta energy: -20.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -232.575309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.575309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.575309 (E_RNA)
where:
Base-Base interactions energy: -144.929
where: short stacking energy: -87.439
Base-Backbone interact. energy: -0.305
local terms energy: -97.341037
where:
bonds (distance) C4'-P energy: -28.099
bonds (distance) P-C4' energy: -22.660
flat angles C4'-P-C4' energy: -23.776
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -231.662892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.662892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.662892 (E_RNA)
where:
Base-Base interactions energy: -140.430
where: short stacking energy: -78.896
Base-Backbone interact. energy: -0.767
local terms energy: -100.466402
where:
bonds (distance) C4'-P energy: -22.396
bonds (distance) P-C4' energy: -22.130
flat angles C4'-P-C4' energy: -23.755
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -22.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -133.707920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.707920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.707920 (E_RNA)
where:
Base-Base interactions energy: -58.819
where: short stacking energy: -56.063
Base-Backbone interact. energy: 2.581
local terms energy: -87.470204
where:
bonds (distance) C4'-P energy: -28.661
bonds (distance) P-C4' energy: -28.001
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -1.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -120.400145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.400145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.400145 (E_RNA)
where:
Base-Base interactions energy: -52.714
where: short stacking energy: -24.759
Base-Backbone interact. energy: 0.825
local terms energy: -78.511304
where:
bonds (distance) C4'-P energy: -29.441
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -22.155
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: 7.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -128.252789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.252789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.252789 (E_RNA)
where:
Base-Base interactions energy: -52.154
where: short stacking energy: -52.154
Base-Backbone interact. energy: 0.263
local terms energy: -86.361439
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -28.852
flat angles P-C4'-P energy: -17.467
tors. eta vs tors. theta energy: -2.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -500.442762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.442762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.442762 (E_RNA)
where:
Base-Base interactions energy: -356.310
where: short stacking energy: -158.939
Base-Backbone interact. energy: -0.014
local terms energy: -154.118264
where:
bonds (distance) C4'-P energy: -29.334
bonds (distance) P-C4' energy: -25.502
flat angles C4'-P-C4' energy: -31.301
flat angles P-C4'-P energy: -24.933
tors. eta vs tors. theta energy: -43.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -364.209463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.209463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.209463 (E_RNA)
where:
Base-Base interactions energy: -257.837
where: short stacking energy: -105.697
Base-Backbone interact. energy: -0.518
local terms energy: -115.853589
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -27.043
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -19.715
tors. eta vs tors. theta energy: -21.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -340.343123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.343123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.343123 (E_RNA)
where:
Base-Base interactions energy: -221.153
where: short stacking energy: -106.731
Base-Backbone interact. energy: -0.323
local terms energy: -128.867213
where:
bonds (distance) C4'-P energy: -29.465
bonds (distance) P-C4' energy: -27.488
flat angles C4'-P-C4' energy: -28.659
flat angles P-C4'-P energy: -15.569
tors. eta vs tors. theta energy: -27.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -354.768136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.768136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.768136 (E_RNA)
where:
Base-Base interactions energy: -249.831
where: short stacking energy: -102.182
Base-Backbone interact. energy: 0.141
local terms energy: -115.078742
where:
bonds (distance) C4'-P energy: -28.108
bonds (distance) P-C4' energy: -24.105
flat angles C4'-P-C4' energy: -21.505
flat angles P-C4'-P energy: -20.590
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -274.230854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.230854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.230854 (E_RNA)
where:
Base-Base interactions energy: -169.784
where: short stacking energy: -94.994
Base-Backbone interact. energy: -0.462
local terms energy: -113.984766
where:
bonds (distance) C4'-P energy: -30.368
bonds (distance) P-C4' energy: -28.263
flat angles C4'-P-C4' energy: -26.176
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: -16.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -267.775958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.775958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.775958 (E_RNA)
where:
Base-Base interactions energy: -173.264
where: short stacking energy: -86.596
Base-Backbone interact. energy: -0.914
local terms energy: -103.597890
where:
bonds (distance) C4'-P energy: -26.592
bonds (distance) P-C4' energy: -23.004
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -22.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -213.773030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.773030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.773030 (E_RNA)
where:
Base-Base interactions energy: -130.371
where: short stacking energy: -69.305
Base-Backbone interact. energy: -1.850
local terms energy: -91.551983
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -22.192
flat angles C4'-P-C4' energy: -19.861
flat angles P-C4'-P energy: -20.771
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -145.340078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.340078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.340078 (E_RNA)
where:
Base-Base interactions energy: -63.256
where: short stacking energy: -41.002
Base-Backbone interact. energy: -0.435
local terms energy: -91.649098
where:
bonds (distance) C4'-P energy: -23.825
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -25.447
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -132.173965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.173965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.173965 (E_RNA)
where:
Base-Base interactions energy: -56.426
where: short stacking energy: -45.579
Base-Backbone interact. energy: 0.367
local terms energy: -86.115212
where:
bonds (distance) C4'-P energy: -25.243
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -20.406
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -6.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -118.275139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.275139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.275139 (E_RNA)
where:
Base-Base interactions energy: -44.662
where: short stacking energy: -39.998
Base-Backbone interact. energy: 0.290
local terms energy: -83.903521
where:
bonds (distance) C4'-P energy: -32.740
bonds (distance) P-C4' energy: -25.945
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: 4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -496.000679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.000679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.000679 (E_RNA)
where:
Base-Base interactions energy: -356.189
where: short stacking energy: -147.007
Base-Backbone interact. energy: -1.378
local terms energy: -148.433601
where:
bonds (distance) C4'-P energy: -25.676
bonds (distance) P-C4' energy: -22.395
flat angles C4'-P-C4' energy: -31.670
flat angles P-C4'-P energy: -23.621
tors. eta vs tors. theta energy: -45.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -359.211688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.211688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.211688 (E_RNA)
where:
Base-Base interactions energy: -252.776
where: short stacking energy: -104.757
Base-Backbone interact. energy: 0.898
local terms energy: -117.333554
where:
bonds (distance) C4'-P energy: -23.273
bonds (distance) P-C4' energy: -29.647
flat angles C4'-P-C4' energy: -27.063
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -23.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -363.323620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.323620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.323620 (E_RNA)
where:
Base-Base interactions energy: -243.822
where: short stacking energy: -110.448
Base-Backbone interact. energy: -0.650
local terms energy: -128.851204
where:
bonds (distance) C4'-P energy: -28.681
bonds (distance) P-C4' energy: -22.531
flat angles C4'-P-C4' energy: -27.073
flat angles P-C4'-P energy: -21.149
tors. eta vs tors. theta energy: -29.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -326.917983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.917983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.917983 (E_RNA)
where:
Base-Base interactions energy: -216.238
where: short stacking energy: -97.740
Base-Backbone interact. energy: -0.338
local terms energy: -120.341928
where:
bonds (distance) C4'-P energy: -28.104
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -28.316
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -23.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -293.153670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.153670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.153670 (E_RNA)
where:
Base-Base interactions energy: -191.214
where: short stacking energy: -96.937
Base-Backbone interact. energy: -0.602
local terms energy: -111.338105
where:
bonds (distance) C4'-P energy: -23.460
bonds (distance) P-C4' energy: -26.920
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -21.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -246.948441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.948441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.948441 (E_RNA)
where:
Base-Base interactions energy: -147.620
where: short stacking energy: -75.029
Base-Backbone interact. energy: -0.727
local terms energy: -108.601429
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -31.227
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -21.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -191.865129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.865129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.865129 (E_RNA)
where:
Base-Base interactions energy: -103.144
where: short stacking energy: -69.613
Base-Backbone interact. energy: -0.067
local terms energy: -98.654718
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -27.182
flat angles C4'-P-C4' energy: -27.537
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -136.020877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.020877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.020877 (E_RNA)
where:
Base-Base interactions energy: -63.120
where: short stacking energy: -44.388
Base-Backbone interact. energy: 0.425
local terms energy: -83.326364
where:
bonds (distance) C4'-P energy: -19.085
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -116.862464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.862464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.862464 (E_RNA)
where:
Base-Base interactions energy: -45.617
where: short stacking energy: -40.307
Base-Backbone interact. energy: -2.047
local terms energy: -79.198492
where:
bonds (distance) C4'-P energy: -24.204
bonds (distance) P-C4' energy: -26.435
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -3.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -120.296799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.296799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.296799 (E_RNA)
where:
Base-Base interactions energy: -39.019
where: short stacking energy: -39.019
Base-Backbone interact. energy: -0.228
local terms energy: -91.049802
where:
bonds (distance) C4'-P energy: -22.448
bonds (distance) P-C4' energy: -27.467
flat angles C4'-P-C4' energy: -25.612
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -1.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -502.353101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.353101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.353101 (E_RNA)
where:
Base-Base interactions energy: -352.614
where: short stacking energy: -152.428
Base-Backbone interact. energy: -0.047
local terms energy: -159.692499
where:
bonds (distance) C4'-P energy: -31.673
bonds (distance) P-C4' energy: -30.138
flat angles C4'-P-C4' energy: -31.324
flat angles P-C4'-P energy: -21.750
tors. eta vs tors. theta energy: -44.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -360.369752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.369752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.369752 (E_RNA)
where:
Base-Base interactions energy: -243.102
where: short stacking energy: -111.227
Base-Backbone interact. energy: -0.548
local terms energy: -126.719292
where:
bonds (distance) C4'-P energy: -28.684
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -27.306
flat angles P-C4'-P energy: -16.655
tors. eta vs tors. theta energy: -26.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -357.253368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.253368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.253368 (E_RNA)
where:
Base-Base interactions energy: -235.657
where: short stacking energy: -103.621
Base-Backbone interact. energy: 2.223
local terms energy: -133.818673
where:
bonds (distance) C4'-P energy: -25.935
bonds (distance) P-C4' energy: -27.866
flat angles C4'-P-C4' energy: -26.207
flat angles P-C4'-P energy: -24.228
tors. eta vs tors. theta energy: -29.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -307.581593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.581593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.581593 (E_RNA)
where:
Base-Base interactions energy: -196.797
where: short stacking energy: -93.611
Base-Backbone interact. energy: -0.997
local terms energy: -119.788199
where:
bonds (distance) C4'-P energy: -25.682
bonds (distance) P-C4' energy: -25.951
flat angles C4'-P-C4' energy: -31.278
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: -17.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -308.920130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.920130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.920130 (E_RNA)
where:
Base-Base interactions energy: -205.720
where: short stacking energy: -93.673
Base-Backbone interact. energy: -0.224
local terms energy: -112.975537
where:
bonds (distance) C4'-P energy: -21.717
bonds (distance) P-C4' energy: -27.127
flat angles C4'-P-C4' energy: -24.834
flat angles P-C4'-P energy: -16.733
tors. eta vs tors. theta energy: -22.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -299.863041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.863041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.863041 (E_RNA)
where:
Base-Base interactions energy: -213.837
where: short stacking energy: -95.767
Base-Backbone interact. energy: -0.668
local terms energy: -95.358084
where:
bonds (distance) C4'-P energy: -21.028
bonds (distance) P-C4' energy: -23.375
flat angles C4'-P-C4' energy: -19.892
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -230.640669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.640669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.640669 (E_RNA)
where:
Base-Base interactions energy: -129.097
where: short stacking energy: -80.843
Base-Backbone interact. energy: -0.753
local terms energy: -110.790811
where:
bonds (distance) C4'-P energy: -25.799
bonds (distance) P-C4' energy: -27.562
flat angles C4'-P-C4' energy: -24.372
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: -16.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -134.232005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.232005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.232005 (E_RNA)
where:
Base-Base interactions energy: -43.291
where: short stacking energy: -42.149
Base-Backbone interact. energy: -0.638
local terms energy: -100.302723
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -27.402
flat angles C4'-P-C4' energy: -24.172
flat angles P-C4'-P energy: -16.277
tors. eta vs tors. theta energy: -10.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -128.108428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.108428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.108428 (E_RNA)
where:
Base-Base interactions energy: -58.914
where: short stacking energy: -42.926
Base-Backbone interact. energy: -0.248
local terms energy: -78.946721
where:
bonds (distance) C4'-P energy: -29.284
bonds (distance) P-C4' energy: -20.879
flat angles C4'-P-C4' energy: -23.753
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -0.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -118.452776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.452776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.452776 (E_RNA)
where:
Base-Base interactions energy: -58.282
where: short stacking energy: -44.142
Base-Backbone interact. energy: -0.508
local terms energy: -69.662572
where:
bonds (distance) C4'-P energy: -20.461
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -9.562
tors. eta vs tors. theta energy: -1.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -501.553187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.553187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.553187 (E_RNA)
where:
Base-Base interactions energy: -357.890
where: short stacking energy: -155.530
Base-Backbone interact. energy: 0.186
local terms energy: -153.848878
where:
bonds (distance) C4'-P energy: -24.835
bonds (distance) P-C4' energy: -30.843
flat angles C4'-P-C4' energy: -32.949
flat angles P-C4'-P energy: -20.254
tors. eta vs tors. theta energy: -44.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -361.721542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.721542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.721542 (E_RNA)
where:
Base-Base interactions energy: -250.426
where: short stacking energy: -110.276
Base-Backbone interact. energy: -1.036
local terms energy: -120.259620
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -31.221
flat angles C4'-P-C4' energy: -24.161
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -27.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -369.807943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.807943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.807943 (E_RNA)
where:
Base-Base interactions energy: -255.598
where: short stacking energy: -108.369
Base-Backbone interact. energy: -0.400
local terms energy: -123.809868
where:
bonds (distance) C4'-P energy: -27.484
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -30.060
flat angles P-C4'-P energy: -14.393
tors. eta vs tors. theta energy: -28.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -321.760479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.760479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.760479 (E_RNA)
where:
Base-Base interactions energy: -207.647
where: short stacking energy: -105.082
Base-Backbone interact. energy: -0.122
local terms energy: -123.991811
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -30.313
flat angles P-C4'-P energy: -16.791
tors. eta vs tors. theta energy: -31.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -318.597981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.597981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.597981 (E_RNA)
where:
Base-Base interactions energy: -209.096
where: short stacking energy: -103.474
Base-Backbone interact. energy: -0.083
local terms energy: -119.419378
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -26.401
flat angles C4'-P-C4' energy: -29.521
flat angles P-C4'-P energy: -15.196
tors. eta vs tors. theta energy: -24.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -275.123007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.123007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.123007 (E_RNA)
where:
Base-Base interactions energy: -182.113
where: short stacking energy: -88.401
Base-Backbone interact. energy: 1.729
local terms energy: -104.739125
where:
bonds (distance) C4'-P energy: -27.790
bonds (distance) P-C4' energy: -28.879
flat angles C4'-P-C4' energy: -22.771
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -18.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -262.238277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.238277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.238277 (E_RNA)
where:
Base-Base interactions energy: -158.563
where: short stacking energy: -91.997
Base-Backbone interact. energy: -0.496
local terms energy: -113.179608
where:
bonds (distance) C4'-P energy: -22.032
bonds (distance) P-C4' energy: -30.502
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -21.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -136.930206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.930206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.930206 (E_RNA)
where:
Base-Base interactions energy: -70.489
where: short stacking energy: -61.477
Base-Backbone interact. energy: 0.662
local terms energy: -77.102769
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -4.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -124.865429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.865429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.865429 (E_RNA)
where:
Base-Base interactions energy: -52.171
where: short stacking energy: -51.343
Base-Backbone interact. energy: -0.527
local terms energy: -82.167818
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -23.842
flat angles C4'-P-C4' energy: -25.101
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -2.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -126.849721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.849721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.849721 (E_RNA)
where:
Base-Base interactions energy: -61.032
where: short stacking energy: -41.297
Base-Backbone interact. energy: -1.009
local terms energy: -74.808088
where:
bonds (distance) C4'-P energy: -19.033
bonds (distance) P-C4' energy: -26.700
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -501.578748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.578748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.578748 (E_RNA)
where:
Base-Base interactions energy: -355.403
where: short stacking energy: -153.226
Base-Backbone interact. energy: -0.017
local terms energy: -156.158634
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -25.930
flat angles C4'-P-C4' energy: -32.099
flat angles P-C4'-P energy: -24.578
tors. eta vs tors. theta energy: -44.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -387.370045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.370045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.370045 (E_RNA)
where:
Base-Base interactions energy: -270.795
where: short stacking energy: -113.447
Base-Backbone interact. energy: -0.508
local terms energy: -126.066895
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -31.123
flat angles C4'-P-C4' energy: -30.013
flat angles P-C4'-P energy: -16.251
tors. eta vs tors. theta energy: -31.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -355.990329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.990329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.990329 (E_RNA)
where:
Base-Base interactions energy: -243.700
where: short stacking energy: -114.612
Base-Backbone interact. energy: -0.527
local terms energy: -121.762727
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -24.398
flat angles C4'-P-C4' energy: -28.485
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -30.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -351.761884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.761884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.761884 (E_RNA)
where:
Base-Base interactions energy: -229.802
where: short stacking energy: -118.049
Base-Backbone interact. energy: -0.960
local terms energy: -130.999630
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -26.777
flat angles C4'-P-C4' energy: -30.679
flat angles P-C4'-P energy: -18.720
tors. eta vs tors. theta energy: -37.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -312.068838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.068838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.068838 (E_RNA)
where:
Base-Base interactions energy: -199.977
where: short stacking energy: -101.930
Base-Backbone interact. energy: -0.224
local terms energy: -121.867896
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -28.355
flat angles C4'-P-C4' energy: -26.720
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -27.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -272.422460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.422460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.422460 (E_RNA)
where:
Base-Base interactions energy: -171.093
where: short stacking energy: -88.473
Base-Backbone interact. energy: 1.592
local terms energy: -112.921334
where:
bonds (distance) C4'-P energy: -20.817
bonds (distance) P-C4' energy: -28.234
flat angles C4'-P-C4' energy: -30.355
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -19.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -248.454506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.454506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.454506 (E_RNA)
where:
Base-Base interactions energy: -166.829
where: short stacking energy: -77.021
Base-Backbone interact. energy: -0.243
local terms energy: -91.381985
where:
bonds (distance) C4'-P energy: -18.246
bonds (distance) P-C4' energy: -22.040
flat angles C4'-P-C4' energy: -28.596
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -10.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -148.634507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.634507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.634507 (E_RNA)
where:
Base-Base interactions energy: -76.167
where: short stacking energy: -33.252
Base-Backbone interact. energy: -0.575
local terms energy: -81.892482
where:
bonds (distance) C4'-P energy: -25.019
bonds (distance) P-C4' energy: -24.771
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -0.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -131.999301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.999301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.999301 (E_RNA)
where:
Base-Base interactions energy: -54.816
where: short stacking energy: -51.269
Base-Backbone interact. energy: -0.473
local terms energy: -86.709861
where:
bonds (distance) C4'-P energy: -24.033
bonds (distance) P-C4' energy: -20.156
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -19.159
tors. eta vs tors. theta energy: -2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -129.253733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.253733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.253733 (E_RNA)
where:
Base-Base interactions energy: -63.143
where: short stacking energy: -44.525
Base-Backbone interact. energy: -0.225
local terms energy: -75.886270
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -21.504
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: 1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -490.117299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.117299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.117299 (E_RNA)
where:
Base-Base interactions energy: -345.045
where: short stacking energy: -148.267
Base-Backbone interact. energy: -1.182
local terms energy: -153.890334
where:
bonds (distance) C4'-P energy: -26.317
bonds (distance) P-C4' energy: -25.943
flat angles C4'-P-C4' energy: -31.190
flat angles P-C4'-P energy: -25.813
tors. eta vs tors. theta energy: -44.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -405.318172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.318172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.318172 (E_RNA)
where:
Base-Base interactions energy: -277.475
where: short stacking energy: -114.534
Base-Backbone interact. energy: -0.707
local terms energy: -137.136966
where:
bonds (distance) C4'-P energy: -26.247
bonds (distance) P-C4' energy: -29.603
flat angles C4'-P-C4' energy: -29.279
flat angles P-C4'-P energy: -20.413
tors. eta vs tors. theta energy: -31.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -351.605358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.605358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.605358 (E_RNA)
where:
Base-Base interactions energy: -220.410
where: short stacking energy: -119.757
Base-Backbone interact. energy: -0.248
local terms energy: -140.947800
where:
bonds (distance) C4'-P energy: -25.448
bonds (distance) P-C4' energy: -32.101
flat angles C4'-P-C4' energy: -31.805
flat angles P-C4'-P energy: -19.549
tors. eta vs tors. theta energy: -32.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -342.043217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.043217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.043217 (E_RNA)
where:
Base-Base interactions energy: -237.495
where: short stacking energy: -106.863
Base-Backbone interact. energy: -0.892
local terms energy: -113.656467
where:
bonds (distance) C4'-P energy: -26.006
bonds (distance) P-C4' energy: -24.084
flat angles C4'-P-C4' energy: -25.257
flat angles P-C4'-P energy: -15.440
tors. eta vs tors. theta energy: -22.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -297.929126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.929126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.929126 (E_RNA)
where:
Base-Base interactions energy: -187.830
where: short stacking energy: -102.489
Base-Backbone interact. energy: -0.020
local terms energy: -120.079627
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -25.630
flat angles C4'-P-C4' energy: -26.339
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -34.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -233.846645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.846645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.846645 (E_RNA)
where:
Base-Base interactions energy: -137.446
where: short stacking energy: -72.359
Base-Backbone interact. energy: -0.497
local terms energy: -105.902957
where:
bonds (distance) C4'-P energy: -24.547
bonds (distance) P-C4' energy: -20.429
flat angles C4'-P-C4' energy: -27.541
flat angles P-C4'-P energy: -17.641
tors. eta vs tors. theta energy: -15.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -260.148652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.148652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.148652 (E_RNA)
where:
Base-Base interactions energy: -173.487
where: short stacking energy: -72.211
Base-Backbone interact. energy: -0.657
local terms energy: -96.004401
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -25.039
flat angles P-C4'-P energy: -14.464
tors. eta vs tors. theta energy: -12.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -126.473987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.473987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.473987 (E_RNA)
where:
Base-Base interactions energy: -50.363
where: short stacking energy: -43.418
Base-Backbone interact. energy: -0.931
local terms energy: -85.179641
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -28.654
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -133.027914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.027914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.027914 (E_RNA)
where:
Base-Base interactions energy: -60.799
where: short stacking energy: -52.083
Base-Backbone interact. energy: 0.286
local terms energy: -82.515516
where:
bonds (distance) C4'-P energy: -20.743
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -23.979
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -1.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -130.062221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.062221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.062221 (E_RNA)
where:
Base-Base interactions energy: -58.850
where: short stacking energy: -37.563
Base-Backbone interact. energy: -0.464
local terms energy: -80.748025
where:
bonds (distance) C4'-P energy: -20.545
bonds (distance) P-C4' energy: -30.158
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -0.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -497.982281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.982281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.982281 (E_RNA)
where:
Base-Base interactions energy: -355.809
where: short stacking energy: -148.855
Base-Backbone interact. energy: -0.067
local terms energy: -152.107009
where:
bonds (distance) C4'-P energy: -27.552
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -29.740
flat angles P-C4'-P energy: -23.589
tors. eta vs tors. theta energy: -43.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -404.115827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.115827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.115827 (E_RNA)
where:
Base-Base interactions energy: -286.046
where: short stacking energy: -114.479
Base-Backbone interact. energy: -1.172
local terms energy: -126.897457
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -25.224
flat angles C4'-P-C4' energy: -26.820
flat angles P-C4'-P energy: -18.927
tors. eta vs tors. theta energy: -32.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -341.797589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.797589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.797589 (E_RNA)
where:
Base-Base interactions energy: -211.939
where: short stacking energy: -104.591
Base-Backbone interact. energy: -0.400
local terms energy: -139.459144
where:
bonds (distance) C4'-P energy: -26.009
bonds (distance) P-C4' energy: -31.609
flat angles C4'-P-C4' energy: -32.165
flat angles P-C4'-P energy: -20.235
tors. eta vs tors. theta energy: -29.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -333.950075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.950075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.950075 (E_RNA)
where:
Base-Base interactions energy: -206.643
where: short stacking energy: -93.567
Base-Backbone interact. energy: -0.033
local terms energy: -137.273711
where:
bonds (distance) C4'-P energy: -28.191
bonds (distance) P-C4' energy: -31.768
flat angles C4'-P-C4' energy: -30.509
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: -25.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -380.224428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.224428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.224428 (E_RNA)
where:
Base-Base interactions energy: -260.540
where: short stacking energy: -107.492
Base-Backbone interact. energy: 0.023
local terms energy: -129.707353
where:
bonds (distance) C4'-P energy: -29.811
bonds (distance) P-C4' energy: -29.841
flat angles C4'-P-C4' energy: -24.080
flat angles P-C4'-P energy: -16.921
tors. eta vs tors. theta energy: -29.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -260.526482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.526482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.526482 (E_RNA)
where:
Base-Base interactions energy: -153.408
where: short stacking energy: -80.613
Base-Backbone interact. energy: -1.469
local terms energy: -115.649580
where:
bonds (distance) C4'-P energy: -22.970
bonds (distance) P-C4' energy: -24.277
flat angles C4'-P-C4' energy: -28.409
flat angles P-C4'-P energy: -18.621
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -269.283468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.283468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.283468 (E_RNA)
where:
Base-Base interactions energy: -175.426
where: short stacking energy: -82.271
Base-Backbone interact. energy: -0.170
local terms energy: -103.688088
where:
bonds (distance) C4'-P energy: -24.258
bonds (distance) P-C4' energy: -25.767
flat angles C4'-P-C4' energy: -21.946
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -164.194479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.194479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.194479 (E_RNA)
where:
Base-Base interactions energy: -73.281
where: short stacking energy: -53.294
Base-Backbone interact. energy: 3.798
local terms energy: -104.711259
where:
bonds (distance) C4'-P energy: -25.183
bonds (distance) P-C4' energy: -27.659
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -17.466
tors. eta vs tors. theta energy: -13.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -125.021116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.021116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.021116 (E_RNA)
where:
Base-Base interactions energy: -52.762
where: short stacking energy: -46.031
Base-Backbone interact. energy: 2.153
local terms energy: -84.411943
where:
bonds (distance) C4'-P energy: -24.999
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -18.117
tors. eta vs tors. theta energy: -3.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -111.702350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.702350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.702350 (E_RNA)
where:
Base-Base interactions energy: -40.678
where: short stacking energy: -39.325
Base-Backbone interact. energy: 0.137
local terms energy: -81.161662
where:
bonds (distance) C4'-P energy: -22.839
bonds (distance) P-C4' energy: -27.539
flat angles C4'-P-C4' energy: -20.785
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: 0.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -498.457111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.457111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.457111 (E_RNA)
where:
Base-Base interactions energy: -350.531
where: short stacking energy: -145.632
Base-Backbone interact. energy: -0.793
local terms energy: -157.132821
where:
bonds (distance) C4'-P energy: -29.757
bonds (distance) P-C4' energy: -29.506
flat angles C4'-P-C4' energy: -32.473
flat angles P-C4'-P energy: -19.456
tors. eta vs tors. theta energy: -45.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -411.887782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.887782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.887782 (E_RNA)
where:
Base-Base interactions energy: -293.370
where: short stacking energy: -115.683
Base-Backbone interact. energy: -0.985
local terms energy: -127.532578
where:
bonds (distance) C4'-P energy: -31.869
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -24.202
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -30.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -342.870485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.870485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.870485 (E_RNA)
where:
Base-Base interactions energy: -220.525
where: short stacking energy: -119.273
Base-Backbone interact. energy: -0.083
local terms energy: -132.261849
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -25.546
flat angles C4'-P-C4' energy: -27.528
flat angles P-C4'-P energy: -21.064
tors. eta vs tors. theta energy: -32.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -328.074056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.074056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.074056 (E_RNA)
where:
Base-Base interactions energy: -217.368
where: short stacking energy: -108.367
Base-Backbone interact. energy: 0.370
local terms energy: -121.076446
where:
bonds (distance) C4'-P energy: -26.720
bonds (distance) P-C4' energy: -26.340
flat angles C4'-P-C4' energy: -24.846
flat angles P-C4'-P energy: -17.352
tors. eta vs tors. theta energy: -25.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -370.779516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.779516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.779516 (E_RNA)
where:
Base-Base interactions energy: -252.467
where: short stacking energy: -113.544
Base-Backbone interact. energy: -1.342
local terms energy: -126.971223
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -25.015
flat angles C4'-P-C4' energy: -32.583
flat angles P-C4'-P energy: -18.658
tors. eta vs tors. theta energy: -31.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -278.768943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.768943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.768943 (E_RNA)
where:
Base-Base interactions energy: -163.761
where: short stacking energy: -96.525
Base-Backbone interact. energy: -0.118
local terms energy: -124.890498
where:
bonds (distance) C4'-P energy: -22.342
bonds (distance) P-C4' energy: -29.731
flat angles C4'-P-C4' energy: -25.120
flat angles P-C4'-P energy: -21.093
tors. eta vs tors. theta energy: -26.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -241.323242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.323242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.323242 (E_RNA)
where:
Base-Base interactions energy: -145.926
where: short stacking energy: -77.565
Base-Backbone interact. energy: -0.888
local terms energy: -104.509649
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -26.930
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -19.749
tors. eta vs tors. theta energy: -22.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -142.486179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.486179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.486179 (E_RNA)
where:
Base-Base interactions energy: -68.031
where: short stacking energy: -49.016
Base-Backbone interact. energy: -0.547
local terms energy: -83.908815
where:
bonds (distance) C4'-P energy: -23.672
bonds (distance) P-C4' energy: -23.669
flat angles C4'-P-C4' energy: -28.821
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -2.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -112.593970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.593970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.593970 (E_RNA)
where:
Base-Base interactions energy: -38.850
where: short stacking energy: -34.625
Base-Backbone interact. energy: -0.252
local terms energy: -83.492471
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -27.095
flat angles C4'-P-C4' energy: -19.905
flat angles P-C4'-P energy: -15.065
tors. eta vs tors. theta energy: 0.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -116.116414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.116414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.116414 (E_RNA)
where:
Base-Base interactions energy: -46.312
where: short stacking energy: -32.860
Base-Backbone interact. energy: -0.087
local terms energy: -79.717083
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -26.980
flat angles C4'-P-C4' energy: -18.618
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -499.582665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.582665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.582665 (E_RNA)
where:
Base-Base interactions energy: -361.287
where: short stacking energy: -154.115
Base-Backbone interact. energy: -0.038
local terms energy: -148.257091
where:
bonds (distance) C4'-P energy: -24.462
bonds (distance) P-C4' energy: -28.279
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -23.309
tors. eta vs tors. theta energy: -44.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -351.915951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.915951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.915951 (E_RNA)
where:
Base-Base interactions energy: -229.232
where: short stacking energy: -118.043
Base-Backbone interact. energy: -0.030
local terms energy: -132.653745
where:
bonds (distance) C4'-P energy: -27.940
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -27.485
flat angles P-C4'-P energy: -21.015
tors. eta vs tors. theta energy: -31.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -401.952210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.952210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.952210 (E_RNA)
where:
Base-Base interactions energy: -284.509
where: short stacking energy: -113.476
Base-Backbone interact. energy: -0.655
local terms energy: -126.787845
where:
bonds (distance) C4'-P energy: -25.041
bonds (distance) P-C4' energy: -30.944
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -29.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -339.643310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.643310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.643310 (E_RNA)
where:
Base-Base interactions energy: -230.735
where: short stacking energy: -103.320
Base-Backbone interact. energy: -0.807
local terms energy: -118.101992
where:
bonds (distance) C4'-P energy: -21.909
bonds (distance) P-C4' energy: -26.472
flat angles C4'-P-C4' energy: -23.386
flat angles P-C4'-P energy: -17.241
tors. eta vs tors. theta energy: -29.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -328.610304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.610304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.610304 (E_RNA)
where:
Base-Base interactions energy: -219.322
where: short stacking energy: -97.847
Base-Backbone interact. energy: -1.588
local terms energy: -117.700249
where:
bonds (distance) C4'-P energy: -22.046
bonds (distance) P-C4' energy: -28.469
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -19.491
tors. eta vs tors. theta energy: -26.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -250.061156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.061156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.061156 (E_RNA)
where:
Base-Base interactions energy: -140.594
where: short stacking energy: -77.288
Base-Backbone interact. energy: -0.005
local terms energy: -119.461693
where:
bonds (distance) C4'-P energy: -24.128
bonds (distance) P-C4' energy: -32.546
flat angles C4'-P-C4' energy: -24.048
flat angles P-C4'-P energy: -18.945
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -244.612946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.612946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.612946 (E_RNA)
where:
Base-Base interactions energy: -163.268
where: short stacking energy: -66.622
Base-Backbone interact. energy: 0.791
local terms energy: -92.135497
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -20.702
flat angles C4'-P-C4' energy: -20.664
flat angles P-C4'-P energy: -15.896
tors. eta vs tors. theta energy: -16.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -135.549808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.549808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.549808 (E_RNA)
where:
Base-Base interactions energy: -58.755
where: short stacking energy: -47.718
Base-Backbone interact. energy: 0.739
local terms energy: -87.533504
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -23.240
flat angles P-C4'-P energy: -19.435
tors. eta vs tors. theta energy: -4.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -181.395584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.395584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.395584 (E_RNA)
where:
Base-Base interactions energy: -107.588
where: short stacking energy: -56.147
Base-Backbone interact. energy: -0.321
local terms energy: -83.486310
where:
bonds (distance) C4'-P energy: -9.031
bonds (distance) P-C4' energy: -22.381
flat angles C4'-P-C4' energy: -26.295
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -10.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -122.533492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.533492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.533492 (E_RNA)
where:
Base-Base interactions energy: -46.959
where: short stacking energy: -33.738
Base-Backbone interact. energy: -0.648
local terms energy: -84.926061
where:
bonds (distance) C4'-P energy: -29.399
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -496.081571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.081571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.081571 (E_RNA)
where:
Base-Base interactions energy: -351.248
where: short stacking energy: -152.428
Base-Backbone interact. energy: -0.051
local terms energy: -154.782691
where:
bonds (distance) C4'-P energy: -29.603
bonds (distance) P-C4' energy: -29.653
flat angles C4'-P-C4' energy: -28.833
flat angles P-C4'-P energy: -22.449
tors. eta vs tors. theta energy: -44.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -336.995974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.995974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.995974 (E_RNA)
where:
Base-Base interactions energy: -220.583
where: short stacking energy: -116.305
Base-Backbone interact. energy: -0.412
local terms energy: -126.000885
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -28.005
flat angles C4'-P-C4' energy: -23.703
flat angles P-C4'-P energy: -17.505
tors. eta vs tors. theta energy: -31.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -396.050069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.050069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.050069 (E_RNA)
where:
Base-Base interactions energy: -267.489
where: short stacking energy: -109.370
Base-Backbone interact. energy: -0.222
local terms energy: -138.338818
where:
bonds (distance) C4'-P energy: -25.832
bonds (distance) P-C4' energy: -26.699
flat angles C4'-P-C4' energy: -29.344
flat angles P-C4'-P energy: -25.861
tors. eta vs tors. theta energy: -30.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -349.721820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.721820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.721820 (E_RNA)
where:
Base-Base interactions energy: -249.048
where: short stacking energy: -104.897
Base-Backbone interact. energy: 0.151
local terms energy: -110.825365
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -29.698
flat angles C4'-P-C4' energy: -21.441
flat angles P-C4'-P energy: -12.374
tors. eta vs tors. theta energy: -30.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -330.734813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.734813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.734813 (E_RNA)
where:
Base-Base interactions energy: -230.481
where: short stacking energy: -100.826
Base-Backbone interact. energy: -1.043
local terms energy: -109.210773
where:
bonds (distance) C4'-P energy: -20.298
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -22.021
flat angles P-C4'-P energy: -20.029
tors. eta vs tors. theta energy: -28.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -269.790443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.790443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.790443 (E_RNA)
where:
Base-Base interactions energy: -161.534
where: short stacking energy: -89.662
Base-Backbone interact. energy: 1.733
local terms energy: -119.988891
where:
bonds (distance) C4'-P energy: -20.081
bonds (distance) P-C4' energy: -32.911
flat angles C4'-P-C4' energy: -29.540
flat angles P-C4'-P energy: -17.971
tors. eta vs tors. theta energy: -19.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -231.516747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.516747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.516747 (E_RNA)
where:
Base-Base interactions energy: -127.153
where: short stacking energy: -73.193
Base-Backbone interact. energy: -0.133
local terms energy: -114.230549
where:
bonds (distance) C4'-P energy: -25.886
bonds (distance) P-C4' energy: -32.176
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -16.442
tors. eta vs tors. theta energy: -19.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -137.814051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.814051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.814051 (E_RNA)
where:
Base-Base interactions energy: -68.919
where: short stacking energy: -56.253
Base-Backbone interact. energy: 0.285
local terms energy: -79.180485
where:
bonds (distance) C4'-P energy: -20.689
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -0.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -206.730394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.730394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.730394 (E_RNA)
where:
Base-Base interactions energy: -126.020
where: short stacking energy: -72.344
Base-Backbone interact. energy: -0.269
local terms energy: -90.441453
where:
bonds (distance) C4'-P energy: -25.099
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -21.220
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -12.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -121.239816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.239816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.239816 (E_RNA)
where:
Base-Base interactions energy: -39.324
where: short stacking energy: -37.448
Base-Backbone interact. energy: -0.274
local terms energy: -91.642358
where:
bonds (distance) C4'-P energy: -24.291
bonds (distance) P-C4' energy: -22.776
flat angles C4'-P-C4' energy: -25.426
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -4.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -500.900012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.900012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.900012 (E_RNA)
where:
Base-Base interactions energy: -359.464
where: short stacking energy: -149.485
Base-Backbone interact. energy: -0.157
local terms energy: -151.278278
where:
bonds (distance) C4'-P energy: -30.144
bonds (distance) P-C4' energy: -29.459
flat angles C4'-P-C4' energy: -25.281
flat angles P-C4'-P energy: -20.794
tors. eta vs tors. theta energy: -45.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -396.659612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.659612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.659612 (E_RNA)
where:
Base-Base interactions energy: -272.186
where: short stacking energy: -121.661
Base-Backbone interact. energy: -0.279
local terms energy: -134.194482
where:
bonds (distance) C4'-P energy: -26.278
bonds (distance) P-C4' energy: -23.653
flat angles C4'-P-C4' energy: -30.523
flat angles P-C4'-P energy: -22.257
tors. eta vs tors. theta energy: -31.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -330.195898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.195898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.195898 (E_RNA)
where:
Base-Base interactions energy: -201.228
where: short stacking energy: -99.505
Base-Backbone interact. energy: -0.196
local terms energy: -138.772120
where:
bonds (distance) C4'-P energy: -28.575
bonds (distance) P-C4' energy: -30.718
flat angles C4'-P-C4' energy: -29.412
flat angles P-C4'-P energy: -17.521
tors. eta vs tors. theta energy: -32.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -344.153019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.153019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.153019 (E_RNA)
where:
Base-Base interactions energy: -237.700
where: short stacking energy: -112.401
Base-Backbone interact. energy: -0.426
local terms energy: -116.026700
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -25.389
flat angles C4'-P-C4' energy: -28.467
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -26.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -364.173949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.173949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.173949 (E_RNA)
where:
Base-Base interactions energy: -255.363
where: short stacking energy: -113.426
Base-Backbone interact. energy: 1.781
local terms energy: -120.592329
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -27.730
flat angles C4'-P-C4' energy: -26.654
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -24.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -299.747783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.747783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.747783 (E_RNA)
where:
Base-Base interactions energy: -199.166
where: short stacking energy: -92.970
Base-Backbone interact. energy: -1.206
local terms energy: -109.375773
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -26.795
flat angles C4'-P-C4' energy: -22.646
flat angles P-C4'-P energy: -24.239
tors. eta vs tors. theta energy: -18.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -239.382678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.382678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.382678 (E_RNA)
where:
Base-Base interactions energy: -142.597
where: short stacking energy: -82.266
Base-Backbone interact. energy: 0.370
local terms energy: -107.155053
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -25.900
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -20.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -232.190703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.190703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.190703 (E_RNA)
where:
Base-Base interactions energy: -146.305
where: short stacking energy: -87.129
Base-Backbone interact. energy: -0.452
local terms energy: -95.433286
where:
bonds (distance) C4'-P energy: -23.197
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -26.458
flat angles P-C4'-P energy: -6.983
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -122.710662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.710662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.710662 (E_RNA)
where:
Base-Base interactions energy: -50.507
where: short stacking energy: -44.063
Base-Backbone interact. energy: -0.139
local terms energy: -82.064897
where:
bonds (distance) C4'-P energy: -23.487
bonds (distance) P-C4' energy: -24.620
flat angles C4'-P-C4' energy: -24.953
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -0.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -118.239839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.239839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.239839 (E_RNA)
where:
Base-Base interactions energy: -50.466
where: short stacking energy: -44.382
Base-Backbone interact. energy: -0.060
local terms energy: -77.713463
where:
bonds (distance) C4'-P energy: -22.656
bonds (distance) P-C4' energy: -26.659
flat angles C4'-P-C4' energy: -14.137
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -5.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -494.695957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.695957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.695957 (E_RNA)
where:
Base-Base interactions energy: -354.109
where: short stacking energy: -157.377
Base-Backbone interact. energy: -0.332
local terms energy: -150.254887
where:
bonds (distance) C4'-P energy: -23.736
bonds (distance) P-C4' energy: -28.828
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -48.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -385.179483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.179483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.179483 (E_RNA)
where:
Base-Base interactions energy: -272.704
where: short stacking energy: -106.516
Base-Backbone interact. energy: -1.025
local terms energy: -121.449933
where:
bonds (distance) C4'-P energy: -25.370
bonds (distance) P-C4' energy: -18.987
flat angles C4'-P-C4' energy: -26.394
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: -26.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -361.093893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.093893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.093893 (E_RNA)
where:
Base-Base interactions energy: -247.980
where: short stacking energy: -122.085
Base-Backbone interact. energy: 0.868
local terms energy: -123.982197
where:
bonds (distance) C4'-P energy: -29.901
bonds (distance) P-C4' energy: -22.999
flat angles C4'-P-C4' energy: -22.600
flat angles P-C4'-P energy: -19.237
tors. eta vs tors. theta energy: -29.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -323.367645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.367645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.367645 (E_RNA)
where:
Base-Base interactions energy: -214.751
where: short stacking energy: -98.050
Base-Backbone interact. energy: -0.607
local terms energy: -118.008810
where:
bonds (distance) C4'-P energy: -26.205
bonds (distance) P-C4' energy: -23.562
flat angles C4'-P-C4' energy: -25.625
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -27.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -318.088192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.088192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.088192 (E_RNA)
where:
Base-Base interactions energy: -201.996
where: short stacking energy: -100.835
Base-Backbone interact. energy: -0.996
local terms energy: -125.095990
where:
bonds (distance) C4'-P energy: -21.761
bonds (distance) P-C4' energy: -24.809
flat angles C4'-P-C4' energy: -28.661
flat angles P-C4'-P energy: -19.206
tors. eta vs tors. theta energy: -30.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -280.939116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.939116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.939116 (E_RNA)
where:
Base-Base interactions energy: -188.350
where: short stacking energy: -71.132
Base-Backbone interact. energy: -0.585
local terms energy: -102.003778
where:
bonds (distance) C4'-P energy: -20.797
bonds (distance) P-C4' energy: -22.927
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -21.268
tors. eta vs tors. theta energy: -18.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -241.561139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.561139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.561139 (E_RNA)
where:
Base-Base interactions energy: -149.151
where: short stacking energy: -65.171
Base-Backbone interact. energy: -0.489
local terms energy: -101.920615
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -29.714
flat angles C4'-P-C4' energy: -21.202
flat angles P-C4'-P energy: -15.562
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -222.257416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.257416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.257416 (E_RNA)
where:
Base-Base interactions energy: -123.486
where: short stacking energy: -68.822
Base-Backbone interact. energy: -0.095
local terms energy: -108.676681
where:
bonds (distance) C4'-P energy: -30.948
bonds (distance) P-C4' energy: -26.172
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -18.864
tors. eta vs tors. theta energy: -15.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -132.129490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.129490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.129490 (E_RNA)
where:
Base-Base interactions energy: -67.020
where: short stacking energy: -38.555
Base-Backbone interact. energy: -1.732
local terms energy: -73.377517
where:
bonds (distance) C4'-P energy: -21.699
bonds (distance) P-C4' energy: -28.567
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: 1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -144.572915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.572915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.572915 (E_RNA)
where:
Base-Base interactions energy: -78.888
where: short stacking energy: -52.796
Base-Backbone interact. energy: -0.447
local terms energy: -75.237467
where:
bonds (distance) C4'-P energy: -23.562
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -13.019
flat angles P-C4'-P energy: -16.863
tors. eta vs tors. theta energy: -2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -496.917366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.917366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.917366 (E_RNA)
where:
Base-Base interactions energy: -352.176
where: short stacking energy: -147.596
Base-Backbone interact. energy: -0.074
local terms energy: -154.667056
where:
bonds (distance) C4'-P energy: -24.870
bonds (distance) P-C4' energy: -27.896
flat angles C4'-P-C4' energy: -30.962
flat angles P-C4'-P energy: -23.791
tors. eta vs tors. theta energy: -47.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -407.046151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.046151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.046151 (E_RNA)
where:
Base-Base interactions energy: -287.029
where: short stacking energy: -118.133
Base-Backbone interact. energy: -0.200
local terms energy: -129.817070
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -25.448
flat angles C4'-P-C4' energy: -28.532
flat angles P-C4'-P energy: -22.776
tors. eta vs tors. theta energy: -31.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -381.263541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.263541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.263541 (E_RNA)
where:
Base-Base interactions energy: -251.503
where: short stacking energy: -130.631
Base-Backbone interact. energy: -0.483
local terms energy: -139.277940
where:
bonds (distance) C4'-P energy: -28.061
bonds (distance) P-C4' energy: -25.167
flat angles C4'-P-C4' energy: -27.862
flat angles P-C4'-P energy: -22.603
tors. eta vs tors. theta energy: -35.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -351.228924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.228924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.228924 (E_RNA)
where:
Base-Base interactions energy: -227.708
where: short stacking energy: -111.610
Base-Backbone interact. energy: -1.116
local terms energy: -132.405294
where:
bonds (distance) C4'-P energy: -30.024
bonds (distance) P-C4' energy: -24.310
flat angles C4'-P-C4' energy: -27.496
flat angles P-C4'-P energy: -18.322
tors. eta vs tors. theta energy: -32.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -308.173009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.173009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.173009 (E_RNA)
where:
Base-Base interactions energy: -204.718
where: short stacking energy: -102.965
Base-Backbone interact. energy: 0.284
local terms energy: -113.738850
where:
bonds (distance) C4'-P energy: -21.378
bonds (distance) P-C4' energy: -24.282
flat angles C4'-P-C4' energy: -21.656
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -29.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -244.948337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.948337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.948337 (E_RNA)
where:
Base-Base interactions energy: -159.691
where: short stacking energy: -85.777
Base-Backbone interact. energy: -0.409
local terms energy: -94.848815
where:
bonds (distance) C4'-P energy: -19.886
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -24.197
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -17.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -251.973680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.973680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.973680 (E_RNA)
where:
Base-Base interactions energy: -145.948
where: short stacking energy: -65.331
Base-Backbone interact. energy: -0.236
local terms energy: -115.790027
where:
bonds (distance) C4'-P energy: -27.051
bonds (distance) P-C4' energy: -29.392
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -14.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -213.360552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.360552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.360552 (E_RNA)
where:
Base-Base interactions energy: -123.611
where: short stacking energy: -65.994
Base-Backbone interact. energy: 0.485
local terms energy: -100.234319
where:
bonds (distance) C4'-P energy: -28.977
bonds (distance) P-C4' energy: -21.463
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -16.849
tors. eta vs tors. theta energy: -11.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -135.553471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.553471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.553471 (E_RNA)
where:
Base-Base interactions energy: -54.983
where: short stacking energy: -46.148
Base-Backbone interact. energy: -0.199
local terms energy: -90.371443
where:
bonds (distance) C4'-P energy: -22.062
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -27.932
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -6.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -115.312979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.312979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.312979 (E_RNA)
where:
Base-Base interactions energy: -36.642
where: short stacking energy: -34.064
Base-Backbone interact. energy: 1.036
local terms energy: -89.706965
where:
bonds (distance) C4'-P energy: -25.263
bonds (distance) P-C4' energy: -24.584
flat angles C4'-P-C4' energy: -20.460
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -490.262835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.262835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.262835 (E_RNA)
where:
Base-Base interactions energy: -349.154
where: short stacking energy: -151.649
Base-Backbone interact. energy: -0.005
local terms energy: -151.104085
where:
bonds (distance) C4'-P energy: -22.794
bonds (distance) P-C4' energy: -28.343
flat angles C4'-P-C4' energy: -32.549
flat angles P-C4'-P energy: -22.336
tors. eta vs tors. theta energy: -45.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -394.779306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.779306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.779306 (E_RNA)
where:
Base-Base interactions energy: -270.783
where: short stacking energy: -114.907
Base-Backbone interact. energy: -0.418
local terms energy: -133.578142
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -28.133
flat angles C4'-P-C4' energy: -30.444
flat angles P-C4'-P energy: -20.147
tors. eta vs tors. theta energy: -31.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -379.910271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.910271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.910271 (E_RNA)
where:
Base-Base interactions energy: -259.127
where: short stacking energy: -112.729
Base-Backbone interact. energy: -0.251
local terms energy: -130.532073
where:
bonds (distance) C4'-P energy: -27.992
bonds (distance) P-C4' energy: -26.233
flat angles C4'-P-C4' energy: -25.402
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -34.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -344.804129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.804129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.804129 (E_RNA)
where:
Base-Base interactions energy: -231.685
where: short stacking energy: -102.821
Base-Backbone interact. energy: -0.089
local terms energy: -123.030854
where:
bonds (distance) C4'-P energy: -24.578
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -31.451
flat angles P-C4'-P energy: -17.007
tors. eta vs tors. theta energy: -23.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -257.712372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.712372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.712372 (E_RNA)
where:
Base-Base interactions energy: -166.696
where: short stacking energy: -80.956
Base-Backbone interact. energy: 1.100
local terms energy: -102.116140
where:
bonds (distance) C4'-P energy: -24.501
bonds (distance) P-C4' energy: -23.498
flat angles C4'-P-C4' energy: -23.832
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -276.659532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.659532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.659532 (E_RNA)
where:
Base-Base interactions energy: -169.268
where: short stacking energy: -96.972
Base-Backbone interact. energy: 0.800
local terms energy: -118.191632
where:
bonds (distance) C4'-P energy: -30.095
bonds (distance) P-C4' energy: -27.041
flat angles C4'-P-C4' energy: -23.284
flat angles P-C4'-P energy: -15.914
tors. eta vs tors. theta energy: -21.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -276.546168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.546168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.546168 (E_RNA)
where:
Base-Base interactions energy: -179.980
where: short stacking energy: -91.508
Base-Backbone interact. energy: 0.239
local terms energy: -106.804574
where:
bonds (distance) C4'-P energy: -21.021
bonds (distance) P-C4' energy: -21.854
flat angles C4'-P-C4' energy: -25.234
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -23.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -230.699767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.699767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.699767 (E_RNA)
where:
Base-Base interactions energy: -138.468
where: short stacking energy: -76.367
Base-Backbone interact. energy: 1.862
local terms energy: -104.093958
where:
bonds (distance) C4'-P energy: -23.803
bonds (distance) P-C4' energy: -22.283
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -18.593
tors. eta vs tors. theta energy: -18.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -129.453592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.453592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.453592 (E_RNA)
where:
Base-Base interactions energy: -56.835
where: short stacking energy: -44.404
Base-Backbone interact. energy: -2.116
local terms energy: -80.503200
where:
bonds (distance) C4'-P energy: -26.100
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: 5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -140.370145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.370145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.370145 (E_RNA)
where:
Base-Base interactions energy: -60.675
where: short stacking energy: -41.597
Base-Backbone interact. energy: 0.395
local terms energy: -90.090679
where:
bonds (distance) C4'-P energy: -26.912
bonds (distance) P-C4' energy: -23.386
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -497.100677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.100677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.100677 (E_RNA)
where:
Base-Base interactions energy: -350.275
where: short stacking energy: -143.743
Base-Backbone interact. energy: -0.103
local terms energy: -156.722464
where:
bonds (distance) C4'-P energy: -26.852
bonds (distance) P-C4' energy: -28.258
flat angles C4'-P-C4' energy: -31.647
flat angles P-C4'-P energy: -23.103
tors. eta vs tors. theta energy: -46.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -407.139995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.139995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.139995 (E_RNA)
where:
Base-Base interactions energy: -273.297
where: short stacking energy: -105.435
Base-Backbone interact. energy: -0.330
local terms energy: -143.513005
where:
bonds (distance) C4'-P energy: -24.498
bonds (distance) P-C4' energy: -31.303
flat angles C4'-P-C4' energy: -31.964
flat angles P-C4'-P energy: -21.177
tors. eta vs tors. theta energy: -34.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -424.880444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.880444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.880444 (E_RNA)
where:
Base-Base interactions energy: -300.302
where: short stacking energy: -131.756
Base-Backbone interact. energy: -0.157
local terms energy: -134.422008
where:
bonds (distance) C4'-P energy: -24.353
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -30.472
flat angles P-C4'-P energy: -19.629
tors. eta vs tors. theta energy: -38.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -345.996896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.996896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.996896 (E_RNA)
where:
Base-Base interactions energy: -236.568
where: short stacking energy: -119.315
Base-Backbone interact. energy: -0.233
local terms energy: -119.195825
where:
bonds (distance) C4'-P energy: -22.653
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -19.001
tors. eta vs tors. theta energy: -37.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -260.593928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.593928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.593928 (E_RNA)
where:
Base-Base interactions energy: -157.693
where: short stacking energy: -79.109
Base-Backbone interact. energy: 0.417
local terms energy: -113.318441
where:
bonds (distance) C4'-P energy: -25.654
bonds (distance) P-C4' energy: -24.194
flat angles C4'-P-C4' energy: -25.457
flat angles P-C4'-P energy: -17.855
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -245.157115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.157115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.157115 (E_RNA)
where:
Base-Base interactions energy: -130.024
where: short stacking energy: -72.738
Base-Backbone interact. energy: -0.322
local terms energy: -124.810865
where:
bonds (distance) C4'-P energy: -28.933
bonds (distance) P-C4' energy: -29.856
flat angles C4'-P-C4' energy: -22.080
flat angles P-C4'-P energy: -23.585
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -238.848234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.848234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.848234 (E_RNA)
where:
Base-Base interactions energy: -136.942
where: short stacking energy: -79.400
Base-Backbone interact. energy: -0.163
local terms energy: -111.743678
where:
bonds (distance) C4'-P energy: -28.995
bonds (distance) P-C4' energy: -27.382
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -20.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -209.658580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.658580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.658580 (E_RNA)
where:
Base-Base interactions energy: -123.886
where: short stacking energy: -59.945
Base-Backbone interact. energy: -0.057
local terms energy: -95.715354
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -21.833
flat angles C4'-P-C4' energy: -23.819
flat angles P-C4'-P energy: -12.880
tors. eta vs tors. theta energy: -12.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -155.417632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.417632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.417632 (E_RNA)
where:
Base-Base interactions energy: -64.297
where: short stacking energy: -51.265
Base-Backbone interact. energy: -0.350
local terms energy: -100.770795
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -23.508
flat angles C4'-P-C4' energy: -25.017
flat angles P-C4'-P energy: -21.503
tors. eta vs tors. theta energy: -10.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -175.646658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.646658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.646658 (E_RNA)
where:
Base-Base interactions energy: -88.697
where: short stacking energy: -48.470
Base-Backbone interact. energy: -0.525
local terms energy: -96.424548
where:
bonds (distance) C4'-P energy: -24.111
bonds (distance) P-C4' energy: -30.180
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -486.443974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.443974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.443974 (E_RNA)
where:
Base-Base interactions energy: -349.010
where: short stacking energy: -149.249
Base-Backbone interact. energy: -0.012
local terms energy: -147.421179
where:
bonds (distance) C4'-P energy: -23.346
bonds (distance) P-C4' energy: -25.772
flat angles C4'-P-C4' energy: -31.244
flat angles P-C4'-P energy: -22.507
tors. eta vs tors. theta energy: -44.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -412.546359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.546359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.546359 (E_RNA)
where:
Base-Base interactions energy: -282.469
where: short stacking energy: -123.426
Base-Backbone interact. energy: -0.818
local terms energy: -139.260230
where:
bonds (distance) C4'-P energy: -23.769
bonds (distance) P-C4' energy: -27.427
flat angles C4'-P-C4' energy: -33.558
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -33.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -433.739520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.739520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.739520 (E_RNA)
where:
Base-Base interactions energy: -306.041
where: short stacking energy: -128.406
Base-Backbone interact. energy: -1.040
local terms energy: -136.658373
where:
bonds (distance) C4'-P energy: -25.356
bonds (distance) P-C4' energy: -24.577
flat angles C4'-P-C4' energy: -32.961
flat angles P-C4'-P energy: -18.112
tors. eta vs tors. theta energy: -35.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -333.743099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.743099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.743099 (E_RNA)
where:
Base-Base interactions energy: -216.757
where: short stacking energy: -107.353
Base-Backbone interact. energy: -0.026
local terms energy: -126.960642
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -26.584
flat angles C4'-P-C4' energy: -31.712
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -34.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -275.899172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.899172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.899172 (E_RNA)
where:
Base-Base interactions energy: -178.511
where: short stacking energy: -94.622
Base-Backbone interact. energy: -0.944
local terms energy: -106.444276
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -30.033
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -18.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -249.187429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.187429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.187429 (E_RNA)
where:
Base-Base interactions energy: -149.217
where: short stacking energy: -88.557
Base-Backbone interact. energy: -0.158
local terms energy: -109.812852
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -26.841
flat angles C4'-P-C4' energy: -24.977
flat angles P-C4'-P energy: -17.443
tors. eta vs tors. theta energy: -18.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -238.910318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.910318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.910318 (E_RNA)
where:
Base-Base interactions energy: -152.377
where: short stacking energy: -82.077
Base-Backbone interact. energy: -0.440
local terms energy: -96.094080
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -24.955
flat angles C4'-P-C4' energy: -21.690
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -16.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -204.163652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.163652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.163652 (E_RNA)
where:
Base-Base interactions energy: -120.035
where: short stacking energy: -68.293
Base-Backbone interact. energy: -0.906
local terms energy: -93.222600
where:
bonds (distance) C4'-P energy: -22.756
bonds (distance) P-C4' energy: -27.935
flat angles C4'-P-C4' energy: -21.554
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -8.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -190.094392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.094392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.094392 (E_RNA)
where:
Base-Base interactions energy: -102.463
where: short stacking energy: -49.722
Base-Backbone interact. energy: 0.120
local terms energy: -97.751400
where:
bonds (distance) C4'-P energy: -28.509
bonds (distance) P-C4' energy: -19.665
flat angles C4'-P-C4' energy: -27.675
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -6.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -124.114311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.114311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.114311 (E_RNA)
where:
Base-Base interactions energy: -60.550
where: short stacking energy: -46.518
Base-Backbone interact. energy: -0.713
local terms energy: -72.850567
where:
bonds (distance) C4'-P energy: -25.675
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -13.757
tors. eta vs tors. theta energy: 1.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -497.429272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.429272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.429272 (E_RNA)
where:
Base-Base interactions energy: -347.995
where: short stacking energy: -152.803
Base-Backbone interact. energy: -0.017
local terms energy: -159.417766
where:
bonds (distance) C4'-P energy: -29.569
bonds (distance) P-C4' energy: -29.667
flat angles C4'-P-C4' energy: -30.346
flat angles P-C4'-P energy: -24.879
tors. eta vs tors. theta energy: -44.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -431.740709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.740709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.740709 (E_RNA)
where:
Base-Base interactions energy: -294.849
where: short stacking energy: -129.017
Base-Backbone interact. energy: -0.046
local terms energy: -146.845868
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -27.458
flat angles C4'-P-C4' energy: -27.812
flat angles P-C4'-P energy: -20.215
tors. eta vs tors. theta energy: -42.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -390.544403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.544403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.544403 (E_RNA)
where:
Base-Base interactions energy: -268.642
where: short stacking energy: -113.272
Base-Backbone interact. energy: -0.660
local terms energy: -131.242842
where:
bonds (distance) C4'-P energy: -32.916
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -27.662
flat angles P-C4'-P energy: -19.568
tors. eta vs tors. theta energy: -30.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -337.037096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.037096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.037096 (E_RNA)
where:
Base-Base interactions energy: -222.181
where: short stacking energy: -98.584
Base-Backbone interact. energy: -1.375
local terms energy: -123.480748
where:
bonds (distance) C4'-P energy: -24.387
bonds (distance) P-C4' energy: -25.467
flat angles C4'-P-C4' energy: -31.385
flat angles P-C4'-P energy: -20.801
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -261.794167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.794167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.794167 (E_RNA)
where:
Base-Base interactions energy: -163.886
where: short stacking energy: -88.554
Base-Backbone interact. energy: 1.540
local terms energy: -109.447980
where:
bonds (distance) C4'-P energy: -28.865
bonds (distance) P-C4' energy: -23.886
flat angles C4'-P-C4' energy: -22.131
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -310.353454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.353454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.353454 (E_RNA)
where:
Base-Base interactions energy: -208.047
where: short stacking energy: -96.083
Base-Backbone interact. energy: -0.278
local terms energy: -112.027954
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -24.830
flat angles P-C4'-P energy: -15.353
tors. eta vs tors. theta energy: -31.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -249.550516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.550516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.550516 (E_RNA)
where:
Base-Base interactions energy: -142.908
where: short stacking energy: -79.494
Base-Backbone interact. energy: 1.810
local terms energy: -118.452153
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -28.179
flat angles C4'-P-C4' energy: -28.569
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -20.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -210.331401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.331401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.331401 (E_RNA)
where:
Base-Base interactions energy: -128.318
where: short stacking energy: -76.464
Base-Backbone interact. energy: -0.617
local terms energy: -91.396155
where:
bonds (distance) C4'-P energy: -25.051
bonds (distance) P-C4' energy: -21.397
flat angles C4'-P-C4' energy: -24.597
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -11.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -124.391955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.391955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.391955 (E_RNA)
where:
Base-Base interactions energy: -56.162
where: short stacking energy: -41.865
Base-Backbone interact. energy: -0.271
local terms energy: -77.958647
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -27.301
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -108.601295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.601295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.601295 (E_RNA)
where:
Base-Base interactions energy: -39.279
where: short stacking energy: -39.279
Base-Backbone interact. energy: -0.196
local terms energy: -79.127106
where:
bonds (distance) C4'-P energy: -27.272
bonds (distance) P-C4' energy: -25.670
flat angles C4'-P-C4' energy: -19.590
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: 1.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -497.973361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.973361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.973361 (E_RNA)
where:
Base-Base interactions energy: -355.499
where: short stacking energy: -153.261
Base-Backbone interact. energy: -0.157
local terms energy: -152.317478
where:
bonds (distance) C4'-P energy: -28.487
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -34.428
flat angles P-C4'-P energy: -25.387
tors. eta vs tors. theta energy: -46.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -436.162589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.162589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.162589 (E_RNA)
where:
Base-Base interactions energy: -302.775
where: short stacking energy: -120.571
Base-Backbone interact. energy: -0.128
local terms energy: -143.260325
where:
bonds (distance) C4'-P energy: -27.895
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -26.099
flat angles P-C4'-P energy: -21.804
tors. eta vs tors. theta energy: -42.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -390.340038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.340038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.340038 (E_RNA)
where:
Base-Base interactions energy: -277.697
where: short stacking energy: -113.620
Base-Backbone interact. energy: 0.135
local terms energy: -122.778527
where:
bonds (distance) C4'-P energy: -24.723
bonds (distance) P-C4' energy: -28.584
flat angles C4'-P-C4' energy: -23.950
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -29.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -323.779782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.779782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.779782 (E_RNA)
where:
Base-Base interactions energy: -214.505
where: short stacking energy: -99.343
Base-Backbone interact. energy: -0.360
local terms energy: -118.915231
where:
bonds (distance) C4'-P energy: -22.371
bonds (distance) P-C4' energy: -26.217
flat angles C4'-P-C4' energy: -25.669
flat angles P-C4'-P energy: -19.522
tors. eta vs tors. theta energy: -25.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -350.370940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.370940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.370940 (E_RNA)
where:
Base-Base interactions energy: -225.082
where: short stacking energy: -118.597
Base-Backbone interact. energy: 1.342
local terms energy: -136.631372
where:
bonds (distance) C4'-P energy: -30.373
bonds (distance) P-C4' energy: -26.379
flat angles C4'-P-C4' energy: -27.366
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -32.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -227.183586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.183586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.183586 (E_RNA)
where:
Base-Base interactions energy: -131.488
where: short stacking energy: -70.282
Base-Backbone interact. energy: -1.227
local terms energy: -104.468562
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -25.881
flat angles C4'-P-C4' energy: -23.194
flat angles P-C4'-P energy: -21.112
tors. eta vs tors. theta energy: -10.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -254.434273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.434273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.434273 (E_RNA)
where:
Base-Base interactions energy: -160.133
where: short stacking energy: -89.643
Base-Backbone interact. energy: -0.048
local terms energy: -104.253256
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -22.874
flat angles C4'-P-C4' energy: -24.707
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -23.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -203.921025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.921025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.921025 (E_RNA)
where:
Base-Base interactions energy: -118.301
where: short stacking energy: -67.977
Base-Backbone interact. energy: -0.433
local terms energy: -95.187094
where:
bonds (distance) C4'-P energy: -23.543
bonds (distance) P-C4' energy: -26.066
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -15.157
tors. eta vs tors. theta energy: -10.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -140.349662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.349662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.349662 (E_RNA)
where:
Base-Base interactions energy: -59.918
where: short stacking energy: -52.255
Base-Backbone interact. energy: 0.171
local terms energy: -90.602210
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -29.038
flat angles C4'-P-C4' energy: -23.683
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -122.427987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.427987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.427987 (E_RNA)
where:
Base-Base interactions energy: -60.142
where: short stacking energy: -45.215
Base-Backbone interact. energy: -0.354
local terms energy: -71.932051
where:
bonds (distance) C4'-P energy: -21.207
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -21.304
flat angles P-C4'-P energy: -6.487
tors. eta vs tors. theta energy: 2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -503.165953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.165953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.165953 (E_RNA)
where:
Base-Base interactions energy: -357.179
where: short stacking energy: -147.421
Base-Backbone interact. energy: -0.000
local terms energy: -155.986388
where:
bonds (distance) C4'-P energy: -31.089
bonds (distance) P-C4' energy: -27.838
flat angles C4'-P-C4' energy: -27.865
flat angles P-C4'-P energy: -24.575
tors. eta vs tors. theta energy: -44.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -451.173625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.173625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.173625 (E_RNA)
where:
Base-Base interactions energy: -306.644
where: short stacking energy: -127.909
Base-Backbone interact. energy: -0.197
local terms energy: -154.332127
where:
bonds (distance) C4'-P energy: -29.615
bonds (distance) P-C4' energy: -29.485
flat angles C4'-P-C4' energy: -31.519
flat angles P-C4'-P energy: -19.272
tors. eta vs tors. theta energy: -44.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -418.054386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.054386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.054386 (E_RNA)
where:
Base-Base interactions energy: -294.181
where: short stacking energy: -127.628
Base-Backbone interact. energy: -0.640
local terms energy: -133.232896
where:
bonds (distance) C4'-P energy: -26.125
bonds (distance) P-C4' energy: -23.358
flat angles C4'-P-C4' energy: -31.820
flat angles P-C4'-P energy: -18.499
tors. eta vs tors. theta energy: -33.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -339.934116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.934116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.934116 (E_RNA)
where:
Base-Base interactions energy: -229.574
where: short stacking energy: -108.928
Base-Backbone interact. energy: -0.269
local terms energy: -120.091116
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -28.900
flat angles C4'-P-C4' energy: -30.053
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -29.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -318.363061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.363061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.363061 (E_RNA)
where:
Base-Base interactions energy: -228.491
where: short stacking energy: -102.579
Base-Backbone interact. energy: 0.350
local terms energy: -100.222364
where:
bonds (distance) C4'-P energy: -19.913
bonds (distance) P-C4' energy: -22.398
flat angles C4'-P-C4' energy: -22.317
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -26.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -265.292637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.292637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.292637 (E_RNA)
where:
Base-Base interactions energy: -154.916
where: short stacking energy: -83.600
Base-Backbone interact. energy: 0.374
local terms energy: -120.750189
where:
bonds (distance) C4'-P energy: -24.061
bonds (distance) P-C4' energy: -28.182
flat angles C4'-P-C4' energy: -30.981
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -25.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -230.191176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.191176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.191176 (E_RNA)
where:
Base-Base interactions energy: -137.262
where: short stacking energy: -84.465
Base-Backbone interact. energy: -0.707
local terms energy: -102.222359
where:
bonds (distance) C4'-P energy: -24.747
bonds (distance) P-C4' energy: -27.257
flat angles C4'-P-C4' energy: -26.703
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -228.073166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.073166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.073166 (E_RNA)
where:
Base-Base interactions energy: -143.705
where: short stacking energy: -67.527
Base-Backbone interact. energy: -0.662
local terms energy: -93.705758
where:
bonds (distance) C4'-P energy: -22.172
bonds (distance) P-C4' energy: -23.778
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -12.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -122.171992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.171992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.171992 (E_RNA)
where:
Base-Base interactions energy: -45.540
where: short stacking energy: -40.261
Base-Backbone interact. energy: 0.815
local terms energy: -87.446348
where:
bonds (distance) C4'-P energy: -27.747
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -21.817
flat angles P-C4'-P energy: -11.840
tors. eta vs tors. theta energy: -0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -125.892654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.892654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.892654 (E_RNA)
where:
Base-Base interactions energy: -50.301
where: short stacking energy: -36.433
Base-Backbone interact. energy: -0.448
local terms energy: -85.144040
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -26.737
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -9.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -507.416995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.416995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.416995 (E_RNA)
where:
Base-Base interactions energy: -358.607
where: short stacking energy: -151.993
Base-Backbone interact. energy: -0.144
local terms energy: -158.665451
where:
bonds (distance) C4'-P energy: -26.891
bonds (distance) P-C4' energy: -30.232
flat angles C4'-P-C4' energy: -30.362
flat angles P-C4'-P energy: -24.860
tors. eta vs tors. theta energy: -46.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -446.201856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.201856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.201856 (E_RNA)
where:
Base-Base interactions energy: -313.098
where: short stacking energy: -135.542
Base-Backbone interact. energy: -1.232
local terms energy: -141.872601
where:
bonds (distance) C4'-P energy: -27.569
bonds (distance) P-C4' energy: -26.033
flat angles C4'-P-C4' energy: -28.018
flat angles P-C4'-P energy: -17.321
tors. eta vs tors. theta energy: -42.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -411.300470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.300470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.300470 (E_RNA)
where:
Base-Base interactions energy: -295.792
where: short stacking energy: -124.669
Base-Backbone interact. energy: -1.806
local terms energy: -123.702587
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -26.248
flat angles C4'-P-C4' energy: -27.748
flat angles P-C4'-P energy: -22.454
tors. eta vs tors. theta energy: -27.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -360.553494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.553494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.553494 (E_RNA)
where:
Base-Base interactions energy: -240.854
where: short stacking energy: -114.780
Base-Backbone interact. energy: -0.244
local terms energy: -129.456278
where:
bonds (distance) C4'-P energy: -27.821
bonds (distance) P-C4' energy: -28.087
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -33.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -343.065054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.065054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.065054 (E_RNA)
where:
Base-Base interactions energy: -225.994
where: short stacking energy: -96.566
Base-Backbone interact. energy: -1.259
local terms energy: -125.812236
where:
bonds (distance) C4'-P energy: -29.006
bonds (distance) P-C4' energy: -28.091
flat angles C4'-P-C4' energy: -25.422
flat angles P-C4'-P energy: -22.157
tors. eta vs tors. theta energy: -21.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -254.747981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.747981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.747981 (E_RNA)
where:
Base-Base interactions energy: -156.095
where: short stacking energy: -77.451
Base-Backbone interact. energy: -0.242
local terms energy: -108.411288
where:
bonds (distance) C4'-P energy: -23.979
bonds (distance) P-C4' energy: -24.163
flat angles C4'-P-C4' energy: -28.938
flat angles P-C4'-P energy: -17.724
tors. eta vs tors. theta energy: -13.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -278.904961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.904961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.904961 (E_RNA)
where:
Base-Base interactions energy: -184.300
where: short stacking energy: -92.886
Base-Backbone interact. energy: -1.215
local terms energy: -103.390225
where:
bonds (distance) C4'-P energy: -21.601
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -27.355
flat angles P-C4'-P energy: -19.105
tors. eta vs tors. theta energy: -16.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -218.760270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.760270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.760270 (E_RNA)
where:
Base-Base interactions energy: -125.944
where: short stacking energy: -76.334
Base-Backbone interact. energy: -0.541
local terms energy: -102.274995
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -28.049
flat angles C4'-P-C4' energy: -20.973
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -14.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -137.796830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.796830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.796830 (E_RNA)
where:
Base-Base interactions energy: -64.145
where: short stacking energy: -37.476
Base-Backbone interact. energy: -0.694
local terms energy: -82.957666
where:
bonds (distance) C4'-P energy: -19.253
bonds (distance) P-C4' energy: -27.963
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -123.744692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.744692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.744692 (E_RNA)
where:
Base-Base interactions energy: -57.075
where: short stacking energy: -50.518
Base-Backbone interact. energy: 1.256
local terms energy: -77.925854
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -26.108
flat angles C4'-P-C4' energy: -22.793
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -6.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -493.767177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.767177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.767177 (E_RNA)
where:
Base-Base interactions energy: -349.318
where: short stacking energy: -143.544
Base-Backbone interact. energy: -0.003
local terms energy: -154.446239
where:
bonds (distance) C4'-P energy: -29.327
bonds (distance) P-C4' energy: -30.351
flat angles C4'-P-C4' energy: -31.527
flat angles P-C4'-P energy: -17.969
tors. eta vs tors. theta energy: -45.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -445.193326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.193326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.193326 (E_RNA)
where:
Base-Base interactions energy: -312.163
where: short stacking energy: -133.601
Base-Backbone interact. energy: -0.199
local terms energy: -142.831220
where:
bonds (distance) C4'-P energy: -29.393
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -17.735
tors. eta vs tors. theta energy: -39.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -424.141197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.141197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.141197 (E_RNA)
where:
Base-Base interactions energy: -305.479
where: short stacking energy: -125.806
Base-Backbone interact. energy: 1.213
local terms energy: -129.874754
where:
bonds (distance) C4'-P energy: -25.415
bonds (distance) P-C4' energy: -30.304
flat angles C4'-P-C4' energy: -27.868
flat angles P-C4'-P energy: -19.305
tors. eta vs tors. theta energy: -26.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -340.701155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.701155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.701155 (E_RNA)
where:
Base-Base interactions energy: -223.073
where: short stacking energy: -112.599
Base-Backbone interact. energy: -0.109
local terms energy: -127.519129
where:
bonds (distance) C4'-P energy: -22.782
bonds (distance) P-C4' energy: -30.446
flat angles C4'-P-C4' energy: -26.357
flat angles P-C4'-P energy: -16.450
tors. eta vs tors. theta energy: -31.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -297.230103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.230103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.230103 (E_RNA)
where:
Base-Base interactions energy: -188.958
where: short stacking energy: -78.824
Base-Backbone interact. energy: 0.200
local terms energy: -118.472216
where:
bonds (distance) C4'-P energy: -22.344
bonds (distance) P-C4' energy: -22.975
flat angles C4'-P-C4' energy: -32.657
flat angles P-C4'-P energy: -19.994
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -337.189682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.189682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.189682 (E_RNA)
where:
Base-Base interactions energy: -225.290
where: short stacking energy: -108.709
Base-Backbone interact. energy: -1.094
local terms energy: -120.805781
where:
bonds (distance) C4'-P energy: -26.365
bonds (distance) P-C4' energy: -24.830
flat angles C4'-P-C4' energy: -26.259
flat angles P-C4'-P energy: -19.007
tors. eta vs tors. theta energy: -24.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -236.290108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.290108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.290108 (E_RNA)
where:
Base-Base interactions energy: -132.930
where: short stacking energy: -82.455
Base-Backbone interact. energy: -0.250
local terms energy: -113.109778
where:
bonds (distance) C4'-P energy: -24.519
bonds (distance) P-C4' energy: -28.289
flat angles C4'-P-C4' energy: -28.334
flat angles P-C4'-P energy: -17.753
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -206.257772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.257772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.257772 (E_RNA)
where:
Base-Base interactions energy: -135.839
where: short stacking energy: -67.823
Base-Backbone interact. energy: -0.644
local terms energy: -79.775503
where:
bonds (distance) C4'-P energy: -21.243
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -132.832548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.832548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.832548 (E_RNA)
where:
Base-Base interactions energy: -53.238
where: short stacking energy: -33.260
Base-Backbone interact. energy: 1.580
local terms energy: -91.174228
where:
bonds (distance) C4'-P energy: -22.002
bonds (distance) P-C4' energy: -24.328
flat angles C4'-P-C4' energy: -24.493
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -2.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -123.453538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.453538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.453538 (E_RNA)
where:
Base-Base interactions energy: -47.382
where: short stacking energy: -31.274
Base-Backbone interact. energy: -0.355
local terms energy: -85.716101
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -29.330
flat angles C4'-P-C4' energy: -24.827
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: 2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -490.773244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.773244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.773244 (E_RNA)
where:
Base-Base interactions energy: -359.063
where: short stacking energy: -152.135
Base-Backbone interact. energy: -0.069
local terms energy: -141.641546
where:
bonds (distance) C4'-P energy: -24.094
bonds (distance) P-C4' energy: -25.477
flat angles C4'-P-C4' energy: -29.018
flat angles P-C4'-P energy: -18.812
tors. eta vs tors. theta energy: -44.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -438.017009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.017009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.017009 (E_RNA)
where:
Base-Base interactions energy: -307.691
where: short stacking energy: -121.841
Base-Backbone interact. energy: 1.198
local terms energy: -141.524299
where:
bonds (distance) C4'-P energy: -27.130
bonds (distance) P-C4' energy: -25.739
flat angles C4'-P-C4' energy: -27.534
flat angles P-C4'-P energy: -24.677
tors. eta vs tors. theta energy: -36.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -404.676961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.676961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.676961 (E_RNA)
where:
Base-Base interactions energy: -289.702
where: short stacking energy: -111.224
Base-Backbone interact. energy: -1.740
local terms energy: -123.234909
where:
bonds (distance) C4'-P energy: -24.900
bonds (distance) P-C4' energy: -23.357
flat angles C4'-P-C4' energy: -25.071
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -30.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -353.405631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.405631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.405631 (E_RNA)
where:
Base-Base interactions energy: -223.372
where: short stacking energy: -117.726
Base-Backbone interact. energy: 1.155
local terms energy: -141.187957
where:
bonds (distance) C4'-P energy: -29.790
bonds (distance) P-C4' energy: -29.903
flat angles C4'-P-C4' energy: -26.214
flat angles P-C4'-P energy: -19.119
tors. eta vs tors. theta energy: -36.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -360.807016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.807016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.807016 (E_RNA)
where:
Base-Base interactions energy: -247.121
where: short stacking energy: -111.182
Base-Backbone interact. energy: -0.353
local terms energy: -123.333367
where:
bonds (distance) C4'-P energy: -25.478
bonds (distance) P-C4' energy: -21.842
flat angles C4'-P-C4' energy: -25.036
flat angles P-C4'-P energy: -17.973
tors. eta vs tors. theta energy: -33.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -323.059728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.059728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.059728 (E_RNA)
where:
Base-Base interactions energy: -222.107
where: short stacking energy: -96.126
Base-Backbone interact. energy: -1.862
local terms energy: -109.091382
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -26.965
flat angles C4'-P-C4' energy: -25.503
flat angles P-C4'-P energy: -17.447
tors. eta vs tors. theta energy: -18.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -230.496491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.496491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.496491 (E_RNA)
where:
Base-Base interactions energy: -129.412
where: short stacking energy: -69.311
Base-Backbone interact. energy: -0.261
local terms energy: -110.823696
where:
bonds (distance) C4'-P energy: -26.824
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -29.310
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -14.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -208.621971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.621971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.621971 (E_RNA)
where:
Base-Base interactions energy: -127.771
where: short stacking energy: -70.710
Base-Backbone interact. energy: -0.605
local terms energy: -90.246764
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -24.380
flat angles C4'-P-C4' energy: -21.598
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -9.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -161.356045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.356045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.356045 (E_RNA)
where:
Base-Base interactions energy: -94.222
where: short stacking energy: -47.558
Base-Backbone interact. energy: -0.827
local terms energy: -76.307076
where:
bonds (distance) C4'-P energy: -24.333
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -15.315
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -4.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -113.039279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.039279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.039279 (E_RNA)
where:
Base-Base interactions energy: -53.692
where: short stacking energy: -41.929
Base-Backbone interact. energy: 4.203
local terms energy: -73.550066
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -0.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -503.954323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.954323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.954323 (E_RNA)
where:
Base-Base interactions energy: -359.851
where: short stacking energy: -155.876
Base-Backbone interact. energy: -0.677
local terms energy: -153.426232
where:
bonds (distance) C4'-P energy: -29.586
bonds (distance) P-C4' energy: -27.484
flat angles C4'-P-C4' energy: -30.694
flat angles P-C4'-P energy: -22.496
tors. eta vs tors. theta energy: -43.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -443.507691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.507691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.507691 (E_RNA)
where:
Base-Base interactions energy: -307.455
where: short stacking energy: -132.050
Base-Backbone interact. energy: -0.196
local terms energy: -145.856853
where:
bonds (distance) C4'-P energy: -26.720
bonds (distance) P-C4' energy: -23.545
flat angles C4'-P-C4' energy: -29.635
flat angles P-C4'-P energy: -22.318
tors. eta vs tors. theta energy: -43.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -400.750584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.750584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.750584 (E_RNA)
where:
Base-Base interactions energy: -286.566
where: short stacking energy: -115.569
Base-Backbone interact. energy: 0.445
local terms energy: -124.629553
where:
bonds (distance) C4'-P energy: -28.186
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -25.673
flat angles P-C4'-P energy: -16.736
tors. eta vs tors. theta energy: -32.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -367.561434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.561434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.561434 (E_RNA)
where:
Base-Base interactions energy: -249.367
where: short stacking energy: -107.412
Base-Backbone interact. energy: 0.396
local terms energy: -128.589684
where:
bonds (distance) C4'-P energy: -23.962
bonds (distance) P-C4' energy: -24.068
flat angles C4'-P-C4' energy: -27.768
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -31.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -361.088928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.088928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.088928 (E_RNA)
where:
Base-Base interactions energy: -243.531
where: short stacking energy: -115.134
Base-Backbone interact. energy: 1.122
local terms energy: -128.679021
where:
bonds (distance) C4'-P energy: -30.642
bonds (distance) P-C4' energy: -25.113
flat angles C4'-P-C4' energy: -23.569
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -30.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -307.474041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.474041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.474041 (E_RNA)
where:
Base-Base interactions energy: -210.327
where: short stacking energy: -100.364
Base-Backbone interact. energy: -0.298
local terms energy: -106.849673
where:
bonds (distance) C4'-P energy: -19.082
bonds (distance) P-C4' energy: -28.793
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -25.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -247.145549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.145549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.145549 (E_RNA)
where:
Base-Base interactions energy: -157.478
where: short stacking energy: -79.052
Base-Backbone interact. energy: -0.105
local terms energy: -99.562586
where:
bonds (distance) C4'-P energy: -25.557
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -22.069
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -12.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -195.039290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.039290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.039290 (E_RNA)
where:
Base-Base interactions energy: -112.315
where: short stacking energy: -61.307
Base-Backbone interact. energy: -0.197
local terms energy: -92.527347
where:
bonds (distance) C4'-P energy: -25.164
bonds (distance) P-C4' energy: -22.160
flat angles C4'-P-C4' energy: -23.685
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -15.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -213.267735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.267735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.267735 (E_RNA)
where:
Base-Base interactions energy: -132.471
where: short stacking energy: -67.486
Base-Backbone interact. energy: -0.138
local terms energy: -90.658528
where:
bonds (distance) C4'-P energy: -16.363
bonds (distance) P-C4' energy: -25.023
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -16.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -118.959060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.959060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.959060 (E_RNA)
where:
Base-Base interactions energy: -32.347
where: short stacking energy: -33.729
Base-Backbone interact. energy: -0.234
local terms energy: -96.378495
where:
bonds (distance) C4'-P energy: -28.142
bonds (distance) P-C4' energy: -24.525
flat angles C4'-P-C4' energy: -24.498
flat angles P-C4'-P energy: -16.841
tors. eta vs tors. theta energy: -2.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -496.765161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.765161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.765161 (E_RNA)
where:
Base-Base interactions energy: -348.566
where: short stacking energy: -154.975
Base-Backbone interact. energy: -0.952
local terms energy: -157.247149
where:
bonds (distance) C4'-P energy: -27.695
bonds (distance) P-C4' energy: -26.991
flat angles C4'-P-C4' energy: -31.606
flat angles P-C4'-P energy: -23.593
tors. eta vs tors. theta energy: -47.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -455.715987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.715987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.715987 (E_RNA)
where:
Base-Base interactions energy: -314.982
where: short stacking energy: -126.710
Base-Backbone interact. energy: -1.310
local terms energy: -149.423807
where:
bonds (distance) C4'-P energy: -30.306
bonds (distance) P-C4' energy: -23.956
flat angles C4'-P-C4' energy: -29.309
flat angles P-C4'-P energy: -20.702
tors. eta vs tors. theta energy: -45.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -396.749531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.749531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.749531 (E_RNA)
where:
Base-Base interactions energy: -273.216
where: short stacking energy: -101.675
Base-Backbone interact. energy: -0.322
local terms energy: -133.210705
where:
bonds (distance) C4'-P energy: -30.129
bonds (distance) P-C4' energy: -24.544
flat angles C4'-P-C4' energy: -27.786
flat angles P-C4'-P energy: -23.096
tors. eta vs tors. theta energy: -27.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -367.043504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.043504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.043504 (E_RNA)
where:
Base-Base interactions energy: -259.407
where: short stacking energy: -118.328
Base-Backbone interact. energy: -0.004
local terms energy: -117.632989
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -20.453
flat angles C4'-P-C4' energy: -27.487
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: -38.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -309.188521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.188521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.188521 (E_RNA)
where:
Base-Base interactions energy: -197.428
where: short stacking energy: -106.182
Base-Backbone interact. energy: -1.833
local terms energy: -119.927130
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -29.514
flat angles C4'-P-C4' energy: -28.253
flat angles P-C4'-P energy: -13.135
tors. eta vs tors. theta energy: -25.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -315.330110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.330110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -325.330110 (E_RNA)
where:
Base-Base interactions energy: -200.466
where: short stacking energy: -85.179
Base-Backbone interact. energy: 0.149
local terms energy: -125.012696
where:
bonds (distance) C4'-P energy: -30.346
bonds (distance) P-C4' energy: -26.119
flat angles C4'-P-C4' energy: -29.042
flat angles P-C4'-P energy: -17.542
tors. eta vs tors. theta energy: -21.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -306.792178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.792178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.792178 (E_RNA)
where:
Base-Base interactions energy: -187.785
where: short stacking energy: -100.435
Base-Backbone interact. energy: -0.164
local terms energy: -128.843245
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -26.298
flat angles C4'-P-C4' energy: -30.818
flat angles P-C4'-P energy: -20.293
tors. eta vs tors. theta energy: -29.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -235.561275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.561275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.561275 (E_RNA)
where:
Base-Base interactions energy: -137.498
where: short stacking energy: -66.409
Base-Backbone interact. energy: -0.517
local terms energy: -107.546116
where:
bonds (distance) C4'-P energy: -24.193
bonds (distance) P-C4' energy: -28.636
flat angles C4'-P-C4' energy: -23.004
flat angles P-C4'-P energy: -21.506
tors. eta vs tors. theta energy: -10.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -209.545849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.545849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.545849 (E_RNA)
where:
Base-Base interactions energy: -138.400
where: short stacking energy: -70.052
Base-Backbone interact. energy: 0.857
local terms energy: -82.003060
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -26.287
flat angles C4'-P-C4' energy: -20.446
flat angles P-C4'-P energy: -8.898
tors. eta vs tors. theta energy: -10.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -145.853788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.853788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.853788 (E_RNA)
where:
Base-Base interactions energy: -67.118
where: short stacking energy: -48.788
Base-Backbone interact. energy: -0.505
local terms energy: -88.231236
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -28.782
flat angles C4'-P-C4' energy: -22.874
flat angles P-C4'-P energy: -13.605
tors. eta vs tors. theta energy: -6.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -496.470599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.470599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.470599 (E_RNA)
where:
Base-Base interactions energy: -347.821
where: short stacking energy: -147.365
Base-Backbone interact. energy: -0.243
local terms energy: -158.407387
where:
bonds (distance) C4'-P energy: -27.740
bonds (distance) P-C4' energy: -28.210
flat angles C4'-P-C4' energy: -33.060
flat angles P-C4'-P energy: -22.841
tors. eta vs tors. theta energy: -46.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -446.102367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.102367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.102367 (E_RNA)
where:
Base-Base interactions energy: -306.446
where: short stacking energy: -132.509
Base-Backbone interact. energy: -0.375
local terms energy: -149.281374
where:
bonds (distance) C4'-P energy: -28.999
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -30.525
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -39.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -391.304056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.304056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.304056 (E_RNA)
where:
Base-Base interactions energy: -272.127
where: short stacking energy: -114.127
Base-Backbone interact. energy: -0.431
local terms energy: -128.746604
where:
bonds (distance) C4'-P energy: -24.004
bonds (distance) P-C4' energy: -27.297
flat angles C4'-P-C4' energy: -32.823
flat angles P-C4'-P energy: -15.824
tors. eta vs tors. theta energy: -28.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -361.240265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.240265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.240265 (E_RNA)
where:
Base-Base interactions energy: -244.570
where: short stacking energy: -117.210
Base-Backbone interact. energy: -0.185
local terms energy: -126.484999
where:
bonds (distance) C4'-P energy: -25.036
bonds (distance) P-C4' energy: -27.885
flat angles C4'-P-C4' energy: -26.046
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -31.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -317.554349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.554349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.554349 (E_RNA)
where:
Base-Base interactions energy: -202.879
where: short stacking energy: -98.030
Base-Backbone interact. energy: -0.046
local terms energy: -124.630205
where:
bonds (distance) C4'-P energy: -25.484
bonds (distance) P-C4' energy: -27.701
flat angles C4'-P-C4' energy: -28.061
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -28.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -340.059831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.059831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.059831 (E_RNA)
where:
Base-Base interactions energy: -227.419
where: short stacking energy: -108.589
Base-Backbone interact. energy: -0.408
local terms energy: -122.232580
where:
bonds (distance) C4'-P energy: -25.956
bonds (distance) P-C4' energy: -25.699
flat angles C4'-P-C4' energy: -23.068
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -29.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -287.574052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.574052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.574052 (E_RNA)
where:
Base-Base interactions energy: -187.826
where: short stacking energy: -82.404
Base-Backbone interact. energy: -1.131
local terms energy: -108.616731
where:
bonds (distance) C4'-P energy: -21.973
bonds (distance) P-C4' energy: -26.193
flat angles C4'-P-C4' energy: -28.640
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -18.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -219.014693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.014693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.014693 (E_RNA)
where:
Base-Base interactions energy: -125.201
where: short stacking energy: -76.982
Base-Backbone interact. energy: -0.158
local terms energy: -103.656300
where:
bonds (distance) C4'-P energy: -21.439
bonds (distance) P-C4' energy: -26.670
flat angles C4'-P-C4' energy: -24.963
flat angles P-C4'-P energy: -12.539
tors. eta vs tors. theta energy: -18.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -215.598485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.598485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.598485 (E_RNA)
where:
Base-Base interactions energy: -124.513
where: short stacking energy: -64.567
Base-Backbone interact. energy: -0.286
local terms energy: -100.798952
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -20.804
flat angles C4'-P-C4' energy: -27.213
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -125.084916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.084916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.084916 (E_RNA)
where:
Base-Base interactions energy: -48.087
where: short stacking energy: -35.182
Base-Backbone interact. energy: -0.418
local terms energy: -86.580502
where:
bonds (distance) C4'-P energy: -23.690
bonds (distance) P-C4' energy: -25.133
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -6.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -496.483617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.483617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.483617 (E_RNA)
where:
Base-Base interactions energy: -351.578
where: short stacking energy: -145.357
Base-Backbone interact. energy: -0.104
local terms energy: -154.801115
where:
bonds (distance) C4'-P energy: -23.517
bonds (distance) P-C4' energy: -28.454
flat angles C4'-P-C4' energy: -30.869
flat angles P-C4'-P energy: -25.189
tors. eta vs tors. theta energy: -46.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -440.175583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.175583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.175583 (E_RNA)
where:
Base-Base interactions energy: -301.023
where: short stacking energy: -131.284
Base-Backbone interact. energy: -0.629
local terms energy: -148.523444
where:
bonds (distance) C4'-P energy: -26.195
bonds (distance) P-C4' energy: -30.691
flat angles C4'-P-C4' energy: -24.586
flat angles P-C4'-P energy: -21.873
tors. eta vs tors. theta energy: -45.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -402.801343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.801343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.801343 (E_RNA)
where:
Base-Base interactions energy: -281.549
where: short stacking energy: -122.378
Base-Backbone interact. energy: -1.500
local terms energy: -129.751989
where:
bonds (distance) C4'-P energy: -28.522
bonds (distance) P-C4' energy: -25.995
flat angles C4'-P-C4' energy: -24.336
flat angles P-C4'-P energy: -21.742
tors. eta vs tors. theta energy: -29.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -360.196375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.196375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.196375 (E_RNA)
where:
Base-Base interactions energy: -247.723
where: short stacking energy: -116.583
Base-Backbone interact. energy: -0.229
local terms energy: -122.243972
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -19.952
flat angles C4'-P-C4' energy: -23.989
flat angles P-C4'-P energy: -19.172
tors. eta vs tors. theta energy: -32.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -320.401523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.401523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.401523 (E_RNA)
where:
Base-Base interactions energy: -209.834
where: short stacking energy: -101.124
Base-Backbone interact. energy: -2.616
local terms energy: -117.950943
where:
bonds (distance) C4'-P energy: -20.448
bonds (distance) P-C4' energy: -26.858
flat angles C4'-P-C4' energy: -31.745
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -26.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -298.934444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.934444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.934444 (E_RNA)
where:
Base-Base interactions energy: -191.529
where: short stacking energy: -88.259
Base-Backbone interact. energy: -0.267
local terms energy: -117.137827
where:
bonds (distance) C4'-P energy: -21.135
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -33.156
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: -21.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -228.903671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.903671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.903671 (E_RNA)
where:
Base-Base interactions energy: -142.232
where: short stacking energy: -88.885
Base-Backbone interact. energy: -0.047
local terms energy: -96.624330
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -18.769
tors. eta vs tors. theta energy: -25.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -234.126164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.126164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.126164 (E_RNA)
where:
Base-Base interactions energy: -144.301
where: short stacking energy: -76.455
Base-Backbone interact. energy: -0.380
local terms energy: -99.445747
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -24.341
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -127.918142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.918142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.918142 (E_RNA)
where:
Base-Base interactions energy: -45.469
where: short stacking energy: -41.738
Base-Backbone interact. energy: -0.441
local terms energy: -92.008516
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -31.850
flat angles C4'-P-C4' energy: -24.912
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -3.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -194.064845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.064845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.064845 (E_RNA)
where:
Base-Base interactions energy: -112.305
where: short stacking energy: -58.589
Base-Backbone interact. energy: 1.969
local terms energy: -93.728640
where:
bonds (distance) C4'-P energy: -24.782
bonds (distance) P-C4' energy: -22.406
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -17.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -486.267871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.267871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.267871 (E_RNA)
where:
Base-Base interactions energy: -343.635
where: short stacking energy: -144.820
Base-Backbone interact. energy: -0.061
local terms energy: -152.571784
where:
bonds (distance) C4'-P energy: -28.764
bonds (distance) P-C4' energy: -29.301
flat angles C4'-P-C4' energy: -26.233
flat angles P-C4'-P energy: -22.058
tors. eta vs tors. theta energy: -46.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -441.787037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.787037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.787037 (E_RNA)
where:
Base-Base interactions energy: -308.286
where: short stacking energy: -132.023
Base-Backbone interact. energy: -0.131
local terms energy: -143.369786
where:
bonds (distance) C4'-P energy: -26.423
bonds (distance) P-C4' energy: -27.903
flat angles C4'-P-C4' energy: -25.315
flat angles P-C4'-P energy: -22.116
tors. eta vs tors. theta energy: -41.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -417.114053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.114053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.114053 (E_RNA)
where:
Base-Base interactions energy: -287.587
where: short stacking energy: -124.950
Base-Backbone interact. energy: -0.015
local terms energy: -139.512638
where:
bonds (distance) C4'-P energy: -27.670
bonds (distance) P-C4' energy: -26.425
flat angles C4'-P-C4' energy: -34.172
flat angles P-C4'-P energy: -16.662
tors. eta vs tors. theta energy: -34.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -336.674715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.674715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.674715 (E_RNA)
where:
Base-Base interactions energy: -221.422
where: short stacking energy: -106.243
Base-Backbone interact. energy: -1.287
local terms energy: -123.965828
where:
bonds (distance) C4'-P energy: -23.081
bonds (distance) P-C4' energy: -26.539
flat angles C4'-P-C4' energy: -29.429
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -28.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -345.986142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.986142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.986142 (E_RNA)
where:
Base-Base interactions energy: -231.338
where: short stacking energy: -108.687
Base-Backbone interact. energy: 0.393
local terms energy: -125.041449
where:
bonds (distance) C4'-P energy: -23.458
bonds (distance) P-C4' energy: -25.687
flat angles C4'-P-C4' energy: -27.095
flat angles P-C4'-P energy: -16.553
tors. eta vs tors. theta energy: -32.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -272.380770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.380770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.380770 (E_RNA)
where:
Base-Base interactions energy: -165.041
where: short stacking energy: -100.629
Base-Backbone interact. energy: -0.094
local terms energy: -117.245824
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -32.542
flat angles C4'-P-C4' energy: -24.995
flat angles P-C4'-P energy: -19.830
tors. eta vs tors. theta energy: -25.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -271.059761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.059761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.059761 (E_RNA)
where:
Base-Base interactions energy: -163.139
where: short stacking energy: -84.497
Base-Backbone interact. energy: 0.826
local terms energy: -118.747148
where:
bonds (distance) C4'-P energy: -28.300
bonds (distance) P-C4' energy: -24.885
flat angles C4'-P-C4' energy: -22.577
flat angles P-C4'-P energy: -17.957
tors. eta vs tors. theta energy: -25.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -220.020590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.020590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.020590 (E_RNA)
where:
Base-Base interactions energy: -134.519
where: short stacking energy: -69.978
Base-Backbone interact. energy: -0.412
local terms energy: -95.089493
where:
bonds (distance) C4'-P energy: -22.495
bonds (distance) P-C4' energy: -24.698
flat angles C4'-P-C4' energy: -29.539
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -7.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -127.017174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.017174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.017174 (E_RNA)
where:
Base-Base interactions energy: -56.880
where: short stacking energy: -45.270
Base-Backbone interact. energy: -1.056
local terms energy: -79.081083
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -15.605
tors. eta vs tors. theta energy: -2.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -203.017798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.017798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.017798 (E_RNA)
where:
Base-Base interactions energy: -133.374
where: short stacking energy: -64.862
Base-Backbone interact. energy: 1.144
local terms energy: -80.788169
where:
bonds (distance) C4'-P energy: -20.970
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -23.240
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -7.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -488.181648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.181648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.181648 (E_RNA)
where:
Base-Base interactions energy: -350.602
where: short stacking energy: -144.839
Base-Backbone interact. energy: 0.814
local terms energy: -148.393166
where:
bonds (distance) C4'-P energy: -21.798
bonds (distance) P-C4' energy: -31.122
flat angles C4'-P-C4' energy: -31.145
flat angles P-C4'-P energy: -23.215
tors. eta vs tors. theta energy: -41.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -444.759050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.759050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.759050 (E_RNA)
where:
Base-Base interactions energy: -312.320
where: short stacking energy: -139.044
Base-Backbone interact. energy: -0.072
local terms energy: -142.367580
where:
bonds (distance) C4'-P energy: -26.108
bonds (distance) P-C4' energy: -28.810
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -21.600
tors. eta vs tors. theta energy: -39.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -410.242274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.242274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.242274 (E_RNA)
where:
Base-Base interactions energy: -284.894
where: short stacking energy: -116.268
Base-Backbone interact. energy: -0.184
local terms energy: -135.164958
where:
bonds (distance) C4'-P energy: -28.357
bonds (distance) P-C4' energy: -30.112
flat angles C4'-P-C4' energy: -29.766
flat angles P-C4'-P energy: -15.739
tors. eta vs tors. theta energy: -31.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -359.247529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.247529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.247529 (E_RNA)
where:
Base-Base interactions energy: -246.882
where: short stacking energy: -112.256
Base-Backbone interact. energy: 2.122
local terms energy: -124.488112
where:
bonds (distance) C4'-P energy: -25.130
bonds (distance) P-C4' energy: -21.706
flat angles C4'-P-C4' energy: -27.770
flat angles P-C4'-P energy: -18.659
tors. eta vs tors. theta energy: -31.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -335.745879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.745879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.745879 (E_RNA)
where:
Base-Base interactions energy: -236.413
where: short stacking energy: -102.989
Base-Backbone interact. energy: -0.403
local terms energy: -108.929739
where:
bonds (distance) C4'-P energy: -21.848
bonds (distance) P-C4' energy: -21.279
flat angles C4'-P-C4' energy: -27.798
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -25.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -327.828558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.828558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.828558 (E_RNA)
where:
Base-Base interactions energy: -231.356
where: short stacking energy: -92.163
Base-Backbone interact. energy: -0.445
local terms energy: -106.027533
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -24.274
flat angles C4'-P-C4' energy: -20.077
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: -22.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -285.236059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.236059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.236059 (E_RNA)
where:
Base-Base interactions energy: -183.139
where: short stacking energy: -86.075
Base-Backbone interact. energy: -0.869
local terms energy: -111.228034
where:
bonds (distance) C4'-P energy: -26.632
bonds (distance) P-C4' energy: -26.876
flat angles C4'-P-C4' energy: -23.468
flat angles P-C4'-P energy: -16.594
tors. eta vs tors. theta energy: -17.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -207.478377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.478377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.478377 (E_RNA)
where:
Base-Base interactions energy: -126.250
where: short stacking energy: -64.178
Base-Backbone interact. energy: -0.333
local terms energy: -90.896014
where:
bonds (distance) C4'-P energy: -20.800
bonds (distance) P-C4' energy: -25.366
flat angles C4'-P-C4' energy: -25.585
flat angles P-C4'-P energy: -7.326
tors. eta vs tors. theta energy: -11.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -215.566052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.566052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.566052 (E_RNA)
where:
Base-Base interactions energy: -138.802
where: short stacking energy: -58.954
Base-Backbone interact. energy: 2.427
local terms energy: -89.190880
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -21.657
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -10.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -104.644590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.644590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.644590 (E_RNA)
where:
Base-Base interactions energy: -34.212
where: short stacking energy: -29.131
Base-Backbone interact. energy: 0.493
local terms energy: -80.925792
where:
bonds (distance) C4'-P energy: -24.222
bonds (distance) P-C4' energy: -24.067
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: 2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -492.355664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.355664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.355664 (E_RNA)
where:
Base-Base interactions energy: -354.332
where: short stacking energy: -138.543
Base-Backbone interact. energy: -0.238
local terms energy: -147.785568
where:
bonds (distance) C4'-P energy: -31.805
bonds (distance) P-C4' energy: -28.395
flat angles C4'-P-C4' energy: -28.298
flat angles P-C4'-P energy: -20.410
tors. eta vs tors. theta energy: -38.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -428.122875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.122875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.122875 (E_RNA)
where:
Base-Base interactions energy: -296.142
where: short stacking energy: -125.305
Base-Backbone interact. energy: -0.407
local terms energy: -141.574121
where:
bonds (distance) C4'-P energy: -24.214
bonds (distance) P-C4' energy: -29.041
flat angles C4'-P-C4' energy: -31.010
flat angles P-C4'-P energy: -23.479
tors. eta vs tors. theta energy: -33.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -436.860299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.860299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.860299 (E_RNA)
where:
Base-Base interactions energy: -304.197
where: short stacking energy: -128.646
Base-Backbone interact. energy: -0.486
local terms energy: -142.177264
where:
bonds (distance) C4'-P energy: -26.865
bonds (distance) P-C4' energy: -23.967
flat angles C4'-P-C4' energy: -30.922
flat angles P-C4'-P energy: -22.700
tors. eta vs tors. theta energy: -37.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -352.533523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.533523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.533523 (E_RNA)
where:
Base-Base interactions energy: -233.502
where: short stacking energy: -105.609
Base-Backbone interact. energy: -0.114
local terms energy: -128.917583
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -28.652
flat angles C4'-P-C4' energy: -26.901
flat angles P-C4'-P energy: -16.923
tors. eta vs tors. theta energy: -29.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -339.623220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.623220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.623220 (E_RNA)
where:
Base-Base interactions energy: -230.955
where: short stacking energy: -106.774
Base-Backbone interact. energy: -0.641
local terms energy: -118.027006
where:
bonds (distance) C4'-P energy: -20.793
bonds (distance) P-C4' energy: -28.085
flat angles C4'-P-C4' energy: -27.714
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -26.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -311.564030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.564030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.564030 (E_RNA)
where:
Base-Base interactions energy: -215.405
where: short stacking energy: -81.102
Base-Backbone interact. energy: -0.865
local terms energy: -105.294155
where:
bonds (distance) C4'-P energy: -27.623
bonds (distance) P-C4' energy: -25.609
flat angles C4'-P-C4' energy: -20.285
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -20.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -269.041044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.041044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.041044 (E_RNA)
where:
Base-Base interactions energy: -168.717
where: short stacking energy: -80.499
Base-Backbone interact. energy: -1.857
local terms energy: -108.466519
where:
bonds (distance) C4'-P energy: -23.656
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -25.688
flat angles P-C4'-P energy: -13.158
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -201.161858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.161858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.161858 (E_RNA)
where:
Base-Base interactions energy: -120.665
where: short stacking energy: -63.716
Base-Backbone interact. energy: 0.061
local terms energy: -90.557221
where:
bonds (distance) C4'-P energy: -20.957
bonds (distance) P-C4' energy: -20.247
flat angles C4'-P-C4' energy: -27.218
flat angles P-C4'-P energy: -15.721
tors. eta vs tors. theta energy: -6.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -151.843126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.843126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.843126 (E_RNA)
where:
Base-Base interactions energy: -81.647
where: short stacking energy: -35.619
Base-Backbone interact. energy: -1.515
local terms energy: -78.681206
where:
bonds (distance) C4'-P energy: -24.415
bonds (distance) P-C4' energy: -24.542
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: 5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -114.319738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.319738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.319738 (E_RNA)
where:
Base-Base interactions energy: -49.443
where: short stacking energy: -49.443
Base-Backbone interact. energy: -0.306
local terms energy: -74.571080
where:
bonds (distance) C4'-P energy: -23.221
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: 1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -495.905651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.905651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.905651 (E_RNA)
where:
Base-Base interactions energy: -352.821
where: short stacking energy: -149.825
Base-Backbone interact. energy: -0.468
local terms energy: -152.616554
where:
bonds (distance) C4'-P energy: -30.196
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -31.613
flat angles P-C4'-P energy: -22.619
tors. eta vs tors. theta energy: -42.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -420.401481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.401481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.401481 (E_RNA)
where:
Base-Base interactions energy: -295.452
where: short stacking energy: -117.759
Base-Backbone interact. energy: -0.877
local terms energy: -134.072620
where:
bonds (distance) C4'-P energy: -24.899
bonds (distance) P-C4' energy: -24.006
flat angles C4'-P-C4' energy: -29.638
flat angles P-C4'-P energy: -22.830
tors. eta vs tors. theta energy: -32.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -432.931620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.931620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.931620 (E_RNA)
where:
Base-Base interactions energy: -306.214
where: short stacking energy: -128.665
Base-Backbone interact. energy: -0.829
local terms energy: -135.889568
where:
bonds (distance) C4'-P energy: -28.931
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -32.986
flat angles P-C4'-P energy: -19.610
tors. eta vs tors. theta energy: -38.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -366.690606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.690606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.690606 (E_RNA)
where:
Base-Base interactions energy: -245.227
where: short stacking energy: -125.293
Base-Backbone interact. energy: -0.058
local terms energy: -131.405398
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -29.253
flat angles C4'-P-C4' energy: -25.853
flat angles P-C4'-P energy: -19.842
tors. eta vs tors. theta energy: -34.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -349.323365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.323365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.323365 (E_RNA)
where:
Base-Base interactions energy: -233.880
where: short stacking energy: -109.612
Base-Backbone interact. energy: -0.093
local terms energy: -125.350783
where:
bonds (distance) C4'-P energy: -23.218
bonds (distance) P-C4' energy: -28.038
flat angles C4'-P-C4' energy: -26.668
flat angles P-C4'-P energy: -20.497
tors. eta vs tors. theta energy: -26.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -354.440147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.440147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.440147 (E_RNA)
where:
Base-Base interactions energy: -245.292
where: short stacking energy: -116.694
Base-Backbone interact. energy: 1.704
local terms energy: -120.851930
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -30.947
flat angles C4'-P-C4' energy: -27.006
flat angles P-C4'-P energy: -18.466
tors. eta vs tors. theta energy: -27.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -257.142132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.142132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.142132 (E_RNA)
where:
Base-Base interactions energy: -163.079
where: short stacking energy: -81.754
Base-Backbone interact. energy: -0.066
local terms energy: -103.997091
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -25.011
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -21.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -142.096705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.096705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.096705 (E_RNA)
where:
Base-Base interactions energy: -60.994
where: short stacking energy: -56.157
Base-Backbone interact. energy: -0.155
local terms energy: -90.948384
where:
bonds (distance) C4'-P energy: -25.976
bonds (distance) P-C4' energy: -23.243
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -15.953
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -128.249693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.249693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.249693 (E_RNA)
where:
Base-Base interactions energy: -62.452
where: short stacking energy: -47.735
Base-Backbone interact. energy: -0.203
local terms energy: -75.595194
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -23.893
flat angles C4'-P-C4' energy: -23.691
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: 1.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -115.953040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.953040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.953040 (E_RNA)
where:
Base-Base interactions energy: -43.926
where: short stacking energy: -36.154
Base-Backbone interact. energy: -0.452
local terms energy: -81.574809
where:
bonds (distance) C4'-P energy: -32.257
bonds (distance) P-C4' energy: -23.374
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: 1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -492.979506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.979506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.979506 (E_RNA)
where:
Base-Base interactions energy: -344.261
where: short stacking energy: -146.965
Base-Backbone interact. energy: -0.284
local terms energy: -158.434214
where:
bonds (distance) C4'-P energy: -27.542
bonds (distance) P-C4' energy: -30.535
flat angles C4'-P-C4' energy: -33.194
flat angles P-C4'-P energy: -21.892
tors. eta vs tors. theta energy: -45.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -443.697476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.697476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.697476 (E_RNA)
where:
Base-Base interactions energy: -310.927
where: short stacking energy: -126.285
Base-Backbone interact. energy: -0.211
local terms energy: -142.560194
where:
bonds (distance) C4'-P energy: -23.455
bonds (distance) P-C4' energy: -26.216
flat angles C4'-P-C4' energy: -31.965
flat angles P-C4'-P energy: -21.030
tors. eta vs tors. theta energy: -39.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -422.382911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.382911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.382911 (E_RNA)
where:
Base-Base interactions energy: -293.197
where: short stacking energy: -115.019
Base-Backbone interact. energy: -0.495
local terms energy: -138.690866
where:
bonds (distance) C4'-P energy: -23.278
bonds (distance) P-C4' energy: -29.819
flat angles C4'-P-C4' energy: -32.305
flat angles P-C4'-P energy: -18.843
tors. eta vs tors. theta energy: -34.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -361.397380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.397380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.397380 (E_RNA)
where:
Base-Base interactions energy: -247.691
where: short stacking energy: -116.268
Base-Backbone interact. energy: -0.559
local terms energy: -123.147879
where:
bonds (distance) C4'-P energy: -21.300
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -31.427
flat angles P-C4'-P energy: -18.992
tors. eta vs tors. theta energy: -31.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -351.847747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.847747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.847747 (E_RNA)
where:
Base-Base interactions energy: -237.364
where: short stacking energy: -120.057
Base-Backbone interact. energy: -0.189
local terms energy: -124.294610
where:
bonds (distance) C4'-P energy: -23.476
bonds (distance) P-C4' energy: -21.476
flat angles C4'-P-C4' energy: -31.350
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: -35.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -373.065838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.065838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.065838 (E_RNA)
where:
Base-Base interactions energy: -249.067
where: short stacking energy: -124.334
Base-Backbone interact. energy: -0.013
local terms energy: -133.986686
where:
bonds (distance) C4'-P energy: -20.237
bonds (distance) P-C4' energy: -29.857
flat angles C4'-P-C4' energy: -25.694
flat angles P-C4'-P energy: -21.627
tors. eta vs tors. theta energy: -36.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -243.527194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.527194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.527194 (E_RNA)
where:
Base-Base interactions energy: -147.578
where: short stacking energy: -73.506
Base-Backbone interact. energy: -0.579
local terms energy: -105.369897
where:
bonds (distance) C4'-P energy: -27.955
bonds (distance) P-C4' energy: -32.317
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -14.389
tors. eta vs tors. theta energy: -11.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -146.092922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.092922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.092922 (E_RNA)
where:
Base-Base interactions energy: -57.064
where: short stacking energy: -47.336
Base-Backbone interact. energy: 0.317
local terms energy: -99.345901
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -24.416
flat angles C4'-P-C4' energy: -24.234
flat angles P-C4'-P energy: -19.217
tors. eta vs tors. theta energy: -10.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -127.466953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.466953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.466953 (E_RNA)
where:
Base-Base interactions energy: -54.205
where: short stacking energy: -43.727
Base-Backbone interact. energy: 0.743
local terms energy: -84.004840
where:
bonds (distance) C4'-P energy: -12.929
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -28.329
flat angles P-C4'-P energy: -14.079
tors. eta vs tors. theta energy: -5.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -122.581134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.581134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.581134 (E_RNA)
where:
Base-Base interactions energy: -57.094
where: short stacking energy: -47.323
Base-Backbone interact. energy: -0.320
local terms energy: -75.167562
where:
bonds (distance) C4'-P energy: -23.236
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -4.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -506.879288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.879288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.879288 (E_RNA)
where:
Base-Base interactions energy: -358.538
where: short stacking energy: -154.580
Base-Backbone interact. energy: -0.212
local terms energy: -158.128711
where:
bonds (distance) C4'-P energy: -25.216
bonds (distance) P-C4' energy: -26.832
flat angles C4'-P-C4' energy: -34.007
flat angles P-C4'-P energy: -26.345
tors. eta vs tors. theta energy: -45.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -442.707282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.707282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.707282 (E_RNA)
where:
Base-Base interactions energy: -305.621
where: short stacking energy: -133.800
Base-Backbone interact. energy: -0.297
local terms energy: -146.789398
where:
bonds (distance) C4'-P energy: -26.453
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -30.272
flat angles P-C4'-P energy: -22.980
tors. eta vs tors. theta energy: -39.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -415.381758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.381758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.381758 (E_RNA)
where:
Base-Base interactions energy: -286.921
where: short stacking energy: -119.787
Base-Backbone interact. energy: 0.611
local terms energy: -139.071551
where:
bonds (distance) C4'-P energy: -25.500
bonds (distance) P-C4' energy: -29.980
flat angles C4'-P-C4' energy: -25.706
flat angles P-C4'-P energy: -25.120
tors. eta vs tors. theta energy: -32.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -375.279891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.279891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.279891 (E_RNA)
where:
Base-Base interactions energy: -253.092
where: short stacking energy: -116.315
Base-Backbone interact. energy: 0.741
local terms energy: -132.928668
where:
bonds (distance) C4'-P energy: -27.565
bonds (distance) P-C4' energy: -22.133
flat angles C4'-P-C4' energy: -30.110
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -35.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -399.862115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.862115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.862115 (E_RNA)
where:
Base-Base interactions energy: -282.471
where: short stacking energy: -133.031
Base-Backbone interact. energy: 2.979
local terms energy: -130.370384
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -22.110
flat angles C4'-P-C4' energy: -29.953
flat angles P-C4'-P energy: -24.599
tors. eta vs tors. theta energy: -34.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -316.448582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.448582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.448582 (E_RNA)
where:
Base-Base interactions energy: -207.845
where: short stacking energy: -100.022
Base-Backbone interact. energy: -0.183
local terms energy: -118.420917
where:
bonds (distance) C4'-P energy: -24.462
bonds (distance) P-C4' energy: -28.756
flat angles C4'-P-C4' energy: -21.649
flat angles P-C4'-P energy: -20.923
tors. eta vs tors. theta energy: -22.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -253.103433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.103433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.103433 (E_RNA)
where:
Base-Base interactions energy: -153.868
where: short stacking energy: -81.272
Base-Backbone interact. energy: -1.853
local terms energy: -107.382481
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -16.021
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -129.246921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.246921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.246921 (E_RNA)
where:
Base-Base interactions energy: -49.428
where: short stacking energy: -41.810
Base-Backbone interact. energy: 0.061
local terms energy: -89.880367
where:
bonds (distance) C4'-P energy: -23.133
bonds (distance) P-C4' energy: -22.273
flat angles C4'-P-C4' energy: -27.500
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -145.609488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.609488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.609488 (E_RNA)
where:
Base-Base interactions energy: -59.242
where: short stacking energy: -58.766
Base-Backbone interact. energy: -0.319
local terms energy: -96.048967
where:
bonds (distance) C4'-P energy: -23.267
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -109.444842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.444842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.444842 (E_RNA)
where:
Base-Base interactions energy: -36.277
where: short stacking energy: -29.204
Base-Backbone interact. energy: 0.515
local terms energy: -83.683213
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -29.611
flat angles C4'-P-C4' energy: -24.021
flat angles P-C4'-P energy: -2.435
tors. eta vs tors. theta energy: -4.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -501.274759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.274759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.274759 (E_RNA)
where:
Base-Base interactions energy: -356.576
where: short stacking energy: -145.564
Base-Backbone interact. energy: -0.009
local terms energy: -154.689763
where:
bonds (distance) C4'-P energy: -26.468
bonds (distance) P-C4' energy: -27.340
flat angles C4'-P-C4' energy: -31.082
flat angles P-C4'-P energy: -24.534
tors. eta vs tors. theta energy: -45.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -452.349931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.349931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.349931 (E_RNA)
where:
Base-Base interactions energy: -318.648
where: short stacking energy: -134.264
Base-Backbone interact. energy: 0.136
local terms energy: -143.837850
where:
bonds (distance) C4'-P energy: -26.618
bonds (distance) P-C4' energy: -24.927
flat angles C4'-P-C4' energy: -26.773
flat angles P-C4'-P energy: -21.725
tors. eta vs tors. theta energy: -43.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -418.843505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.843505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.843505 (E_RNA)
where:
Base-Base interactions energy: -294.423
where: short stacking energy: -124.507
Base-Backbone interact. energy: -0.066
local terms energy: -134.354331
where:
bonds (distance) C4'-P energy: -27.090
bonds (distance) P-C4' energy: -26.747
flat angles C4'-P-C4' energy: -31.198
flat angles P-C4'-P energy: -15.359
tors. eta vs tors. theta energy: -33.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -406.461367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.461367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.461367 (E_RNA)
where:
Base-Base interactions energy: -287.847
where: short stacking energy: -129.689
Base-Backbone interact. energy: 0.757
local terms energy: -129.371239
where:
bonds (distance) C4'-P energy: -20.085
bonds (distance) P-C4' energy: -24.508
flat angles C4'-P-C4' energy: -28.925
flat angles P-C4'-P energy: -15.947
tors. eta vs tors. theta energy: -39.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -362.225917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.225917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.225917 (E_RNA)
where:
Base-Base interactions energy: -245.699
where: short stacking energy: -116.622
Base-Backbone interact. energy: -1.020
local terms energy: -125.506817
where:
bonds (distance) C4'-P energy: -27.959
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -27.560
flat angles P-C4'-P energy: -16.793
tors. eta vs tors. theta energy: -30.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -303.922510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.922510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.922510 (E_RNA)
where:
Base-Base interactions energy: -201.650
where: short stacking energy: -90.215
Base-Backbone interact. energy: -0.300
local terms energy: -111.972087
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -16.663
tors. eta vs tors. theta energy: -24.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -230.041470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.041470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.041470 (E_RNA)
where:
Base-Base interactions energy: -143.082
where: short stacking energy: -76.176
Base-Backbone interact. energy: 3.014
local terms energy: -99.973360
where:
bonds (distance) C4'-P energy: -21.152
bonds (distance) P-C4' energy: -24.466
flat angles C4'-P-C4' energy: -22.446
flat angles P-C4'-P energy: -17.544
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -166.257089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.257089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.257089 (E_RNA)
where:
Base-Base interactions energy: -85.732
where: short stacking energy: -43.393
Base-Backbone interact. energy: -0.389
local terms energy: -90.136347
where:
bonds (distance) C4'-P energy: -22.709
bonds (distance) P-C4' energy: -27.757
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -5.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -176.129480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.129480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.129480 (E_RNA)
where:
Base-Base interactions energy: -92.740
where: short stacking energy: -55.461
Base-Backbone interact. energy: 0.178
local terms energy: -93.567375
where:
bonds (distance) C4'-P energy: -23.025
bonds (distance) P-C4' energy: -27.286
flat angles C4'-P-C4' energy: -25.566
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -115.077282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.077282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.077282 (E_RNA)
where:
Base-Base interactions energy: -34.783
where: short stacking energy: -34.176
Base-Backbone interact. energy: -0.218
local terms energy: -90.076761
where:
bonds (distance) C4'-P energy: -25.339
bonds (distance) P-C4' energy: -24.704
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -18.872
tors. eta vs tors. theta energy: -0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -493.622478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.622478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.622478 (E_RNA)
where:
Base-Base interactions energy: -355.861
where: short stacking energy: -152.820
Base-Backbone interact. energy: -1.045
local terms energy: -146.716466
where:
bonds (distance) C4'-P energy: -26.280
bonds (distance) P-C4' energy: -23.101
flat angles C4'-P-C4' energy: -28.854
flat angles P-C4'-P energy: -22.970
tors. eta vs tors. theta energy: -45.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -443.483014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.483014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.483014 (E_RNA)
where:
Base-Base interactions energy: -306.927
where: short stacking energy: -139.270
Base-Backbone interact. energy: 0.247
local terms energy: -146.802723
where:
bonds (distance) C4'-P energy: -29.790
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -26.637
flat angles P-C4'-P energy: -24.188
tors. eta vs tors. theta energy: -41.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -431.868993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.868993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.868993 (E_RNA)
where:
Base-Base interactions energy: -298.353
where: short stacking energy: -136.050
Base-Backbone interact. energy: 2.304
local terms energy: -145.819397
where:
bonds (distance) C4'-P energy: -29.714
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -27.998
flat angles P-C4'-P energy: -20.872
tors. eta vs tors. theta energy: -40.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -410.531758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.531758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.531758 (E_RNA)
where:
Base-Base interactions energy: -291.718
where: short stacking energy: -122.953
Base-Backbone interact. energy: 1.519
local terms energy: -130.332788
where:
bonds (distance) C4'-P energy: -21.244
bonds (distance) P-C4' energy: -26.270
flat angles C4'-P-C4' energy: -24.517
flat angles P-C4'-P energy: -21.352
tors. eta vs tors. theta energy: -36.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -349.165957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.165957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.165957 (E_RNA)
where:
Base-Base interactions energy: -237.134
where: short stacking energy: -101.997
Base-Backbone interact. energy: -0.474
local terms energy: -121.558745
where:
bonds (distance) C4'-P energy: -24.208
bonds (distance) P-C4' energy: -22.584
flat angles C4'-P-C4' energy: -28.058
flat angles P-C4'-P energy: -20.854
tors. eta vs tors. theta energy: -25.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -292.955331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.955331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.955331 (E_RNA)
where:
Base-Base interactions energy: -191.985
where: short stacking energy: -92.566
Base-Backbone interact. energy: -1.267
local terms energy: -109.703330
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -26.731
flat angles C4'-P-C4' energy: -27.555
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -18.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -230.570804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.570804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.570804 (E_RNA)
where:
Base-Base interactions energy: -136.093
where: short stacking energy: -71.181
Base-Backbone interact. energy: -0.119
local terms energy: -104.359268
where:
bonds (distance) C4'-P energy: -20.901
bonds (distance) P-C4' energy: -27.649
flat angles C4'-P-C4' energy: -25.605
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -166.885554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.885554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.885554 (E_RNA)
where:
Base-Base interactions energy: -77.954
where: short stacking energy: -54.472
Base-Backbone interact. energy: -0.319
local terms energy: -98.613204
where:
bonds (distance) C4'-P energy: -27.665
bonds (distance) P-C4' energy: -29.557
flat angles C4'-P-C4' energy: -22.879
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -4.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -183.607400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.607400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.607400 (E_RNA)
where:
Base-Base interactions energy: -104.735
where: short stacking energy: -49.431
Base-Backbone interact. energy: -0.239
local terms energy: -88.633931
where:
bonds (distance) C4'-P energy: -28.860
bonds (distance) P-C4' energy: -23.132
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -7.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -122.778695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.778695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.778695 (E_RNA)
where:
Base-Base interactions energy: -64.556
where: short stacking energy: -42.597
Base-Backbone interact. energy: -0.369
local terms energy: -67.854094
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -1.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -498.614142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.614142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.614142 (E_RNA)
where:
Base-Base interactions energy: -356.241
where: short stacking energy: -153.993
Base-Backbone interact. energy: -0.186
local terms energy: -152.187393
where:
bonds (distance) C4'-P energy: -27.531
bonds (distance) P-C4' energy: -25.017
flat angles C4'-P-C4' energy: -33.194
flat angles P-C4'-P energy: -22.642
tors. eta vs tors. theta energy: -43.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -442.343616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.343616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.343616 (E_RNA)
where:
Base-Base interactions energy: -310.588
where: short stacking energy: -136.648
Base-Backbone interact. energy: -0.376
local terms energy: -141.379287
where:
bonds (distance) C4'-P energy: -30.883
bonds (distance) P-C4' energy: -21.258
flat angles C4'-P-C4' energy: -28.397
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -44.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -429.812377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.812377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.812377 (E_RNA)
where:
Base-Base interactions energy: -300.332
where: short stacking energy: -132.186
Base-Backbone interact. energy: -0.054
local terms energy: -139.426889
where:
bonds (distance) C4'-P energy: -28.500
bonds (distance) P-C4' energy: -29.630
flat angles C4'-P-C4' energy: -26.598
flat angles P-C4'-P energy: -17.022
tors. eta vs tors. theta energy: -37.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -346.025452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.025452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.025452 (E_RNA)
where:
Base-Base interactions energy: -234.460
where: short stacking energy: -111.666
Base-Backbone interact. energy: 0.392
local terms energy: -121.956988
where:
bonds (distance) C4'-P energy: -19.977
bonds (distance) P-C4' energy: -23.639
flat angles C4'-P-C4' energy: -27.131
flat angles P-C4'-P energy: -19.248
tors. eta vs tors. theta energy: -31.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -404.042819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.042819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.042819 (E_RNA)
where:
Base-Base interactions energy: -281.112
where: short stacking energy: -112.453
Base-Backbone interact. energy: -0.319
local terms energy: -132.612095
where:
bonds (distance) C4'-P energy: -23.402
bonds (distance) P-C4' energy: -27.257
flat angles C4'-P-C4' energy: -28.979
flat angles P-C4'-P energy: -21.005
tors. eta vs tors. theta energy: -31.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -300.701729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.701729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.701729 (E_RNA)
where:
Base-Base interactions energy: -182.269
where: short stacking energy: -91.931
Base-Backbone interact. energy: -0.128
local terms energy: -128.304803
where:
bonds (distance) C4'-P energy: -25.886
bonds (distance) P-C4' energy: -29.646
flat angles C4'-P-C4' energy: -29.112
flat angles P-C4'-P energy: -18.989
tors. eta vs tors. theta energy: -24.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -224.392774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.392774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.392774 (E_RNA)
where:
Base-Base interactions energy: -132.364
where: short stacking energy: -80.278
Base-Backbone interact. energy: -0.444
local terms energy: -101.585103
where:
bonds (distance) C4'-P energy: -28.715
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -24.714
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -15.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -221.564601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.564601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.564601 (E_RNA)
where:
Base-Base interactions energy: -143.812
where: short stacking energy: -81.255
Base-Backbone interact. energy: -1.143
local terms energy: -86.609683
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -15.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -131.976228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.976228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.976228 (E_RNA)
where:
Base-Base interactions energy: -55.687
where: short stacking energy: -49.893
Base-Backbone interact. energy: 0.736
local terms energy: -87.025408
where:
bonds (distance) C4'-P energy: -24.177
bonds (distance) P-C4' energy: -23.599
flat angles C4'-P-C4' energy: -25.937
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -125.964935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.964935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.964935 (E_RNA)
where:
Base-Base interactions energy: -47.572
where: short stacking energy: -44.138
Base-Backbone interact. energy: -0.179
local terms energy: -88.213409
where:
bonds (distance) C4'-P energy: -20.454
bonds (distance) P-C4' energy: -30.022
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -5.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -504.098608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.098608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.098608 (E_RNA)
where:
Base-Base interactions energy: -365.226
where: short stacking energy: -160.992
Base-Backbone interact. energy: -1.979
local terms energy: -146.894108
where:
bonds (distance) C4'-P energy: -23.144
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -32.818
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: -43.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -443.370612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.370612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.370612 (E_RNA)
where:
Base-Base interactions energy: -311.196
where: short stacking energy: -139.057
Base-Backbone interact. energy: -0.448
local terms energy: -141.726586
where:
bonds (distance) C4'-P energy: -28.443
bonds (distance) P-C4' energy: -24.604
flat angles C4'-P-C4' energy: -31.930
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -41.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -413.631680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.631680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.631680 (E_RNA)
where:
Base-Base interactions energy: -287.702
where: short stacking energy: -127.403
Base-Backbone interact. energy: -0.182
local terms energy: -135.747656
where:
bonds (distance) C4'-P energy: -30.066
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -25.632
flat angles P-C4'-P energy: -19.433
tors. eta vs tors. theta energy: -40.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -354.603510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.603510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.603510 (E_RNA)
where:
Base-Base interactions energy: -248.774
where: short stacking energy: -112.134
Base-Backbone interact. energy: 1.143
local terms energy: -116.972328
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -26.820
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -28.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -380.261106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.261106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.261106 (E_RNA)
where:
Base-Base interactions energy: -275.003
where: short stacking energy: -102.797
Base-Backbone interact. energy: 0.804
local terms energy: -116.062904
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -26.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -302.154830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.154830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -312.154830 (E_RNA)
where:
Base-Base interactions energy: -197.816
where: short stacking energy: -92.605
Base-Backbone interact. energy: -0.294
local terms energy: -114.044811
where:
bonds (distance) C4'-P energy: -24.330
bonds (distance) P-C4' energy: -24.019
flat angles C4'-P-C4' energy: -26.791
flat angles P-C4'-P energy: -16.943
tors. eta vs tors. theta energy: -21.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -235.432462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.432462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.432462 (E_RNA)
where:
Base-Base interactions energy: -149.656
where: short stacking energy: -81.849
Base-Backbone interact. energy: -0.952
local terms energy: -94.824057
where:
bonds (distance) C4'-P energy: -27.433
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -20.369
tors. eta vs tors. theta energy: -14.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -239.202164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.202164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.202164 (E_RNA)
where:
Base-Base interactions energy: -134.454
where: short stacking energy: -67.112
Base-Backbone interact. energy: 0.200
local terms energy: -114.948315
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -29.381
flat angles C4'-P-C4' energy: -25.680
flat angles P-C4'-P energy: -17.787
tors. eta vs tors. theta energy: -17.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -131.563220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.563220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.563220 (E_RNA)
where:
Base-Base interactions energy: -52.122
where: short stacking energy: -52.122
Base-Backbone interact. energy: -0.342
local terms energy: -89.098583
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -28.725
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -8.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -128.217809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.217809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.217809 (E_RNA)
where:
Base-Base interactions energy: -76.179
where: short stacking energy: -44.395
Base-Backbone interact. energy: 0.042
local terms energy: -62.081584
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -27.458
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -2.014
tors. eta vs tors. theta energy: 5.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -492.743563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.743563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.743563 (E_RNA)
where:
Base-Base interactions energy: -354.648
where: short stacking energy: -145.927
Base-Backbone interact. energy: -0.014
local terms energy: -148.080760
where:
bonds (distance) C4'-P energy: -26.469
bonds (distance) P-C4' energy: -27.338
flat angles C4'-P-C4' energy: -33.923
flat angles P-C4'-P energy: -18.467
tors. eta vs tors. theta energy: -41.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -454.240865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.240865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.240865 (E_RNA)
where:
Base-Base interactions energy: -315.834
where: short stacking energy: -135.470
Base-Backbone interact. energy: -0.176
local terms energy: -148.231396
where:
bonds (distance) C4'-P energy: -27.889
bonds (distance) P-C4' energy: -28.532
flat angles C4'-P-C4' energy: -31.366
flat angles P-C4'-P energy: -18.217
tors. eta vs tors. theta energy: -42.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -447.313516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.313516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.313516 (E_RNA)
where:
Base-Base interactions energy: -322.180
where: short stacking energy: -122.603
Base-Backbone interact. energy: -0.052
local terms energy: -135.081330
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -28.888
flat angles C4'-P-C4' energy: -30.603
flat angles P-C4'-P energy: -19.376
tors. eta vs tors. theta energy: -35.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -411.258014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.258014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.258014 (E_RNA)
where:
Base-Base interactions energy: -303.107
where: short stacking energy: -120.416
Base-Backbone interact. energy: 0.670
local terms energy: -118.821351
where:
bonds (distance) C4'-P energy: -23.308
bonds (distance) P-C4' energy: -22.439
flat angles C4'-P-C4' energy: -26.357
flat angles P-C4'-P energy: -18.675
tors. eta vs tors. theta energy: -28.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -349.234863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.234863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.234863 (E_RNA)
where:
Base-Base interactions energy: -232.079
where: short stacking energy: -114.211
Base-Backbone interact. energy: 0.891
local terms energy: -128.046466
where:
bonds (distance) C4'-P energy: -25.422
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -26.313
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: -34.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -292.847014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.847014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.847014 (E_RNA)
where:
Base-Base interactions energy: -204.362
where: short stacking energy: -87.526
Base-Backbone interact. energy: -0.720
local terms energy: -97.765206
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -22.995
flat angles C4'-P-C4' energy: -24.333
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -18.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -245.155568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.155568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.155568 (E_RNA)
where:
Base-Base interactions energy: -167.524
where: short stacking energy: -59.931
Base-Backbone interact. energy: -0.563
local terms energy: -87.067756
where:
bonds (distance) C4'-P energy: -19.700
bonds (distance) P-C4' energy: -28.867
flat angles C4'-P-C4' energy: -21.945
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -245.903802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.903802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.903802 (E_RNA)
where:
Base-Base interactions energy: -163.181
where: short stacking energy: -84.186
Base-Backbone interact. energy: 2.494
local terms energy: -95.216574
where:
bonds (distance) C4'-P energy: -17.896
bonds (distance) P-C4' energy: -25.585
flat angles C4'-P-C4' energy: -21.454
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -18.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -138.914672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.914672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.914672 (E_RNA)
where:
Base-Base interactions energy: -59.170
where: short stacking energy: -57.903
Base-Backbone interact. energy: 0.812
local terms energy: -90.556908
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -21.408
flat angles C4'-P-C4' energy: -21.835
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -120.834697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.834697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.834697 (E_RNA)
where:
Base-Base interactions energy: -58.075
where: short stacking energy: -44.213
Base-Backbone interact. energy: 1.020
local terms energy: -73.779745
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -22.138
flat angles C4'-P-C4' energy: -21.449
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: 5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -494.307355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.307355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.307355 (E_RNA)
where:
Base-Base interactions energy: -347.353
where: short stacking energy: -146.819
Base-Backbone interact. energy: -0.030
local terms energy: -156.924420
where:
bonds (distance) C4'-P energy: -29.503
bonds (distance) P-C4' energy: -29.468
flat angles C4'-P-C4' energy: -32.206
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -43.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -449.920959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.920959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.920959 (E_RNA)
where:
Base-Base interactions energy: -312.576
where: short stacking energy: -140.304
Base-Backbone interact. energy: -0.371
local terms energy: -146.974086
where:
bonds (distance) C4'-P energy: -24.217
bonds (distance) P-C4' energy: -26.287
flat angles C4'-P-C4' energy: -30.585
flat angles P-C4'-P energy: -22.338
tors. eta vs tors. theta energy: -43.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -448.577424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.577424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.577424 (E_RNA)
where:
Base-Base interactions energy: -314.870
where: short stacking energy: -139.996
Base-Backbone interact. energy: -0.102
local terms energy: -143.605390
where:
bonds (distance) C4'-P energy: -29.019
bonds (distance) P-C4' energy: -23.972
flat angles C4'-P-C4' energy: -28.688
flat angles P-C4'-P energy: -21.270
tors. eta vs tors. theta energy: -40.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -418.707748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.707748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.707748 (E_RNA)
where:
Base-Base interactions energy: -301.445
where: short stacking energy: -123.834
Base-Backbone interact. energy: 1.483
local terms energy: -128.746277
where:
bonds (distance) C4'-P energy: -24.487
bonds (distance) P-C4' energy: -28.259
flat angles C4'-P-C4' energy: -23.402
flat angles P-C4'-P energy: -19.910
tors. eta vs tors. theta energy: -32.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -326.679804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.679804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.679804 (E_RNA)
where:
Base-Base interactions energy: -223.934
where: short stacking energy: -101.200
Base-Backbone interact. energy: 0.333
local terms energy: -113.078774
where:
bonds (distance) C4'-P energy: -26.637
bonds (distance) P-C4' energy: -24.684
flat angles C4'-P-C4' energy: -24.554
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -28.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -310.929015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -310.929015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.929015 (E_RNA)
where:
Base-Base interactions energy: -197.308
where: short stacking energy: -99.375
Base-Backbone interact. energy: -0.250
local terms energy: -123.370741
where:
bonds (distance) C4'-P energy: -25.280
bonds (distance) P-C4' energy: -28.408
flat angles C4'-P-C4' energy: -25.191
flat angles P-C4'-P energy: -19.508
tors. eta vs tors. theta energy: -24.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -249.739283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.739283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.739283 (E_RNA)
where:
Base-Base interactions energy: -163.439
where: short stacking energy: -76.138
Base-Backbone interact. energy: 0.417
local terms energy: -96.717027
where:
bonds (distance) C4'-P energy: -23.434
bonds (distance) P-C4' energy: -24.593
flat angles C4'-P-C4' energy: -24.389
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -13.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -250.693066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.693066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.693066 (E_RNA)
where:
Base-Base interactions energy: -153.398
where: short stacking energy: -79.764
Base-Backbone interact. energy: -0.757
local terms energy: -106.537530
where:
bonds (distance) C4'-P energy: -22.189
bonds (distance) P-C4' energy: -26.141
flat angles C4'-P-C4' energy: -22.425
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -15.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -123.623780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.623780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.623780 (E_RNA)
where:
Base-Base interactions energy: -47.176
where: short stacking energy: -37.130
Base-Backbone interact. energy: -0.463
local terms energy: -85.985101
where:
bonds (distance) C4'-P energy: -20.131
bonds (distance) P-C4' energy: -26.096
flat angles C4'-P-C4' energy: -22.943
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: -0.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -120.950372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.950372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.950372 (E_RNA)
where:
Base-Base interactions energy: -64.759
where: short stacking energy: -37.571
Base-Backbone interact. energy: 1.810
local terms energy: -68.001757
where:
bonds (distance) C4'-P energy: -24.727
bonds (distance) P-C4' energy: -26.800
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: 7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -495.584856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.584856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.584856 (E_RNA)
where:
Base-Base interactions energy: -356.240
where: short stacking energy: -149.727
Base-Backbone interact. energy: -0.680
local terms energy: -148.664896
where:
bonds (distance) C4'-P energy: -30.020
bonds (distance) P-C4' energy: -20.335
flat angles C4'-P-C4' energy: -31.780
flat angles P-C4'-P energy: -23.116
tors. eta vs tors. theta energy: -43.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -476.608962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.608962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.608962 (E_RNA)
where:
Base-Base interactions energy: -346.156
where: short stacking energy: -147.601
Base-Backbone interact. energy: -0.890
local terms energy: -139.562897
where:
bonds (distance) C4'-P energy: -26.974
bonds (distance) P-C4' energy: -26.697
flat angles C4'-P-C4' energy: -26.091
flat angles P-C4'-P energy: -18.224
tors. eta vs tors. theta energy: -41.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -425.303137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.303137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.303137 (E_RNA)
where:
Base-Base interactions energy: -290.342
where: short stacking energy: -127.941
Base-Backbone interact. energy: -0.013
local terms energy: -144.948350
where:
bonds (distance) C4'-P energy: -25.896
bonds (distance) P-C4' energy: -28.361
flat angles C4'-P-C4' energy: -27.019
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -40.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -425.491737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.491737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.491737 (E_RNA)
where:
Base-Base interactions energy: -308.203
where: short stacking energy: -129.024
Base-Backbone interact. energy: -0.203
local terms energy: -127.086016
where:
bonds (distance) C4'-P energy: -24.591
bonds (distance) P-C4' energy: -24.644
flat angles C4'-P-C4' energy: -28.832
flat angles P-C4'-P energy: -17.811
tors. eta vs tors. theta energy: -31.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -351.839689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.839689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.839689 (E_RNA)
where:
Base-Base interactions energy: -241.973
where: short stacking energy: -105.153
Base-Backbone interact. energy: -0.523
local terms energy: -119.344011
where:
bonds (distance) C4'-P energy: -21.701
bonds (distance) P-C4' energy: -25.615
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -35.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -329.531423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.531423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.531423 (E_RNA)
where:
Base-Base interactions energy: -233.217
where: short stacking energy: -105.761
Base-Backbone interact. energy: 0.864
local terms energy: -107.178861
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -28.409
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -24.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -264.479251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.479251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.479251 (E_RNA)
where:
Base-Base interactions energy: -161.478
where: short stacking energy: -75.518
Base-Backbone interact. energy: -0.186
local terms energy: -112.816177
where:
bonds (distance) C4'-P energy: -25.241
bonds (distance) P-C4' energy: -25.356
flat angles C4'-P-C4' energy: -26.747
flat angles P-C4'-P energy: -17.638
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -237.112950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.112950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.112950 (E_RNA)
where:
Base-Base interactions energy: -147.482
where: short stacking energy: -82.295
Base-Backbone interact. energy: 0.007
local terms energy: -99.637798
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -21.443
flat angles C4'-P-C4' energy: -26.896
flat angles P-C4'-P energy: -10.796
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -128.007884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.007884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.007884 (E_RNA)
where:
Base-Base interactions energy: -60.977
where: short stacking energy: -60.977
Base-Backbone interact. energy: -0.387
local terms energy: -76.643608
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -30.734
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -8.440
tors. eta vs tors. theta energy: -4.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -116.942157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.942157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.942157 (E_RNA)
where:
Base-Base interactions energy: -46.419
where: short stacking energy: -34.473
Base-Backbone interact. energy: -0.302
local terms energy: -80.220986
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -4.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -482.128089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.128089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.128089 (E_RNA)
where:
Base-Base interactions energy: -353.633
where: short stacking energy: -150.339
Base-Backbone interact. energy: -0.007
local terms energy: -138.488091
where:
bonds (distance) C4'-P energy: -24.523
bonds (distance) P-C4' energy: -25.348
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -43.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -494.168607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.168607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.168607 (E_RNA)
where:
Base-Base interactions energy: -347.349
where: short stacking energy: -143.446
Base-Backbone interact. energy: -0.002
local terms energy: -156.817833
where:
bonds (distance) C4'-P energy: -27.867
bonds (distance) P-C4' energy: -27.526
flat angles C4'-P-C4' energy: -29.216
flat angles P-C4'-P energy: -24.257
tors. eta vs tors. theta energy: -47.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -444.067136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.067136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.067136 (E_RNA)
where:
Base-Base interactions energy: -304.354
where: short stacking energy: -134.118
Base-Backbone interact. energy: -0.152
local terms energy: -149.561115
where:
bonds (distance) C4'-P energy: -24.965
bonds (distance) P-C4' energy: -28.456
flat angles C4'-P-C4' energy: -28.150
flat angles P-C4'-P energy: -24.030
tors. eta vs tors. theta energy: -43.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -405.073837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.073837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.073837 (E_RNA)
where:
Base-Base interactions energy: -288.114
where: short stacking energy: -108.161
Base-Backbone interact. energy: -0.945
local terms energy: -126.014301
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -28.166
flat angles P-C4'-P energy: -23.970
tors. eta vs tors. theta energy: -31.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -347.822600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.822600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.822600 (E_RNA)
where:
Base-Base interactions energy: -231.573
where: short stacking energy: -107.779
Base-Backbone interact. energy: 1.074
local terms energy: -127.323085
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -25.027
flat angles C4'-P-C4' energy: -30.549
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: -33.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -332.322935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.322935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.322935 (E_RNA)
where:
Base-Base interactions energy: -223.028
where: short stacking energy: -98.675
Base-Backbone interact. energy: 1.503
local terms energy: -120.797955
where:
bonds (distance) C4'-P energy: -23.793
bonds (distance) P-C4' energy: -24.669
flat angles C4'-P-C4' energy: -25.748
flat angles P-C4'-P energy: -17.685
tors. eta vs tors. theta energy: -28.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -305.750531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.750531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.750531 (E_RNA)
where:
Base-Base interactions energy: -204.381
where: short stacking energy: -95.343
Base-Backbone interact. energy: -0.051
local terms energy: -111.318887
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -29.961
flat angles C4'-P-C4' energy: -28.391
flat angles P-C4'-P energy: -16.514
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -208.759601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.759601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.759601 (E_RNA)
where:
Base-Base interactions energy: -123.065
where: short stacking energy: -68.420
Base-Backbone interact. energy: -0.139
local terms energy: -95.555746
where:
bonds (distance) C4'-P energy: -18.061
bonds (distance) P-C4' energy: -24.101
flat angles C4'-P-C4' energy: -21.960
flat angles P-C4'-P energy: -14.798
tors. eta vs tors. theta energy: -16.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -125.849016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.849016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.849016 (E_RNA)
where:
Base-Base interactions energy: -57.877
where: short stacking energy: -47.438
Base-Backbone interact. energy: -0.590
local terms energy: -77.382704
where:
bonds (distance) C4'-P energy: -25.813
bonds (distance) P-C4' energy: -20.625
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -3.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -123.155137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.155137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.155137 (E_RNA)
where:
Base-Base interactions energy: -72.557
where: short stacking energy: -43.929
Base-Backbone interact. energy: -1.015
local terms energy: -59.582864
where:
bonds (distance) C4'-P energy: -23.479
bonds (distance) P-C4' energy: -24.196
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: 9.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -487.413340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.413340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.413340 (E_RNA)
where:
Base-Base interactions energy: -352.287
where: short stacking energy: -143.746
Base-Backbone interact. energy: -0.034
local terms energy: -145.092134
where:
bonds (distance) C4'-P energy: -29.996
bonds (distance) P-C4' energy: -31.487
flat angles C4'-P-C4' energy: -26.588
flat angles P-C4'-P energy: -18.083
tors. eta vs tors. theta energy: -38.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -490.134647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.134647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.134647 (E_RNA)
where:
Base-Base interactions energy: -344.817
where: short stacking energy: -147.315
Base-Backbone interact. energy: -0.054
local terms energy: -155.263605
where:
bonds (distance) C4'-P energy: -28.025
bonds (distance) P-C4' energy: -24.724
flat angles C4'-P-C4' energy: -31.769
flat angles P-C4'-P energy: -24.173
tors. eta vs tors. theta energy: -46.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -422.864936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.864936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.864936 (E_RNA)
where:
Base-Base interactions energy: -295.009
where: short stacking energy: -128.813
Base-Backbone interact. energy: 0.727
local terms energy: -138.582756
where:
bonds (distance) C4'-P energy: -26.137
bonds (distance) P-C4' energy: -30.495
flat angles C4'-P-C4' energy: -24.346
flat angles P-C4'-P energy: -17.621
tors. eta vs tors. theta energy: -39.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -393.394919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.394919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.394919 (E_RNA)
where:
Base-Base interactions energy: -280.453
where: short stacking energy: -109.522
Base-Backbone interact. energy: -1.223
local terms energy: -121.719113
where:
bonds (distance) C4'-P energy: -20.745
bonds (distance) P-C4' energy: -27.173
flat angles C4'-P-C4' energy: -29.552
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -26.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -348.059562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.059562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.059562 (E_RNA)
where:
Base-Base interactions energy: -231.143
where: short stacking energy: -104.706
Base-Backbone interact. energy: -0.313
local terms energy: -126.603307
where:
bonds (distance) C4'-P energy: -24.121
bonds (distance) P-C4' energy: -23.501
flat angles C4'-P-C4' energy: -32.013
flat angles P-C4'-P energy: -18.897
tors. eta vs tors. theta energy: -28.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -338.126379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.126379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.126379 (E_RNA)
where:
Base-Base interactions energy: -222.153
where: short stacking energy: -101.442
Base-Backbone interact. energy: -0.781
local terms energy: -125.193068
where:
bonds (distance) C4'-P energy: -24.813
bonds (distance) P-C4' energy: -30.889
flat angles C4'-P-C4' energy: -26.682
flat angles P-C4'-P energy: -14.738
tors. eta vs tors. theta energy: -28.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -327.614731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.614731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.614731 (E_RNA)
where:
Base-Base interactions energy: -212.549
where: short stacking energy: -93.034
Base-Backbone interact. energy: -0.288
local terms energy: -124.777369
where:
bonds (distance) C4'-P energy: -25.505
bonds (distance) P-C4' energy: -29.294
flat angles C4'-P-C4' energy: -27.712
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -22.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -202.634768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.634768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.634768 (E_RNA)
where:
Base-Base interactions energy: -110.916
where: short stacking energy: -55.546
Base-Backbone interact. energy: 1.912
local terms energy: -103.630325
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -32.673
flat angles C4'-P-C4' energy: -28.628
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -7.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -139.515956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.515956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.515956 (E_RNA)
where:
Base-Base interactions energy: -56.453
where: short stacking energy: -51.054
Base-Backbone interact. energy: -0.252
local terms energy: -92.811167
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -20.922
flat angles P-C4'-P energy: -17.763
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -114.616352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.616352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.616352 (E_RNA)
where:
Base-Base interactions energy: -54.810
where: short stacking energy: -35.105
Base-Backbone interact. energy: 0.744
local terms energy: -70.550348
where:
bonds (distance) C4'-P energy: -22.392
bonds (distance) P-C4' energy: -24.939
flat angles C4'-P-C4' energy: -15.845
flat angles P-C4'-P energy: -7.148
tors. eta vs tors. theta energy: -0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -490.093801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.093801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.093801 (E_RNA)
where:
Base-Base interactions energy: -346.210
where: short stacking energy: -144.015
Base-Backbone interact. energy: -0.346
local terms energy: -153.537639
where:
bonds (distance) C4'-P energy: -29.913
bonds (distance) P-C4' energy: -25.874
flat angles C4'-P-C4' energy: -24.770
flat angles P-C4'-P energy: -24.862
tors. eta vs tors. theta energy: -48.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -479.962959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.962959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.962959 (E_RNA)
where:
Base-Base interactions energy: -355.979
where: short stacking energy: -151.758
Base-Backbone interact. energy: -0.097
local terms energy: -133.887746
where:
bonds (distance) C4'-P energy: -22.474
bonds (distance) P-C4' energy: -27.627
flat angles C4'-P-C4' energy: -26.840
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: -41.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -435.263411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.263411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.263411 (E_RNA)
where:
Base-Base interactions energy: -303.928
where: short stacking energy: -137.952
Base-Backbone interact. energy: -0.912
local terms energy: -140.423475
where:
bonds (distance) C4'-P energy: -21.889
bonds (distance) P-C4' energy: -25.590
flat angles C4'-P-C4' energy: -30.427
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -43.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -400.642644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.642644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.642644 (E_RNA)
where:
Base-Base interactions energy: -282.009
where: short stacking energy: -109.008
Base-Backbone interact. energy: 1.460
local terms energy: -130.093980
where:
bonds (distance) C4'-P energy: -26.235
bonds (distance) P-C4' energy: -32.603
flat angles C4'-P-C4' energy: -30.460
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -30.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -373.506765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.506765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.506765 (E_RNA)
where:
Base-Base interactions energy: -250.213
where: short stacking energy: -114.957
Base-Backbone interact. energy: -0.531
local terms energy: -132.763213
where:
bonds (distance) C4'-P energy: -21.926
bonds (distance) P-C4' energy: -29.743
flat angles C4'-P-C4' energy: -30.077
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -34.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -312.822889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.822889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.822889 (E_RNA)
where:
Base-Base interactions energy: -211.355
where: short stacking energy: -98.317
Base-Backbone interact. energy: -0.373
local terms energy: -111.094791
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -22.180
flat angles C4'-P-C4' energy: -30.559
flat angles P-C4'-P energy: -20.656
tors. eta vs tors. theta energy: -19.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -338.148742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.148742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.148742 (E_RNA)
where:
Base-Base interactions energy: -230.835
where: short stacking energy: -104.662
Base-Backbone interact. energy: -0.160
local terms energy: -117.153882
where:
bonds (distance) C4'-P energy: -22.908
bonds (distance) P-C4' energy: -28.380
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -16.097
tors. eta vs tors. theta energy: -27.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -160.376337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.376337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.376337 (E_RNA)
where:
Base-Base interactions energy: -79.950
where: short stacking energy: -51.766
Base-Backbone interact. energy: -0.066
local terms energy: -90.360429
where:
bonds (distance) C4'-P energy: -24.701
bonds (distance) P-C4' energy: -28.303
flat angles C4'-P-C4' energy: -19.503
flat angles P-C4'-P energy: -19.175
tors. eta vs tors. theta energy: 1.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -127.812203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.812203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.812203 (E_RNA)
where:
Base-Base interactions energy: -72.795
where: short stacking energy: -44.744
Base-Backbone interact. energy: 0.680
local terms energy: -65.696497
where:
bonds (distance) C4'-P energy: -21.352
bonds (distance) P-C4' energy: -23.869
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: 7.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -120.035425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.035425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.035425 (E_RNA)
where:
Base-Base interactions energy: -47.381
where: short stacking energy: -35.470
Base-Backbone interact. energy: -0.152
local terms energy: -82.502498
where:
bonds (distance) C4'-P energy: -25.247
bonds (distance) P-C4' energy: -23.670
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: 3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -493.298794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.298794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.298794 (E_RNA)
where:
Base-Base interactions energy: -351.850
where: short stacking energy: -150.441
Base-Backbone interact. energy: -0.089
local terms energy: -151.359977
where:
bonds (distance) C4'-P energy: -25.203
bonds (distance) P-C4' energy: -27.740
flat angles C4'-P-C4' energy: -28.926
flat angles P-C4'-P energy: -23.288
tors. eta vs tors. theta energy: -46.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -475.796088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.796088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.796088 (E_RNA)
where:
Base-Base interactions energy: -348.051
where: short stacking energy: -145.009
Base-Backbone interact. energy: -0.155
local terms energy: -137.589472
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -27.126
flat angles C4'-P-C4' energy: -28.374
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -41.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -439.633646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.633646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.633646 (E_RNA)
where:
Base-Base interactions energy: -303.042
where: short stacking energy: -132.021
Base-Backbone interact. energy: -0.091
local terms energy: -146.501366
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -31.701
flat angles P-C4'-P energy: -22.909
tors. eta vs tors. theta energy: -41.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -391.283683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.283683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.283683 (E_RNA)
where:
Base-Base interactions energy: -268.321
where: short stacking energy: -100.898
Base-Backbone interact. energy: -0.373
local terms energy: -132.589059
where:
bonds (distance) C4'-P energy: -28.760
bonds (distance) P-C4' energy: -28.266
flat angles C4'-P-C4' energy: -30.233
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -27.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -379.789895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.789895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.789895 (E_RNA)
where:
Base-Base interactions energy: -253.137
where: short stacking energy: -120.554
Base-Backbone interact. energy: -0.321
local terms energy: -136.331207
where:
bonds (distance) C4'-P energy: -22.942
bonds (distance) P-C4' energy: -31.999
flat angles C4'-P-C4' energy: -27.329
flat angles P-C4'-P energy: -21.041
tors. eta vs tors. theta energy: -33.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -336.035412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.035412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.035412 (E_RNA)
where:
Base-Base interactions energy: -221.831
where: short stacking energy: -107.959
Base-Backbone interact. energy: -0.063
local terms energy: -124.141229
where:
bonds (distance) C4'-P energy: -25.602
bonds (distance) P-C4' energy: -25.948
flat angles C4'-P-C4' energy: -28.358
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -26.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -300.228658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.228658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.228658 (E_RNA)
where:
Base-Base interactions energy: -199.620
where: short stacking energy: -104.103
Base-Backbone interact. energy: 0.320
local terms energy: -110.928700
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -25.219
flat angles C4'-P-C4' energy: -28.461
flat angles P-C4'-P energy: -16.646
tors. eta vs tors. theta energy: -26.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -140.321253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.321253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.321253 (E_RNA)
where:
Base-Base interactions energy: -66.278
where: short stacking energy: -53.917
Base-Backbone interact. energy: -0.573
local terms energy: -83.470721
where:
bonds (distance) C4'-P energy: -20.710
bonds (distance) P-C4' energy: -29.707
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -14.745
tors. eta vs tors. theta energy: 1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -125.656339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.656339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.656339 (E_RNA)
where:
Base-Base interactions energy: -45.727
where: short stacking energy: -38.130
Base-Backbone interact. energy: -1.417
local terms energy: -88.512007
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -16.926
tors. eta vs tors. theta energy: -0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -120.861275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.861275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.861275 (E_RNA)
where:
Base-Base interactions energy: -42.808
where: short stacking energy: -38.223
Base-Backbone interact. energy: -0.372
local terms energy: -87.680452
where:
bonds (distance) C4'-P energy: -27.181
bonds (distance) P-C4' energy: -28.146
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -16.055
tors. eta vs tors. theta energy: 1.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -495.138978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.138978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.138978 (E_RNA)
where:
Base-Base interactions energy: -350.500
where: short stacking energy: -147.867
Base-Backbone interact. energy: -0.642
local terms energy: -153.997582
where:
bonds (distance) C4'-P energy: -25.866
bonds (distance) P-C4' energy: -26.934
flat angles C4'-P-C4' energy: -30.786
flat angles P-C4'-P energy: -25.283
tors. eta vs tors. theta energy: -45.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -480.043613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.043613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.043613 (E_RNA)
where:
Base-Base interactions energy: -344.652
where: short stacking energy: -148.511
Base-Backbone interact. energy: -0.017
local terms energy: -145.374783
where:
bonds (distance) C4'-P energy: -23.576
bonds (distance) P-C4' energy: -30.509
flat angles C4'-P-C4' energy: -27.197
flat angles P-C4'-P energy: -19.323
tors. eta vs tors. theta energy: -44.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -443.043275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.043275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.043275 (E_RNA)
where:
Base-Base interactions energy: -306.681
where: short stacking energy: -130.913
Base-Backbone interact. energy: -0.134
local terms energy: -146.228314
where:
bonds (distance) C4'-P energy: -27.794
bonds (distance) P-C4' energy: -28.379
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -44.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -370.206383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.206383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.206383 (E_RNA)
where:
Base-Base interactions energy: -255.414
where: short stacking energy: -90.778
Base-Backbone interact. energy: -0.142
local terms energy: -124.650508
where:
bonds (distance) C4'-P energy: -26.635
bonds (distance) P-C4' energy: -28.188
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -19.316
tors. eta vs tors. theta energy: -28.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -363.054072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.054072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.054072 (E_RNA)
where:
Base-Base interactions energy: -253.943
where: short stacking energy: -110.636
Base-Backbone interact. energy: 0.059
local terms energy: -119.170155
where:
bonds (distance) C4'-P energy: -23.176
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -26.271
flat angles P-C4'-P energy: -19.946
tors. eta vs tors. theta energy: -32.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -355.676529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.676529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.676529 (E_RNA)
where:
Base-Base interactions energy: -236.733
where: short stacking energy: -106.910
Base-Backbone interact. energy: -0.374
local terms energy: -128.570244
where:
bonds (distance) C4'-P energy: -26.515
bonds (distance) P-C4' energy: -28.935
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -31.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -316.231972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.231972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.231972 (E_RNA)
where:
Base-Base interactions energy: -207.801
where: short stacking energy: -95.887
Base-Backbone interact. energy: -0.885
local terms energy: -117.546246
where:
bonds (distance) C4'-P energy: -24.105
bonds (distance) P-C4' energy: -25.476
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -18.552
tors. eta vs tors. theta energy: -25.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -170.113129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.113129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.113129 (E_RNA)
where:
Base-Base interactions energy: -77.134
where: short stacking energy: -69.245
Base-Backbone interact. energy: -0.498
local terms energy: -102.481448
where:
bonds (distance) C4'-P energy: -29.339
bonds (distance) P-C4' energy: -27.558
flat angles C4'-P-C4' energy: -17.361
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -122.582450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.582450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.582450 (E_RNA)
where:
Base-Base interactions energy: -52.236
where: short stacking energy: -50.012
Base-Backbone interact. energy: -0.351
local terms energy: -79.995470
where:
bonds (distance) C4'-P energy: -25.857
bonds (distance) P-C4' energy: -20.800
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -118.093354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.093354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.093354 (E_RNA)
where:
Base-Base interactions energy: -46.336
where: short stacking energy: -39.294
Base-Backbone interact. energy: -1.125
local terms energy: -80.632329
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -24.473
flat angles C4'-P-C4' energy: -23.095
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: 1.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -492.283671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.283671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.283671 (E_RNA)
where:
Base-Base interactions energy: -353.779
where: short stacking energy: -145.595
Base-Backbone interact. energy: -0.044
local terms energy: -148.461280
where:
bonds (distance) C4'-P energy: -22.870
bonds (distance) P-C4' energy: -24.347
flat angles C4'-P-C4' energy: -30.056
flat angles P-C4'-P energy: -23.462
tors. eta vs tors. theta energy: -47.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -487.446293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.446293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.446293 (E_RNA)
where:
Base-Base interactions energy: -346.031
where: short stacking energy: -147.205
Base-Backbone interact. energy: -0.585
local terms energy: -150.830509
where:
bonds (distance) C4'-P energy: -24.221
bonds (distance) P-C4' energy: -26.266
flat angles C4'-P-C4' energy: -32.477
flat angles P-C4'-P energy: -24.568
tors. eta vs tors. theta energy: -43.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -440.472830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.472830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.472830 (E_RNA)
where:
Base-Base interactions energy: -309.680
where: short stacking energy: -132.156
Base-Backbone interact. energy: 0.382
local terms energy: -141.175303
where:
bonds (distance) C4'-P energy: -23.687
bonds (distance) P-C4' energy: -28.686
flat angles C4'-P-C4' energy: -24.030
flat angles P-C4'-P energy: -25.107
tors. eta vs tors. theta energy: -39.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -385.332849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.332849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.332849 (E_RNA)
where:
Base-Base interactions energy: -260.239
where: short stacking energy: -122.784
Base-Backbone interact. energy: -0.226
local terms energy: -134.867963
where:
bonds (distance) C4'-P energy: -28.994
bonds (distance) P-C4' energy: -25.543
flat angles C4'-P-C4' energy: -26.737
flat angles P-C4'-P energy: -19.385
tors. eta vs tors. theta energy: -34.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -380.329462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.329462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.329462 (E_RNA)
where:
Base-Base interactions energy: -270.394
where: short stacking energy: -103.571
Base-Backbone interact. energy: 1.527
local terms energy: -121.463375
where:
bonds (distance) C4'-P energy: -25.492
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -26.339
flat angles P-C4'-P energy: -21.892
tors. eta vs tors. theta energy: -28.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -369.361422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.361422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.361422 (E_RNA)
where:
Base-Base interactions energy: -245.800
where: short stacking energy: -122.072
Base-Backbone interact. energy: -0.184
local terms energy: -133.376964
where:
bonds (distance) C4'-P energy: -25.066
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -33.910
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: -35.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -307.743603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.743603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.743603 (E_RNA)
where:
Base-Base interactions energy: -193.984
where: short stacking energy: -92.099
Base-Backbone interact. energy: -0.660
local terms energy: -123.100029
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -24.611
flat angles C4'-P-C4' energy: -26.464
flat angles P-C4'-P energy: -20.160
tors. eta vs tors. theta energy: -27.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -140.876696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.876696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.876696 (E_RNA)
where:
Base-Base interactions energy: -54.913
where: short stacking energy: -43.053
Base-Backbone interact. energy: -0.357
local terms energy: -95.606107
where:
bonds (distance) C4'-P energy: -25.376
bonds (distance) P-C4' energy: -23.644
flat angles C4'-P-C4' energy: -28.186
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -10.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -127.638554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.638554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.638554 (E_RNA)
where:
Base-Base interactions energy: -54.355
where: short stacking energy: -45.828
Base-Backbone interact. energy: -0.043
local terms energy: -83.240069
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -28.919
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -7.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -114.002530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.002530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.002530 (E_RNA)
where:
Base-Base interactions energy: -43.302
where: short stacking energy: -43.436
Base-Backbone interact. energy: -1.051
local terms energy: -79.649674
where:
bonds (distance) C4'-P energy: -25.589
bonds (distance) P-C4' energy: -23.643
flat angles C4'-P-C4' energy: -26.115
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: 9.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -496.149472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.149472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.149472 (E_RNA)
where:
Base-Base interactions energy: -368.061
where: short stacking energy: -153.833
Base-Backbone interact. energy: -0.059
local terms energy: -138.029487
where:
bonds (distance) C4'-P energy: -26.777
bonds (distance) P-C4' energy: -20.780
flat angles C4'-P-C4' energy: -29.613
flat angles P-C4'-P energy: -18.103
tors. eta vs tors. theta energy: -42.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -484.492258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.492258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.492258 (E_RNA)
where:
Base-Base interactions energy: -343.645
where: short stacking energy: -143.322
Base-Backbone interact. energy: -0.008
local terms energy: -150.839669
where:
bonds (distance) C4'-P energy: -28.854
bonds (distance) P-C4' energy: -28.094
flat angles C4'-P-C4' energy: -28.517
flat angles P-C4'-P energy: -21.155
tors. eta vs tors. theta energy: -44.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -435.668626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.668626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.668626 (E_RNA)
where:
Base-Base interactions energy: -296.755
where: short stacking energy: -127.362
Base-Backbone interact. energy: -0.532
local terms energy: -148.381580
where:
bonds (distance) C4'-P energy: -28.767
bonds (distance) P-C4' energy: -29.583
flat angles C4'-P-C4' energy: -26.764
flat angles P-C4'-P energy: -19.387
tors. eta vs tors. theta energy: -43.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -391.957242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.957242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.957242 (E_RNA)
where:
Base-Base interactions energy: -269.080
where: short stacking energy: -120.842
Base-Backbone interact. energy: -0.100
local terms energy: -132.777839
where:
bonds (distance) C4'-P energy: -28.198
bonds (distance) P-C4' energy: -23.569
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -16.026
tors. eta vs tors. theta energy: -36.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -418.985484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.985484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.985484 (E_RNA)
where:
Base-Base interactions energy: -298.803
where: short stacking energy: -132.569
Base-Backbone interact. energy: -0.245
local terms energy: -129.938279
where:
bonds (distance) C4'-P energy: -23.342
bonds (distance) P-C4' energy: -27.327
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -14.251
tors. eta vs tors. theta energy: -36.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -350.252428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.252428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.252428 (E_RNA)
where:
Base-Base interactions energy: -257.328
where: short stacking energy: -101.963
Base-Backbone interact. energy: 1.499
local terms energy: -104.423398
where:
bonds (distance) C4'-P energy: -26.828
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -24.402
flat angles P-C4'-P energy: -15.392
tors. eta vs tors. theta energy: -27.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -298.809339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.809339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.809339 (E_RNA)
where:
Base-Base interactions energy: -202.751
where: short stacking energy: -85.407
Base-Backbone interact. energy: -0.224
local terms energy: -105.834360
where:
bonds (distance) C4'-P energy: -22.312
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -21.589
flat angles P-C4'-P energy: -17.911
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -145.158397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.158397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.158397 (E_RNA)
where:
Base-Base interactions energy: -60.707
where: short stacking energy: -60.707
Base-Backbone interact. energy: -0.288
local terms energy: -94.163346
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -28.891
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -19.416
tors. eta vs tors. theta energy: -7.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -162.083465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.083465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.083465 (E_RNA)
where:
Base-Base interactions energy: -97.165
where: short stacking energy: -60.478
Base-Backbone interact. energy: -0.467
local terms energy: -74.451909
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -20.986
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -0.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -113.222107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.222107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.222107 (E_RNA)
where:
Base-Base interactions energy: -35.939
where: short stacking energy: -33.497
Base-Backbone interact. energy: -0.635
local terms energy: -86.649042
where:
bonds (distance) C4'-P energy: -24.042
bonds (distance) P-C4' energy: -26.167
flat angles C4'-P-C4' energy: -21.411
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -0.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -493.819151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.819151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.819151 (E_RNA)
where:
Base-Base interactions energy: -357.912
where: short stacking energy: -146.491
Base-Backbone interact. energy: -0.514
local terms energy: -145.392281
where:
bonds (distance) C4'-P energy: -27.728
bonds (distance) P-C4' energy: -28.848
flat angles C4'-P-C4' energy: -27.437
flat angles P-C4'-P energy: -19.283
tors. eta vs tors. theta energy: -42.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -487.934378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.934378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.934378 (E_RNA)
where:
Base-Base interactions energy: -355.145
where: short stacking energy: -146.618
Base-Backbone interact. energy: -0.266
local terms energy: -142.523504
where:
bonds (distance) C4'-P energy: -24.446
bonds (distance) P-C4' energy: -25.445
flat angles C4'-P-C4' energy: -29.341
flat angles P-C4'-P energy: -22.903
tors. eta vs tors. theta energy: -40.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -434.095809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.095809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.095809 (E_RNA)
where:
Base-Base interactions energy: -315.911
where: short stacking energy: -138.355
Base-Backbone interact. energy: -0.053
local terms energy: -128.132052
where:
bonds (distance) C4'-P energy: -23.116
bonds (distance) P-C4' energy: -22.022
flat angles C4'-P-C4' energy: -27.578
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -40.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -456.751432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.751432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.751432 (E_RNA)
where:
Base-Base interactions energy: -329.532
where: short stacking energy: -138.289
Base-Backbone interact. energy: -1.402
local terms energy: -135.817077
where:
bonds (distance) C4'-P energy: -20.159
bonds (distance) P-C4' energy: -26.291
flat angles C4'-P-C4' energy: -30.234
flat angles P-C4'-P energy: -20.477
tors. eta vs tors. theta energy: -38.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -384.628208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.628208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.628208 (E_RNA)
where:
Base-Base interactions energy: -265.838
where: short stacking energy: -128.305
Base-Backbone interact. energy: -0.271
local terms energy: -128.518590
where:
bonds (distance) C4'-P energy: -22.771
bonds (distance) P-C4' energy: -26.481
flat angles C4'-P-C4' energy: -26.610
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -37.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -347.513558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.513558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.513558 (E_RNA)
where:
Base-Base interactions energy: -239.958
where: short stacking energy: -98.023
Base-Backbone interact. energy: -1.588
local terms energy: -115.967486
where:
bonds (distance) C4'-P energy: -24.851
bonds (distance) P-C4' energy: -23.011
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -21.994
tors. eta vs tors. theta energy: -25.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -293.078139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.078139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.078139 (E_RNA)
where:
Base-Base interactions energy: -187.491
where: short stacking energy: -95.288
Base-Backbone interact. energy: -0.685
local terms energy: -114.901751
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -27.508
flat angles C4'-P-C4' energy: -23.180
flat angles P-C4'-P energy: -16.252
tors. eta vs tors. theta energy: -24.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -149.076029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.076029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.076029 (E_RNA)
where:
Base-Base interactions energy: -65.966
where: short stacking energy: -50.505
Base-Backbone interact. energy: -0.429
local terms energy: -92.680347
where:
bonds (distance) C4'-P energy: -25.423
bonds (distance) P-C4' energy: -27.579
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: -4.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -129.993486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.993486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.993486 (E_RNA)
where:
Base-Base interactions energy: -51.150
where: short stacking energy: -47.101
Base-Backbone interact. energy: 0.571
local terms energy: -89.413678
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -29.106
flat angles C4'-P-C4' energy: -23.022
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -1.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -120.111259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.111259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.111259 (E_RNA)
where:
Base-Base interactions energy: -50.488
where: short stacking energy: -44.408
Base-Backbone interact. energy: -1.755
local terms energy: -77.868188
where:
bonds (distance) C4'-P energy: -22.600
bonds (distance) P-C4' energy: -25.296
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: 0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -497.575817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.575817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.575817 (E_RNA)
where:
Base-Base interactions energy: -348.640
where: short stacking energy: -139.496
Base-Backbone interact. energy: -0.650
local terms energy: -158.285761
where:
bonds (distance) C4'-P energy: -30.046
bonds (distance) P-C4' energy: -25.887
flat angles C4'-P-C4' energy: -32.348
flat angles P-C4'-P energy: -24.108
tors. eta vs tors. theta energy: -45.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -494.960527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.960527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.960527 (E_RNA)
where:
Base-Base interactions energy: -354.078
where: short stacking energy: -149.811
Base-Backbone interact. energy: -0.313
local terms energy: -150.569361
where:
bonds (distance) C4'-P energy: -27.373
bonds (distance) P-C4' energy: -28.817
flat angles C4'-P-C4' energy: -29.850
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -46.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -479.326388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.326388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.326388 (E_RNA)
where:
Base-Base interactions energy: -341.255
where: short stacking energy: -144.459
Base-Backbone interact. energy: -1.226
local terms energy: -146.845666
where:
bonds (distance) C4'-P energy: -28.783
bonds (distance) P-C4' energy: -22.251
flat angles C4'-P-C4' energy: -33.488
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -40.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -431.935938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.935938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.935938 (E_RNA)
where:
Base-Base interactions energy: -298.667
where: short stacking energy: -129.987
Base-Backbone interact. energy: -0.635
local terms energy: -142.634348
where:
bonds (distance) C4'-P energy: -26.461
bonds (distance) P-C4' energy: -33.437
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -43.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -400.907601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.907601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.907601 (E_RNA)
where:
Base-Base interactions energy: -281.770
where: short stacking energy: -128.241
Base-Backbone interact. energy: 3.204
local terms energy: -132.341641
where:
bonds (distance) C4'-P energy: -23.128
bonds (distance) P-C4' energy: -22.175
flat angles C4'-P-C4' energy: -31.741
flat angles P-C4'-P energy: -18.040
tors. eta vs tors. theta energy: -37.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -360.761116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.761116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.761116 (E_RNA)
where:
Base-Base interactions energy: -251.164
where: short stacking energy: -109.805
Base-Backbone interact. energy: 1.369
local terms energy: -120.966179
where:
bonds (distance) C4'-P energy: -22.698
bonds (distance) P-C4' energy: -22.330
flat angles C4'-P-C4' energy: -25.317
flat angles P-C4'-P energy: -18.316
tors. eta vs tors. theta energy: -32.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -262.003792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.003792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.003792 (E_RNA)
where:
Base-Base interactions energy: -179.619
where: short stacking energy: -82.931
Base-Backbone interact. energy: -0.438
local terms energy: -91.946573
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -27.109
flat angles C4'-P-C4' energy: -21.353
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: -12.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -141.731193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.731193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.731193 (E_RNA)
where:
Base-Base interactions energy: -60.090
where: short stacking energy: -58.138
Base-Backbone interact. energy: -2.098
local terms energy: -89.543188
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -21.338
flat angles C4'-P-C4' energy: -24.437
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -9.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -120.428759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.428759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.428759 (E_RNA)
where:
Base-Base interactions energy: -54.711
where: short stacking energy: -49.740
Base-Backbone interact. energy: 0.459
local terms energy: -76.177279
where:
bonds (distance) C4'-P energy: -23.758
bonds (distance) P-C4' energy: -21.413
flat angles C4'-P-C4' energy: -18.735
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -112.266926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.266926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.266926 (E_RNA)
where:
Base-Base interactions energy: -49.853
where: short stacking energy: -35.166
Base-Backbone interact. energy: -0.369
local terms energy: -72.045156
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -21.910
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -7.023
tors. eta vs tors. theta energy: 0.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -496.086034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.086034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.086034 (E_RNA)
where:
Base-Base interactions energy: -356.547
where: short stacking energy: -152.957
Base-Backbone interact. energy: -0.002
local terms energy: -149.537595
where:
bonds (distance) C4'-P energy: -23.605
bonds (distance) P-C4' energy: -25.054
flat angles C4'-P-C4' energy: -29.414
flat angles P-C4'-P energy: -23.101
tors. eta vs tors. theta energy: -48.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -480.553845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.553845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.553845 (E_RNA)
where:
Base-Base interactions energy: -348.747
where: short stacking energy: -140.225
Base-Backbone interact. energy: -1.172
local terms energy: -140.635689
where:
bonds (distance) C4'-P energy: -24.061
bonds (distance) P-C4' energy: -27.602
flat angles C4'-P-C4' energy: -26.277
flat angles P-C4'-P energy: -19.117
tors. eta vs tors. theta energy: -43.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -464.439216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.439216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.439216 (E_RNA)
where:
Base-Base interactions energy: -329.621
where: short stacking energy: -139.822
Base-Backbone interact. energy: -0.387
local terms energy: -144.431816
where:
bonds (distance) C4'-P energy: -24.257
bonds (distance) P-C4' energy: -30.517
flat angles C4'-P-C4' energy: -30.052
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -40.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -427.309902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.309902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.309902 (E_RNA)
where:
Base-Base interactions energy: -294.794
where: short stacking energy: -127.597
Base-Backbone interact. energy: -0.729
local terms energy: -141.786720
where:
bonds (distance) C4'-P energy: -27.194
bonds (distance) P-C4' energy: -23.893
flat angles C4'-P-C4' energy: -30.194
flat angles P-C4'-P energy: -19.328
tors. eta vs tors. theta energy: -41.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -398.786215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.786215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.786215 (E_RNA)
where:
Base-Base interactions energy: -281.202
where: short stacking energy: -127.290
Base-Backbone interact. energy: -0.264
local terms energy: -127.320068
where:
bonds (distance) C4'-P energy: -27.150
bonds (distance) P-C4' energy: -23.240
flat angles C4'-P-C4' energy: -24.771
flat angles P-C4'-P energy: -18.369
tors. eta vs tors. theta energy: -33.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -353.052899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.052899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.052899 (E_RNA)
where:
Base-Base interactions energy: -248.753
where: short stacking energy: -110.252
Base-Backbone interact. energy: -0.485
local terms energy: -113.815568
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -29.115
flat angles C4'-P-C4' energy: -23.883
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -28.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -249.670832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.670832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.670832 (E_RNA)
where:
Base-Base interactions energy: -145.252
where: short stacking energy: -88.091
Base-Backbone interact. energy: -1.229
local terms energy: -113.189150
where:
bonds (distance) C4'-P energy: -20.154
bonds (distance) P-C4' energy: -27.832
flat angles C4'-P-C4' energy: -28.802
flat angles P-C4'-P energy: -17.198
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -191.880413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.880413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.880413 (E_RNA)
where:
Base-Base interactions energy: -110.956
where: short stacking energy: -69.462
Base-Backbone interact. energy: -0.094
local terms energy: -90.831108
where:
bonds (distance) C4'-P energy: -21.196
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -30.466
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -143.901856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.901856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.901856 (E_RNA)
where:
Base-Base interactions energy: -65.387
where: short stacking energy: -35.591
Base-Backbone interact. energy: 1.025
local terms energy: -89.539292
where:
bonds (distance) C4'-P energy: -22.583
bonds (distance) P-C4' energy: -26.215
flat angles C4'-P-C4' energy: -23.789
flat angles P-C4'-P energy: -16.070
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -149.217493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.217493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.217493 (E_RNA)
where:
Base-Base interactions energy: -66.472
where: short stacking energy: -47.950
Base-Backbone interact. energy: -0.972
local terms energy: -91.773677
where:
bonds (distance) C4'-P energy: -30.373
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -21.251
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -10.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -510.034261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.034261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.034261 (E_RNA)
where:
Base-Base interactions energy: -359.224
where: short stacking energy: -154.203
Base-Backbone interact. energy: -0.002
local terms energy: -160.809040
where:
bonds (distance) C4'-P energy: -25.067
bonds (distance) P-C4' energy: -31.730
flat angles C4'-P-C4' energy: -30.614
flat angles P-C4'-P energy: -26.329
tors. eta vs tors. theta energy: -47.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -485.973169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.973169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.973169 (E_RNA)
where:
Base-Base interactions energy: -341.367
where: short stacking energy: -139.007
Base-Backbone interact. energy: -0.318
local terms energy: -154.287964
where:
bonds (distance) C4'-P energy: -27.842
bonds (distance) P-C4' energy: -32.067
flat angles C4'-P-C4' energy: -31.512
flat angles P-C4'-P energy: -20.027
tors. eta vs tors. theta energy: -42.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -463.022752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.022752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.022752 (E_RNA)
where:
Base-Base interactions energy: -336.143
where: short stacking energy: -138.243
Base-Backbone interact. energy: -0.081
local terms energy: -136.799060
where:
bonds (distance) C4'-P energy: -24.846
bonds (distance) P-C4' energy: -29.431
flat angles C4'-P-C4' energy: -25.114
flat angles P-C4'-P energy: -21.054
tors. eta vs tors. theta energy: -36.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -410.425344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.425344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.425344 (E_RNA)
where:
Base-Base interactions energy: -291.762
where: short stacking energy: -134.110
Base-Backbone interact. energy: 0.381
local terms energy: -129.044252
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -28.115
flat angles C4'-P-C4' energy: -27.355
flat angles P-C4'-P energy: -20.512
tors. eta vs tors. theta energy: -34.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -394.846201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.846201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.846201 (E_RNA)
where:
Base-Base interactions energy: -272.843
where: short stacking energy: -108.267
Base-Backbone interact. energy: -2.313
local terms energy: -129.690111
where:
bonds (distance) C4'-P energy: -26.126
bonds (distance) P-C4' energy: -29.863
flat angles C4'-P-C4' energy: -25.948
flat angles P-C4'-P energy: -18.071
tors. eta vs tors. theta energy: -29.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -361.035204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.035204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.035204 (E_RNA)
where:
Base-Base interactions energy: -251.927
where: short stacking energy: -113.064
Base-Backbone interact. energy: -0.134
local terms energy: -118.973663
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -22.367
flat angles C4'-P-C4' energy: -25.805
flat angles P-C4'-P energy: -19.197
tors. eta vs tors. theta energy: -33.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -246.901067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.901067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.901067 (E_RNA)
where:
Base-Base interactions energy: -155.537
where: short stacking energy: -84.313
Base-Backbone interact. energy: -0.121
local terms energy: -101.242874
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -27.609
flat angles P-C4'-P energy: -11.515
tors. eta vs tors. theta energy: -14.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -190.819574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.819574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.819574 (E_RNA)
where:
Base-Base interactions energy: -103.489
where: short stacking energy: -65.231
Base-Backbone interact. energy: -0.673
local terms energy: -96.657336
where:
bonds (distance) C4'-P energy: -23.418
bonds (distance) P-C4' energy: -23.728
flat angles C4'-P-C4' energy: -24.917
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -6.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -133.113676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.113676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.113676 (E_RNA)
where:
Base-Base interactions energy: -61.682
where: short stacking energy: -38.654
Base-Backbone interact. energy: 0.177
local terms energy: -81.608749
where:
bonds (distance) C4'-P energy: -22.305
bonds (distance) P-C4' energy: -25.616
flat angles C4'-P-C4' energy: -24.083
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: 2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -112.425761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.425761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.425761 (E_RNA)
where:
Base-Base interactions energy: -43.309
where: short stacking energy: -41.182
Base-Backbone interact. energy: 0.173
local terms energy: -79.289162
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -30.161
flat angles C4'-P-C4' energy: -21.257
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: 1.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -499.487013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.487013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.487013 (E_RNA)
where:
Base-Base interactions energy: -348.808
where: short stacking energy: -157.390
Base-Backbone interact. energy: -0.174
local terms energy: -160.505098
where:
bonds (distance) C4'-P energy: -29.099
bonds (distance) P-C4' energy: -30.317
flat angles C4'-P-C4' energy: -32.429
flat angles P-C4'-P energy: -23.385
tors. eta vs tors. theta energy: -45.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -466.349663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.349663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.349663 (E_RNA)
where:
Base-Base interactions energy: -329.564
where: short stacking energy: -136.585
Base-Backbone interact. energy: -0.006
local terms energy: -146.779551
where:
bonds (distance) C4'-P energy: -28.240
bonds (distance) P-C4' energy: -30.038
flat angles C4'-P-C4' energy: -28.685
flat angles P-C4'-P energy: -20.041
tors. eta vs tors. theta energy: -39.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -477.346660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.346660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.346660 (E_RNA)
where:
Base-Base interactions energy: -341.334
where: short stacking energy: -144.441
Base-Backbone interact. energy: -0.174
local terms energy: -145.838380
where:
bonds (distance) C4'-P energy: -27.367
bonds (distance) P-C4' energy: -28.464
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -17.326
tors. eta vs tors. theta energy: -43.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -426.334904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.334904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.334904 (E_RNA)
where:
Base-Base interactions energy: -301.664
where: short stacking energy: -128.280
Base-Backbone interact. energy: -0.665
local terms energy: -134.006428
where:
bonds (distance) C4'-P energy: -23.174
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -22.333
tors. eta vs tors. theta energy: -44.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -387.342661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.342661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.342661 (E_RNA)
where:
Base-Base interactions energy: -268.069
where: short stacking energy: -111.255
Base-Backbone interact. energy: -0.527
local terms energy: -128.746484
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -28.782
flat angles C4'-P-C4' energy: -30.191
flat angles P-C4'-P energy: -18.268
tors. eta vs tors. theta energy: -29.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -385.578963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.578963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.578963 (E_RNA)
where:
Base-Base interactions energy: -269.111
where: short stacking energy: -126.681
Base-Backbone interact. energy: -0.740
local terms energy: -125.727694
where:
bonds (distance) C4'-P energy: -18.885
bonds (distance) P-C4' energy: -25.379
flat angles C4'-P-C4' energy: -29.300
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -35.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -229.471642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.471642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.471642 (E_RNA)
where:
Base-Base interactions energy: -155.323
where: short stacking energy: -81.656
Base-Backbone interact. energy: 1.571
local terms energy: -85.719930
where:
bonds (distance) C4'-P energy: -21.438
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -19.722
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -13.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -185.907376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.907376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.907376 (E_RNA)
where:
Base-Base interactions energy: -113.495
where: short stacking energy: -54.105
Base-Backbone interact. energy: -0.340
local terms energy: -82.072574
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -29.265
flat angles C4'-P-C4' energy: -21.479
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -5.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -117.368480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.368480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.368480 (E_RNA)
where:
Base-Base interactions energy: -70.914
where: short stacking energy: -51.874
Base-Backbone interact. energy: 0.866
local terms energy: -57.319581
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -4.058
tors. eta vs tors. theta energy: 5.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -108.594756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.594756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.594756 (E_RNA)
where:
Base-Base interactions energy: -31.253
where: short stacking energy: -31.653
Base-Backbone interact. energy: -0.505
local terms energy: -86.836994
where:
bonds (distance) C4'-P energy: -24.516
bonds (distance) P-C4' energy: -22.583
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -2.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -495.807791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.807791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.807791 (E_RNA)
where:
Base-Base interactions energy: -344.349
where: short stacking energy: -146.632
Base-Backbone interact. energy: -0.097
local terms energy: -161.361581
where:
bonds (distance) C4'-P energy: -27.468
bonds (distance) P-C4' energy: -31.208
flat angles C4'-P-C4' energy: -32.227
flat angles P-C4'-P energy: -26.392
tors. eta vs tors. theta energy: -44.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -471.705979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.705979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.705979 (E_RNA)
where:
Base-Base interactions energy: -329.363
where: short stacking energy: -134.248
Base-Backbone interact. energy: -0.248
local terms energy: -152.094002
where:
bonds (distance) C4'-P energy: -25.431
bonds (distance) P-C4' energy: -29.110
flat angles C4'-P-C4' energy: -31.682
flat angles P-C4'-P energy: -21.541
tors. eta vs tors. theta energy: -44.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -465.091650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.091650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.091650 (E_RNA)
where:
Base-Base interactions energy: -337.393
where: short stacking energy: -130.996
Base-Backbone interact. energy: 0.308
local terms energy: -138.006633
where:
bonds (distance) C4'-P energy: -26.673
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -30.584
flat angles P-C4'-P energy: -20.988
tors. eta vs tors. theta energy: -38.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -431.107912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.107912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.107912 (E_RNA)
where:
Base-Base interactions energy: -295.331
where: short stacking energy: -122.441
Base-Backbone interact. energy: -0.535
local terms energy: -145.241407
where:
bonds (distance) C4'-P energy: -30.954
bonds (distance) P-C4' energy: -26.741
flat angles C4'-P-C4' energy: -23.473
flat angles P-C4'-P energy: -22.308
tors. eta vs tors. theta energy: -41.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -395.046297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.046297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.046297 (E_RNA)
where:
Base-Base interactions energy: -269.587
where: short stacking energy: -105.236
Base-Backbone interact. energy: -0.086
local terms energy: -135.373401
where:
bonds (distance) C4'-P energy: -24.995
bonds (distance) P-C4' energy: -28.230
flat angles C4'-P-C4' energy: -32.004
flat angles P-C4'-P energy: -15.405
tors. eta vs tors. theta energy: -34.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -384.805534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.805534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.805534 (E_RNA)
where:
Base-Base interactions energy: -266.712
where: short stacking energy: -120.648
Base-Backbone interact. energy: -0.088
local terms energy: -128.005448
where:
bonds (distance) C4'-P energy: -23.884
bonds (distance) P-C4' energy: -28.267
flat angles C4'-P-C4' energy: -27.627
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -35.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -237.214301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.214301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.214301 (E_RNA)
where:
Base-Base interactions energy: -144.953
where: short stacking energy: -75.304
Base-Backbone interact. energy: 0.339
local terms energy: -102.601090
where:
bonds (distance) C4'-P energy: -23.889
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -22.950
flat angles P-C4'-P energy: -20.747
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -156.530778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.530778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.530778 (E_RNA)
where:
Base-Base interactions energy: -76.173
where: short stacking energy: -45.940
Base-Backbone interact. energy: -1.360
local terms energy: -88.997678
where:
bonds (distance) C4'-P energy: -23.935
bonds (distance) P-C4' energy: -26.713
flat angles C4'-P-C4' energy: -24.764
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: 2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -131.354056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.354056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.354056 (E_RNA)
where:
Base-Base interactions energy: -55.239
where: short stacking energy: -52.235
Base-Backbone interact. energy: -0.617
local terms energy: -85.498106
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -25.983
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -115.422421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.422421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.422421 (E_RNA)
where:
Base-Base interactions energy: -46.691
where: short stacking energy: -44.019
Base-Backbone interact. energy: -0.516
local terms energy: -78.214775
where:
bonds (distance) C4'-P energy: -24.022
bonds (distance) P-C4' energy: -25.132
flat angles C4'-P-C4' energy: -17.460
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -502.472876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.472876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.472876 (E_RNA)
where:
Base-Base interactions energy: -356.230
where: short stacking energy: -156.985
Base-Backbone interact. energy: -0.000
local terms energy: -156.242349
where:
bonds (distance) C4'-P energy: -29.131
bonds (distance) P-C4' energy: -29.093
flat angles C4'-P-C4' energy: -31.578
flat angles P-C4'-P energy: -21.908
tors. eta vs tors. theta energy: -44.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -489.511354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.511354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.511354 (E_RNA)
where:
Base-Base interactions energy: -342.157
where: short stacking energy: -148.771
Base-Backbone interact. energy: -0.005
local terms energy: -157.348613
where:
bonds (distance) C4'-P energy: -25.447
bonds (distance) P-C4' energy: -24.891
flat angles C4'-P-C4' energy: -32.688
flat angles P-C4'-P energy: -26.286
tors. eta vs tors. theta energy: -48.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -474.987991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.987991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.987991 (E_RNA)
where:
Base-Base interactions energy: -339.807
where: short stacking energy: -144.592
Base-Backbone interact. energy: -0.101
local terms energy: -145.079687
where:
bonds (distance) C4'-P energy: -29.641
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -31.257
flat angles P-C4'-P energy: -19.634
tors. eta vs tors. theta energy: -43.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -441.678694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.678694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.678694 (E_RNA)
where:
Base-Base interactions energy: -314.864
where: short stacking energy: -134.701
Base-Backbone interact. energy: -1.453
local terms energy: -135.361509
where:
bonds (distance) C4'-P energy: -19.497
bonds (distance) P-C4' energy: -28.385
flat angles C4'-P-C4' energy: -32.974
flat angles P-C4'-P energy: -21.772
tors. eta vs tors. theta energy: -32.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -420.017463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.017463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.017463 (E_RNA)
where:
Base-Base interactions energy: -299.428
where: short stacking energy: -124.248
Base-Backbone interact. energy: -0.004
local terms energy: -130.586136
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -28.792
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -16.483
tors. eta vs tors. theta energy: -44.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -367.175404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.175404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.175404 (E_RNA)
where:
Base-Base interactions energy: -254.073
where: short stacking energy: -122.140
Base-Backbone interact. energy: -0.879
local terms energy: -122.223401
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -20.275
flat angles C4'-P-C4' energy: -26.851
flat angles P-C4'-P energy: -21.075
tors. eta vs tors. theta energy: -36.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -240.040180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.040180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.040180 (E_RNA)
where:
Base-Base interactions energy: -146.930
where: short stacking energy: -71.454
Base-Backbone interact. energy: -0.814
local terms energy: -102.296431
where:
bonds (distance) C4'-P energy: -23.264
bonds (distance) P-C4' energy: -23.335
flat angles C4'-P-C4' energy: -25.999
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: -12.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -128.709305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.709305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.709305 (E_RNA)
where:
Base-Base interactions energy: -64.537
where: short stacking energy: -42.926
Base-Backbone interact. energy: -0.870
local terms energy: -73.302348
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -22.297
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -19.758
tors. eta vs tors. theta energy: 9.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -142.238974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.238974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.238974 (E_RNA)
where:
Base-Base interactions energy: -55.713
where: short stacking energy: -30.839
Base-Backbone interact. energy: -0.720
local terms energy: -95.806060
where:
bonds (distance) C4'-P energy: -28.378
bonds (distance) P-C4' energy: -24.909
flat angles C4'-P-C4' energy: -21.311
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -6.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -117.386199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.386199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.386199 (E_RNA)
where:
Base-Base interactions energy: -45.543
where: short stacking energy: -43.141
Base-Backbone interact. energy: -0.295
local terms energy: -81.547533
where:
bonds (distance) C4'-P energy: -24.648
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -21.147
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: 3.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -478.451628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.451628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.451628 (E_RNA)
where:
Base-Base interactions energy: -335.229
where: short stacking energy: -148.163
Base-Backbone interact. energy: -0.486
local terms energy: -152.736715
where:
bonds (distance) C4'-P energy: -27.479
bonds (distance) P-C4' energy: -25.318
flat angles C4'-P-C4' energy: -30.171
flat angles P-C4'-P energy: -24.958
tors. eta vs tors. theta energy: -44.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -487.948868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.948868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.948868 (E_RNA)
where:
Base-Base interactions energy: -356.419
where: short stacking energy: -153.108
Base-Backbone interact. energy: -0.519
local terms energy: -141.011527
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -22.056
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -23.849
tors. eta vs tors. theta energy: -45.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -479.510518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.510518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.510518 (E_RNA)
where:
Base-Base interactions energy: -341.056
where: short stacking energy: -147.058
Base-Backbone interact. energy: -0.145
local terms energy: -148.310098
where:
bonds (distance) C4'-P energy: -24.799
bonds (distance) P-C4' energy: -30.326
flat angles C4'-P-C4' energy: -28.665
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: -42.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -427.971094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.971094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.971094 (E_RNA)
where:
Base-Base interactions energy: -297.700
where: short stacking energy: -132.943
Base-Backbone interact. energy: -0.389
local terms energy: -139.881989
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -32.018
flat angles C4'-P-C4' energy: -31.238
flat angles P-C4'-P energy: -19.085
tors. eta vs tors. theta energy: -39.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -411.955892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.955892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.955892 (E_RNA)
where:
Base-Base interactions energy: -282.795
where: short stacking energy: -115.249
Base-Backbone interact. energy: 1.424
local terms energy: -140.584380
where:
bonds (distance) C4'-P energy: -28.936
bonds (distance) P-C4' energy: -29.293
flat angles C4'-P-C4' energy: -28.441
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -36.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -376.421177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.421177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.421177 (E_RNA)
where:
Base-Base interactions energy: -248.061
where: short stacking energy: -116.766
Base-Backbone interact. energy: -0.317
local terms energy: -138.043629
where:
bonds (distance) C4'-P energy: -28.060
bonds (distance) P-C4' energy: -28.253
flat angles C4'-P-C4' energy: -27.842
flat angles P-C4'-P energy: -17.577
tors. eta vs tors. theta energy: -36.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -232.729332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.729332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.729332 (E_RNA)
where:
Base-Base interactions energy: -142.850
where: short stacking energy: -64.846
Base-Backbone interact. energy: -0.456
local terms energy: -99.423969
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -26.912
flat angles C4'-P-C4' energy: -25.836
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -15.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -135.069612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.069612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.069612 (E_RNA)
where:
Base-Base interactions energy: -61.342
where: short stacking energy: -42.263
Base-Backbone interact. energy: -0.286
local terms energy: -83.441320
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -20.154
tors. eta vs tors. theta energy: -1.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -126.505967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.505967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.505967 (E_RNA)
where:
Base-Base interactions energy: -47.445
where: short stacking energy: -39.270
Base-Backbone interact. energy: -0.089
local terms energy: -88.972063
where:
bonds (distance) C4'-P energy: -27.132
bonds (distance) P-C4' energy: -23.021
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -5.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -122.111726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.111726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.111726 (E_RNA)
where:
Base-Base interactions energy: -50.300
where: short stacking energy: -47.738
Base-Backbone interact. energy: 0.137
local terms energy: -81.948725
where:
bonds (distance) C4'-P energy: -21.214
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -23.607
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -471.732722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.732722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.732722 (E_RNA)
where:
Base-Base interactions energy: -336.441
where: short stacking energy: -141.175
Base-Backbone interact. energy: -0.146
local terms energy: -145.146390
where:
bonds (distance) C4'-P energy: -26.616
bonds (distance) P-C4' energy: -26.323
flat angles C4'-P-C4' energy: -27.243
flat angles P-C4'-P energy: -22.850
tors. eta vs tors. theta energy: -42.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -493.854461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.854461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.854461 (E_RNA)
where:
Base-Base interactions energy: -357.375
where: short stacking energy: -144.399
Base-Backbone interact. energy: -0.254
local terms energy: -146.225213
where:
bonds (distance) C4'-P energy: -28.464
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -30.209
flat angles P-C4'-P energy: -22.493
tors. eta vs tors. theta energy: -42.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -483.462739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.462739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.462739 (E_RNA)
where:
Base-Base interactions energy: -338.725
where: short stacking energy: -147.813
Base-Backbone interact. energy: -0.489
local terms energy: -154.248722
where:
bonds (distance) C4'-P energy: -23.736
bonds (distance) P-C4' energy: -31.506
flat angles C4'-P-C4' energy: -29.735
flat angles P-C4'-P energy: -21.975
tors. eta vs tors. theta energy: -47.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -424.942098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.942098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.942098 (E_RNA)
where:
Base-Base interactions energy: -301.466
where: short stacking energy: -127.536
Base-Backbone interact. energy: -1.038
local terms energy: -132.437899
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -28.589
flat angles C4'-P-C4' energy: -23.443
flat angles P-C4'-P energy: -24.339
tors. eta vs tors. theta energy: -35.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -464.696694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.696694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.696694 (E_RNA)
where:
Base-Base interactions energy: -331.790
where: short stacking energy: -135.562
Base-Backbone interact. energy: -0.005
local terms energy: -142.902035
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -22.213
flat angles C4'-P-C4' energy: -26.846
flat angles P-C4'-P energy: -21.253
tors. eta vs tors. theta energy: -47.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -350.887263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.887263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.887263 (E_RNA)
where:
Base-Base interactions energy: -238.199
where: short stacking energy: -109.687
Base-Backbone interact. energy: -1.063
local terms energy: -121.624837
where:
bonds (distance) C4'-P energy: -21.494
bonds (distance) P-C4' energy: -27.836
flat angles C4'-P-C4' energy: -25.702
flat angles P-C4'-P energy: -16.223
tors. eta vs tors. theta energy: -30.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -244.280303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.280303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.280303 (E_RNA)
where:
Base-Base interactions energy: -140.997
where: short stacking energy: -81.804
Base-Backbone interact. energy: -0.550
local terms energy: -112.733656
where:
bonds (distance) C4'-P energy: -23.651
bonds (distance) P-C4' energy: -26.212
flat angles C4'-P-C4' energy: -25.452
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -22.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -128.518951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.518951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.518951 (E_RNA)
where:
Base-Base interactions energy: -62.640
where: short stacking energy: -49.401
Base-Backbone interact. energy: -0.027
local terms energy: -75.852378
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -24.203
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -113.739210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.739210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.739210 (E_RNA)
where:
Base-Base interactions energy: -48.977
where: short stacking energy: -36.284
Base-Backbone interact. energy: -0.432
local terms energy: -74.329666
where:
bonds (distance) C4'-P energy: -10.509
bonds (distance) P-C4' energy: -26.698
flat angles C4'-P-C4' energy: -23.871
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: 0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -120.211012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.211012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.211012 (E_RNA)
where:
Base-Base interactions energy: -44.695
where: short stacking energy: -39.526
Base-Backbone interact. energy: 0.591
local terms energy: -86.106852
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -27.075
flat angles C4'-P-C4' energy: -23.888
flat angles P-C4'-P energy: -3.838
tors. eta vs tors. theta energy: -7.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -490.078674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.078674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.078674 (E_RNA)
where:
Base-Base interactions energy: -350.434
where: short stacking energy: -146.118
Base-Backbone interact. energy: -0.776
local terms energy: -148.868882
where:
bonds (distance) C4'-P energy: -27.223
bonds (distance) P-C4' energy: -27.455
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -22.387
tors. eta vs tors. theta energy: -42.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -473.603685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.603685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.603685 (E_RNA)
where:
Base-Base interactions energy: -341.183
where: short stacking energy: -144.529
Base-Backbone interact. energy: -0.104
local terms energy: -142.317068
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -33.741
flat angles P-C4'-P energy: -18.669
tors. eta vs tors. theta energy: -45.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -486.306597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.306597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.306597 (E_RNA)
where:
Base-Base interactions energy: -353.929
where: short stacking energy: -149.971
Base-Backbone interact. energy: -0.405
local terms energy: -141.972132
where:
bonds (distance) C4'-P energy: -25.781
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -27.363
flat angles P-C4'-P energy: -22.005
tors. eta vs tors. theta energy: -46.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -428.287235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.287235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.287235 (E_RNA)
where:
Base-Base interactions energy: -306.667
where: short stacking energy: -125.631
Base-Backbone interact. energy: -0.941
local terms energy: -130.678941
where:
bonds (distance) C4'-P energy: -21.944
bonds (distance) P-C4' energy: -22.761
flat angles C4'-P-C4' energy: -31.101
flat angles P-C4'-P energy: -22.580
tors. eta vs tors. theta energy: -32.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -467.875776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.875776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.875776 (E_RNA)
where:
Base-Base interactions energy: -332.471
where: short stacking energy: -134.295
Base-Backbone interact. energy: -0.009
local terms energy: -145.395061
where:
bonds (distance) C4'-P energy: -24.029
bonds (distance) P-C4' energy: -28.188
flat angles C4'-P-C4' energy: -32.982
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -41.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -340.843026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.843026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.843026 (E_RNA)
where:
Base-Base interactions energy: -228.914
where: short stacking energy: -111.878
Base-Backbone interact. energy: -0.001
local terms energy: -121.928491
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -27.555
flat angles C4'-P-C4' energy: -25.994
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -30.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -231.844192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.844192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.844192 (E_RNA)
where:
Base-Base interactions energy: -139.193
where: short stacking energy: -82.247
Base-Backbone interact. energy: -0.465
local terms energy: -102.185733
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -25.190
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -18.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -164.569896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.569896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.569896 (E_RNA)
where:
Base-Base interactions energy: -86.401
where: short stacking energy: -63.061
Base-Backbone interact. energy: -0.525
local terms energy: -87.643626
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -28.605
flat angles C4'-P-C4' energy: -26.138
flat angles P-C4'-P energy: -4.625
tors. eta vs tors. theta energy: -8.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -127.623238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.623238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.623238 (E_RNA)
where:
Base-Base interactions energy: -55.666
where: short stacking energy: -54.043
Base-Backbone interact. energy: -0.183
local terms energy: -81.774851
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -30.214
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -108.879684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.879684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.879684 (E_RNA)
where:
Base-Base interactions energy: -43.092
where: short stacking energy: -32.384
Base-Backbone interact. energy: -0.229
local terms energy: -75.558139
where:
bonds (distance) C4'-P energy: -21.621
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -21.920
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: 0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -491.220072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.220072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.220072 (E_RNA)
where:
Base-Base interactions energy: -349.747
where: short stacking energy: -141.462
Base-Backbone interact. energy: -0.664
local terms energy: -150.809652
where:
bonds (distance) C4'-P energy: -30.047
bonds (distance) P-C4' energy: -28.617
flat angles C4'-P-C4' energy: -28.130
flat angles P-C4'-P energy: -22.229
tors. eta vs tors. theta energy: -41.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -487.640319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.640319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.640319 (E_RNA)
where:
Base-Base interactions energy: -358.212
where: short stacking energy: -149.778
Base-Backbone interact. energy: 1.780
local terms energy: -141.207795
where:
bonds (distance) C4'-P energy: -22.071
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -29.678
flat angles P-C4'-P energy: -18.482
tors. eta vs tors. theta energy: -45.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -473.241115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.241115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.241115 (E_RNA)
where:
Base-Base interactions energy: -341.701
where: short stacking energy: -133.280
Base-Backbone interact. energy: -0.264
local terms energy: -141.276168
where:
bonds (distance) C4'-P energy: -20.129
bonds (distance) P-C4' energy: -31.788
flat angles C4'-P-C4' energy: -31.102
flat angles P-C4'-P energy: -21.090
tors. eta vs tors. theta energy: -37.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -475.893684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.893684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.893684 (E_RNA)
where:
Base-Base interactions energy: -335.734
where: short stacking energy: -138.967
Base-Backbone interact. energy: -0.004
local terms energy: -150.155989
where:
bonds (distance) C4'-P energy: -28.978
bonds (distance) P-C4' energy: -26.260
flat angles C4'-P-C4' energy: -31.588
flat angles P-C4'-P energy: -21.240
tors. eta vs tors. theta energy: -42.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -422.581321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.581321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.581321 (E_RNA)
where:
Base-Base interactions energy: -300.514
where: short stacking energy: -121.123
Base-Backbone interact. energy: -0.909
local terms energy: -131.158550
where:
bonds (distance) C4'-P energy: -26.275
bonds (distance) P-C4' energy: -28.449
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -18.671
tors. eta vs tors. theta energy: -35.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -354.517762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.517762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.517762 (E_RNA)
where:
Base-Base interactions energy: -242.715
where: short stacking energy: -117.897
Base-Backbone interact. energy: -0.222
local terms energy: -121.581051
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -27.351
flat angles C4'-P-C4' energy: -22.921
flat angles P-C4'-P energy: -20.128
tors. eta vs tors. theta energy: -30.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -237.051581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.051581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.051581 (E_RNA)
where:
Base-Base interactions energy: -147.714
where: short stacking energy: -89.778
Base-Backbone interact. energy: -0.793
local terms energy: -98.544365
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -33.054
flat angles C4'-P-C4' energy: -22.171
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -14.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -132.170770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.170770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.170770 (E_RNA)
where:
Base-Base interactions energy: -49.249
where: short stacking energy: -45.773
Base-Backbone interact. energy: -0.248
local terms energy: -92.673847
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -28.622
flat angles C4'-P-C4' energy: -27.933
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -135.702557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.702557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.702557 (E_RNA)
where:
Base-Base interactions energy: -49.709
where: short stacking energy: -48.294
Base-Backbone interact. energy: -0.386
local terms energy: -95.607552
where:
bonds (distance) C4'-P energy: -26.796
bonds (distance) P-C4' energy: -27.744
flat angles C4'-P-C4' energy: -21.524
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -9.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -128.306487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.306487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.306487 (E_RNA)
where:
Base-Base interactions energy: -51.358
where: short stacking energy: -51.899
Base-Backbone interact. energy: 1.098
local terms energy: -88.046058
where:
bonds (distance) C4'-P energy: -27.130
bonds (distance) P-C4' energy: -27.419
flat angles C4'-P-C4' energy: -16.752
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -501.316052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.316052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.316052 (E_RNA)
where:
Base-Base interactions energy: -355.555
where: short stacking energy: -150.374
Base-Backbone interact. energy: -0.100
local terms energy: -155.661084
where:
bonds (distance) C4'-P energy: -32.001
bonds (distance) P-C4' energy: -26.071
flat angles C4'-P-C4' energy: -29.200
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: -46.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -490.815766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.815766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.815766 (E_RNA)
where:
Base-Base interactions energy: -349.640
where: short stacking energy: -144.559
Base-Backbone interact. energy: -0.346
local terms energy: -150.829548
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -26.789
flat angles C4'-P-C4' energy: -32.044
flat angles P-C4'-P energy: -22.015
tors. eta vs tors. theta energy: -46.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -488.150214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.150214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.150214 (E_RNA)
where:
Base-Base interactions energy: -350.776
where: short stacking energy: -138.929
Base-Backbone interact. energy: -0.093
local terms energy: -147.281725
where:
bonds (distance) C4'-P energy: -24.610
bonds (distance) P-C4' energy: -29.626
flat angles C4'-P-C4' energy: -30.566
flat angles P-C4'-P energy: -22.185
tors. eta vs tors. theta energy: -40.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -449.958234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.958234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.958234 (E_RNA)
where:
Base-Base interactions energy: -318.015
where: short stacking energy: -130.629
Base-Backbone interact. energy: -0.728
local terms energy: -141.215819
where:
bonds (distance) C4'-P energy: -30.993
bonds (distance) P-C4' energy: -25.477
flat angles C4'-P-C4' energy: -26.347
flat angles P-C4'-P energy: -17.842
tors. eta vs tors. theta energy: -40.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -338.603937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.603937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.603937 (E_RNA)
where:
Base-Base interactions energy: -240.243
where: short stacking energy: -97.459
Base-Backbone interact. energy: -0.630
local terms energy: -107.731217
where:
bonds (distance) C4'-P energy: -22.582
bonds (distance) P-C4' energy: -28.979
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -18.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -419.924642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.924642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.924642 (E_RNA)
where:
Base-Base interactions energy: -298.869
where: short stacking energy: -131.205
Base-Backbone interact. energy: -0.348
local terms energy: -130.706921
where:
bonds (distance) C4'-P energy: -29.875
bonds (distance) P-C4' energy: -21.699
flat angles C4'-P-C4' energy: -23.412
flat angles P-C4'-P energy: -20.662
tors. eta vs tors. theta energy: -35.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -238.251084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.251084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.251084 (E_RNA)
where:
Base-Base interactions energy: -141.066
where: short stacking energy: -73.423
Base-Backbone interact. energy: 0.302
local terms energy: -107.486671
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -30.802
flat angles C4'-P-C4' energy: -25.712
flat angles P-C4'-P energy: -17.868
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -146.503724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.503724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.503724 (E_RNA)
where:
Base-Base interactions energy: -74.845
where: short stacking energy: -44.387
Base-Backbone interact. energy: -0.679
local terms energy: -80.980001
where:
bonds (distance) C4'-P energy: -21.315
bonds (distance) P-C4' energy: -22.353
flat angles C4'-P-C4' energy: -24.525
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -6.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -118.149514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.149514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.149514 (E_RNA)
where:
Base-Base interactions energy: -42.897
where: short stacking energy: -43.033
Base-Backbone interact. energy: 1.346
local terms energy: -86.599122
where:
bonds (distance) C4'-P energy: -24.817
bonds (distance) P-C4' energy: -21.451
flat angles C4'-P-C4' energy: -23.873
flat angles P-C4'-P energy: -14.605
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -112.753138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.753138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.753138 (E_RNA)
where:
Base-Base interactions energy: -54.998
where: short stacking energy: -27.589
Base-Backbone interact. energy: 1.546
local terms energy: -69.300901
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -490.888940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.888940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.888940 (E_RNA)
where:
Base-Base interactions energy: -346.453
where: short stacking energy: -140.361
Base-Backbone interact. energy: -0.486
local terms energy: -153.949305
where:
bonds (distance) C4'-P energy: -25.036
bonds (distance) P-C4' energy: -29.432
flat angles C4'-P-C4' energy: -30.336
flat angles P-C4'-P energy: -22.381
tors. eta vs tors. theta energy: -46.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -486.099479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.099479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.099479 (E_RNA)
where:
Base-Base interactions energy: -354.792
where: short stacking energy: -139.348
Base-Backbone interact. energy: -0.834
local terms energy: -140.474088
where:
bonds (distance) C4'-P energy: -23.815
bonds (distance) P-C4' energy: -24.447
flat angles C4'-P-C4' energy: -31.336
flat angles P-C4'-P energy: -18.246
tors. eta vs tors. theta energy: -42.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -480.206463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.206463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.206463 (E_RNA)
where:
Base-Base interactions energy: -344.187
where: short stacking energy: -147.572
Base-Backbone interact. energy: -0.002
local terms energy: -146.017646
where:
bonds (distance) C4'-P energy: -27.550
bonds (distance) P-C4' energy: -24.984
flat angles C4'-P-C4' energy: -31.867
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -44.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -444.642742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.642742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.642742 (E_RNA)
where:
Base-Base interactions energy: -316.914
where: short stacking energy: -134.072
Base-Backbone interact. energy: -0.234
local terms energy: -137.495001
where:
bonds (distance) C4'-P energy: -22.528
bonds (distance) P-C4' energy: -30.915
flat angles C4'-P-C4' energy: -26.533
flat angles P-C4'-P energy: -19.694
tors. eta vs tors. theta energy: -37.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -343.831497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.831497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.831497 (E_RNA)
where:
Base-Base interactions energy: -238.830
where: short stacking energy: -116.741
Base-Backbone interact. energy: -0.578
local terms energy: -114.423071
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -29.092
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -32.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -423.776935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.776935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.776935 (E_RNA)
where:
Base-Base interactions energy: -294.458
where: short stacking energy: -121.420
Base-Backbone interact. energy: -0.006
local terms energy: -139.313084
where:
bonds (distance) C4'-P energy: -21.286
bonds (distance) P-C4' energy: -21.283
flat angles C4'-P-C4' energy: -30.761
flat angles P-C4'-P energy: -25.132
tors. eta vs tors. theta energy: -40.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -225.927125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.927125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.927125 (E_RNA)
where:
Base-Base interactions energy: -127.796
where: short stacking energy: -71.461
Base-Backbone interact. energy: -0.896
local terms energy: -107.235300
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -25.073
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -18.412
tors. eta vs tors. theta energy: -16.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -136.962855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.962855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.962855 (E_RNA)
where:
Base-Base interactions energy: -52.588
where: short stacking energy: -52.397
Base-Backbone interact. energy: -0.212
local terms energy: -94.162787
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -28.302
flat angles C4'-P-C4' energy: -21.821
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -12.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -135.413052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.413052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.413052 (E_RNA)
where:
Base-Base interactions energy: -64.188
where: short stacking energy: -52.180
Base-Backbone interact. energy: 0.114
local terms energy: -81.339170
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -24.929
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -18.693
tors. eta vs tors. theta energy: -3.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -119.521546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.521546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.521546 (E_RNA)
where:
Base-Base interactions energy: -57.161
where: short stacking energy: -50.575
Base-Backbone interact. energy: 1.954
local terms energy: -74.314013
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -24.271
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -16.199
tors. eta vs tors. theta energy: -4.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -497.691250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.691250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.691250 (E_RNA)
where:
Base-Base interactions energy: -365.941
where: short stacking energy: -146.635
Base-Backbone interact. energy: -0.100
local terms energy: -141.650569
where:
bonds (distance) C4'-P energy: -22.781
bonds (distance) P-C4' energy: -26.627
flat angles C4'-P-C4' energy: -29.763
flat angles P-C4'-P energy: -21.707
tors. eta vs tors. theta energy: -40.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -494.968535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.968535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.968535 (E_RNA)
where:
Base-Base interactions energy: -345.284
where: short stacking energy: -152.128
Base-Backbone interact. energy: -0.151
local terms energy: -159.533529
where:
bonds (distance) C4'-P energy: -30.618
bonds (distance) P-C4' energy: -30.067
flat angles C4'-P-C4' energy: -29.101
flat angles P-C4'-P energy: -24.252
tors. eta vs tors. theta energy: -45.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -449.450844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.450844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.450844 (E_RNA)
where:
Base-Base interactions energy: -325.333
where: short stacking energy: -140.798
Base-Backbone interact. energy: -0.299
local terms energy: -133.819391
where:
bonds (distance) C4'-P energy: -20.599
bonds (distance) P-C4' energy: -27.002
flat angles C4'-P-C4' energy: -28.169
flat angles P-C4'-P energy: -16.255
tors. eta vs tors. theta energy: -41.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -461.834139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.834139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.834139 (E_RNA)
where:
Base-Base interactions energy: -332.421
where: short stacking energy: -141.860
Base-Backbone interact. energy: -0.537
local terms energy: -138.876311
where:
bonds (distance) C4'-P energy: -23.393
bonds (distance) P-C4' energy: -27.119
flat angles C4'-P-C4' energy: -25.095
flat angles P-C4'-P energy: -21.968
tors. eta vs tors. theta energy: -41.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -403.818872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.818872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.818872 (E_RNA)
where:
Base-Base interactions energy: -282.375
where: short stacking energy: -105.368
Base-Backbone interact. energy: -0.654
local terms energy: -130.790128
where:
bonds (distance) C4'-P energy: -29.583
bonds (distance) P-C4' energy: -21.648
flat angles C4'-P-C4' energy: -22.569
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: -38.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -347.918603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.918603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.918603 (E_RNA)
where:
Base-Base interactions energy: -233.366
where: short stacking energy: -106.647
Base-Backbone interact. energy: -0.274
local terms energy: -124.278826
where:
bonds (distance) C4'-P energy: -26.084
bonds (distance) P-C4' energy: -26.313
flat angles C4'-P-C4' energy: -25.018
flat angles P-C4'-P energy: -16.048
tors. eta vs tors. theta energy: -30.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -252.454205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.454205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.454205 (E_RNA)
where:
Base-Base interactions energy: -140.637
where: short stacking energy: -81.751
Base-Backbone interact. energy: -0.346
local terms energy: -121.471305
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -29.394
flat angles C4'-P-C4' energy: -21.943
flat angles P-C4'-P energy: -20.779
tors. eta vs tors. theta energy: -21.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -133.667775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.667775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.667775 (E_RNA)
where:
Base-Base interactions energy: -64.815
where: short stacking energy: -50.622
Base-Backbone interact. energy: -0.270
local terms energy: -78.582618
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -24.482
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -130.848888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.848888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.848888 (E_RNA)
where:
Base-Base interactions energy: -40.756
where: short stacking energy: -40.663
Base-Backbone interact. energy: -0.731
local terms energy: -99.362048
where:
bonds (distance) C4'-P energy: -24.758
bonds (distance) P-C4' energy: -23.241
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -17.667
tors. eta vs tors. theta energy: -3.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -119.659735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.659735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.659735 (E_RNA)
where:
Base-Base interactions energy: -53.037
where: short stacking energy: -31.973
Base-Backbone interact. energy: 0.570
local terms energy: -77.192867
where:
bonds (distance) C4'-P energy: -25.283
bonds (distance) P-C4' energy: -27.504
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: 2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -493.744447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.744447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.744447 (E_RNA)
where:
Base-Base interactions energy: -355.077
where: short stacking energy: -138.614
Base-Backbone interact. energy: -0.197
local terms energy: -148.470747
where:
bonds (distance) C4'-P energy: -21.062
bonds (distance) P-C4' energy: -29.822
flat angles C4'-P-C4' energy: -32.012
flat angles P-C4'-P energy: -24.110
tors. eta vs tors. theta energy: -41.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -486.368904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.368904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.368904 (E_RNA)
where:
Base-Base interactions energy: -347.081
where: short stacking energy: -140.736
Base-Backbone interact. energy: -0.016
local terms energy: -149.271505
where:
bonds (distance) C4'-P energy: -28.282
bonds (distance) P-C4' energy: -26.834
flat angles C4'-P-C4' energy: -28.579
flat angles P-C4'-P energy: -20.537
tors. eta vs tors. theta energy: -45.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -457.541845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.541845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.541845 (E_RNA)
where:
Base-Base interactions energy: -331.649
where: short stacking energy: -123.581
Base-Backbone interact. energy: -0.424
local terms energy: -135.468595
where:
bonds (distance) C4'-P energy: -21.791
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -32.733
flat angles P-C4'-P energy: -20.854
tors. eta vs tors. theta energy: -39.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -458.396372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.396372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.396372 (E_RNA)
where:
Base-Base interactions energy: -333.471
where: short stacking energy: -139.444
Base-Backbone interact. energy: 0.268
local terms energy: -135.193642
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -24.040
flat angles C4'-P-C4' energy: -27.845
flat angles P-C4'-P energy: -17.254
tors. eta vs tors. theta energy: -39.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -423.060944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.060944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.060944 (E_RNA)
where:
Base-Base interactions energy: -282.807
where: short stacking energy: -123.103
Base-Backbone interact. energy: -0.559
local terms energy: -149.695611
where:
bonds (distance) C4'-P energy: -30.427
bonds (distance) P-C4' energy: -30.373
flat angles C4'-P-C4' energy: -30.030
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -39.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -334.522341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.522341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.522341 (E_RNA)
where:
Base-Base interactions energy: -225.236
where: short stacking energy: -102.725
Base-Backbone interact. energy: -0.850
local terms energy: -118.437221
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -28.749
flat angles C4'-P-C4' energy: -28.908
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -24.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -245.695922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.695922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.695922 (E_RNA)
where:
Base-Base interactions energy: -158.556
where: short stacking energy: -69.828
Base-Backbone interact. energy: -0.385
local terms energy: -96.754341
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -23.071
flat angles C4'-P-C4' energy: -27.148
flat angles P-C4'-P energy: -16.368
tors. eta vs tors. theta energy: -14.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -141.516997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.516997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.516997 (E_RNA)
where:
Base-Base interactions energy: -50.940
where: short stacking energy: -49.398
Base-Backbone interact. energy: -0.273
local terms energy: -100.303606
where:
bonds (distance) C4'-P energy: -23.725
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -26.681
flat angles P-C4'-P energy: -15.727
tors. eta vs tors. theta energy: -7.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -150.897670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.897670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.897670 (E_RNA)
where:
Base-Base interactions energy: -71.012
where: short stacking energy: -42.290
Base-Backbone interact. energy: -1.766
local terms energy: -88.119995
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -27.109
flat angles C4'-P-C4' energy: -22.899
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -6.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -119.042017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.042017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.042017 (E_RNA)
where:
Base-Base interactions energy: -45.686
where: short stacking energy: -34.013
Base-Backbone interact. energy: 0.448
local terms energy: -83.804009
where:
bonds (distance) C4'-P energy: -19.860
bonds (distance) P-C4' energy: -25.447
flat angles C4'-P-C4' energy: -22.034
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -496.893391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.893391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.893391 (E_RNA)
where:
Base-Base interactions energy: -366.064
where: short stacking energy: -143.549
Base-Backbone interact. energy: -1.355
local terms energy: -139.474151
where:
bonds (distance) C4'-P energy: -25.496
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -32.819
flat angles P-C4'-P energy: -17.382
tors. eta vs tors. theta energy: -42.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -500.704926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.704926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.704926 (E_RNA)
where:
Base-Base interactions energy: -362.389
where: short stacking energy: -150.838
Base-Backbone interact. energy: -1.026
local terms energy: -147.290198
where:
bonds (distance) C4'-P energy: -29.391
bonds (distance) P-C4' energy: -20.623
flat angles C4'-P-C4' energy: -30.531
flat angles P-C4'-P energy: -23.052
tors. eta vs tors. theta energy: -43.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -478.120747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.120747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.120747 (E_RNA)
where:
Base-Base interactions energy: -353.559
where: short stacking energy: -154.041
Base-Backbone interact. energy: -1.111
local terms energy: -133.450901
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -22.568
flat angles C4'-P-C4' energy: -31.583
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -44.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -454.361177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.361177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.361177 (E_RNA)
where:
Base-Base interactions energy: -327.753
where: short stacking energy: -139.467
Base-Backbone interact. energy: -0.597
local terms energy: -136.010973
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -21.643
flat angles C4'-P-C4' energy: -28.312
flat angles P-C4'-P energy: -21.247
tors. eta vs tors. theta energy: -44.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -363.799464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.799464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.799464 (E_RNA)
where:
Base-Base interactions energy: -240.474
where: short stacking energy: -105.411
Base-Backbone interact. energy: -1.237
local terms energy: -132.088497
where:
bonds (distance) C4'-P energy: -29.467
bonds (distance) P-C4' energy: -28.054
flat angles C4'-P-C4' energy: -27.987
flat angles P-C4'-P energy: -18.257
tors. eta vs tors. theta energy: -28.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -370.541067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.541067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.541067 (E_RNA)
where:
Base-Base interactions energy: -254.210
where: short stacking energy: -115.635
Base-Backbone interact. energy: -0.467
local terms energy: -125.863146
where:
bonds (distance) C4'-P energy: -25.310
bonds (distance) P-C4' energy: -24.901
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -20.629
tors. eta vs tors. theta energy: -34.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -238.177643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.177643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.177643 (E_RNA)
where:
Base-Base interactions energy: -139.933
where: short stacking energy: -85.644
Base-Backbone interact. energy: -1.130
local terms energy: -107.114925
where:
bonds (distance) C4'-P energy: -23.863
bonds (distance) P-C4' energy: -23.916
flat angles C4'-P-C4' energy: -28.811
flat angles P-C4'-P energy: -14.217
tors. eta vs tors. theta energy: -16.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -150.460198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.460198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.460198 (E_RNA)
where:
Base-Base interactions energy: -74.311
where: short stacking energy: -73.664
Base-Backbone interact. energy: -0.128
local terms energy: -86.020490
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -18.670
flat angles P-C4'-P energy: -16.547
tors. eta vs tors. theta energy: -10.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -157.932349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.932349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.932349 (E_RNA)
where:
Base-Base interactions energy: -70.435
where: short stacking energy: -49.706
Base-Backbone interact. energy: -0.157
local terms energy: -97.340330
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -23.575
flat angles C4'-P-C4' energy: -23.997
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -8.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -118.297454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.297454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.297454 (E_RNA)
where:
Base-Base interactions energy: -49.331
where: short stacking energy: -43.565
Base-Backbone interact. energy: 0.068
local terms energy: -79.034073
where:
bonds (distance) C4'-P energy: -20.554
bonds (distance) P-C4' energy: -26.168
flat angles C4'-P-C4' energy: -22.638
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: 2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -505.575623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.575623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.575623 (E_RNA)
where:
Base-Base interactions energy: -369.419
where: short stacking energy: -141.424
Base-Backbone interact. energy: -0.130
local terms energy: -146.027527
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -25.402
flat angles C4'-P-C4' energy: -29.440
flat angles P-C4'-P energy: -21.150
tors. eta vs tors. theta energy: -44.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -488.556315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.556315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.556315 (E_RNA)
where:
Base-Base interactions energy: -351.124
where: short stacking energy: -148.582
Base-Backbone interact. energy: -0.320
local terms energy: -147.112572
where:
bonds (distance) C4'-P energy: -24.262
bonds (distance) P-C4' energy: -29.309
flat angles C4'-P-C4' energy: -31.917
flat angles P-C4'-P energy: -15.994
tors. eta vs tors. theta energy: -45.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -476.805556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.805556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.805556 (E_RNA)
where:
Base-Base interactions energy: -347.516
where: short stacking energy: -146.087
Base-Backbone interact. energy: -0.166
local terms energy: -139.123368
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -28.042
flat angles C4'-P-C4' energy: -28.525
flat angles P-C4'-P energy: -20.512
tors. eta vs tors. theta energy: -42.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -468.043273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.043273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.043273 (E_RNA)
where:
Base-Base interactions energy: -335.029
where: short stacking energy: -148.171
Base-Backbone interact. energy: -0.448
local terms energy: -142.566131
where:
bonds (distance) C4'-P energy: -26.545
bonds (distance) P-C4' energy: -24.426
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -16.395
tors. eta vs tors. theta energy: -43.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -359.308693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.308693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.308693 (E_RNA)
where:
Base-Base interactions energy: -239.271
where: short stacking energy: -107.247
Base-Backbone interact. energy: -0.881
local terms energy: -129.156315
where:
bonds (distance) C4'-P energy: -29.847
bonds (distance) P-C4' energy: -23.677
flat angles C4'-P-C4' energy: -26.798
flat angles P-C4'-P energy: -23.573
tors. eta vs tors. theta energy: -25.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -408.267681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.267681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.267681 (E_RNA)
where:
Base-Base interactions energy: -296.185
where: short stacking energy: -128.694
Base-Backbone interact. energy: -1.093
local terms energy: -120.989358
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -24.076
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -35.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -216.770408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.770408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.770408 (E_RNA)
where:
Base-Base interactions energy: -127.448
where: short stacking energy: -66.736
Base-Backbone interact. energy: -0.683
local terms energy: -98.639769
where:
bonds (distance) C4'-P energy: -31.133
bonds (distance) P-C4' energy: -21.094
flat angles C4'-P-C4' energy: -22.300
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -10.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -159.011649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.011649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.011649 (E_RNA)
where:
Base-Base interactions energy: -78.882
where: short stacking energy: -52.788
Base-Backbone interact. energy: -0.283
local terms energy: -89.845973
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -30.416
flat angles C4'-P-C4' energy: -25.132
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -121.180464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.180464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.180464 (E_RNA)
where:
Base-Base interactions energy: -49.922
where: short stacking energy: -49.341
Base-Backbone interact. energy: -0.305
local terms energy: -80.953547
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -20.093
flat angles C4'-P-C4' energy: -22.612
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -8.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -116.660008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.660008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.660008 (E_RNA)
where:
Base-Base interactions energy: -52.405
where: short stacking energy: -51.850
Base-Backbone interact. energy: -0.636
local terms energy: -73.618809
where:
bonds (distance) C4'-P energy: -22.193
bonds (distance) P-C4' energy: -22.525
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -4.666
tors. eta vs tors. theta energy: -5.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -498.498406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.498406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.498406 (E_RNA)
where:
Base-Base interactions energy: -360.766
where: short stacking energy: -141.239
Base-Backbone interact. energy: -0.138
local terms energy: -147.594517
where:
bonds (distance) C4'-P energy: -29.513
bonds (distance) P-C4' energy: -27.190
flat angles C4'-P-C4' energy: -28.410
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -41.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -487.029861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.029861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.029861 (E_RNA)
where:
Base-Base interactions energy: -344.319
where: short stacking energy: -142.841
Base-Backbone interact. energy: -0.027
local terms energy: -152.683657
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -28.796
flat angles C4'-P-C4' energy: -30.572
flat angles P-C4'-P energy: -22.828
tors. eta vs tors. theta energy: -45.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -482.052392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.052392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.052392 (E_RNA)
where:
Base-Base interactions energy: -348.360
where: short stacking energy: -144.566
Base-Backbone interact. energy: -0.002
local terms energy: -143.690919
where:
bonds (distance) C4'-P energy: -23.660
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -32.783
flat angles P-C4'-P energy: -21.408
tors. eta vs tors. theta energy: -44.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -464.229653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.229653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.229653 (E_RNA)
where:
Base-Base interactions energy: -327.068
where: short stacking energy: -136.736
Base-Backbone interact. energy: -1.151
local terms energy: -146.010120
where:
bonds (distance) C4'-P energy: -24.151
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -28.818
flat angles P-C4'-P energy: -24.016
tors. eta vs tors. theta energy: -42.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -403.533546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.533546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.533546 (E_RNA)
where:
Base-Base interactions energy: -280.533
where: short stacking energy: -113.227
Base-Backbone interact. energy: -1.065
local terms energy: -131.935330
where:
bonds (distance) C4'-P energy: -28.004
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -30.237
flat angles P-C4'-P energy: -16.336
tors. eta vs tors. theta energy: -36.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -363.435303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.435303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.435303 (E_RNA)
where:
Base-Base interactions energy: -237.419
where: short stacking energy: -105.569
Base-Backbone interact. energy: 0.659
local terms energy: -136.676210
where:
bonds (distance) C4'-P energy: -28.846
bonds (distance) P-C4' energy: -30.659
flat angles C4'-P-C4' energy: -24.869
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -33.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -234.598298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.598298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.598298 (E_RNA)
where:
Base-Base interactions energy: -159.728
where: short stacking energy: -93.952
Base-Backbone interact. energy: -1.688
local terms energy: -83.182108
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -176.855232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.855232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.855232 (E_RNA)
where:
Base-Base interactions energy: -91.471
where: short stacking energy: -60.205
Base-Backbone interact. energy: -0.131
local terms energy: -95.252945
where:
bonds (distance) C4'-P energy: -20.895
bonds (distance) P-C4' energy: -26.921
flat angles C4'-P-C4' energy: -22.622
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -127.055027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.055027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.055027 (E_RNA)
where:
Base-Base interactions energy: -54.407
where: short stacking energy: -51.722
Base-Backbone interact. energy: -0.251
local terms energy: -82.396997
where:
bonds (distance) C4'-P energy: -23.216
bonds (distance) P-C4' energy: -18.162
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -124.941324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.941324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.941324 (E_RNA)
where:
Base-Base interactions energy: -46.664
where: short stacking energy: -46.299
Base-Backbone interact. energy: -0.319
local terms energy: -87.958602
where:
bonds (distance) C4'-P energy: -26.799
bonds (distance) P-C4' energy: -25.401
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -2.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -503.378184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.378184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.378184 (E_RNA)
where:
Base-Base interactions energy: -366.636
where: short stacking energy: -141.686
Base-Backbone interact. energy: -0.361
local terms energy: -146.381051
where:
bonds (distance) C4'-P energy: -29.104
bonds (distance) P-C4' energy: -27.472
flat angles C4'-P-C4' energy: -28.756
flat angles P-C4'-P energy: -16.334
tors. eta vs tors. theta energy: -44.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -484.020858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.020858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.020858 (E_RNA)
where:
Base-Base interactions energy: -348.299
where: short stacking energy: -149.166
Base-Backbone interact. energy: -0.176
local terms energy: -145.546352
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -26.257
flat angles C4'-P-C4' energy: -29.443
flat angles P-C4'-P energy: -21.249
tors. eta vs tors. theta energy: -42.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -476.123820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.123820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.123820 (E_RNA)
where:
Base-Base interactions energy: -342.419
where: short stacking energy: -141.632
Base-Backbone interact. energy: -0.222
local terms energy: -143.483459
where:
bonds (distance) C4'-P energy: -23.636
bonds (distance) P-C4' energy: -29.503
flat angles C4'-P-C4' energy: -25.956
flat angles P-C4'-P energy: -22.965
tors. eta vs tors. theta energy: -41.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -453.766755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.766755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.766755 (E_RNA)
where:
Base-Base interactions energy: -336.214
where: short stacking energy: -140.713
Base-Backbone interact. energy: 0.333
local terms energy: -127.886021
where:
bonds (distance) C4'-P energy: -24.126
bonds (distance) P-C4' energy: -27.587
flat angles C4'-P-C4' energy: -23.391
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -39.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -385.260851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.260851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.260851 (E_RNA)
where:
Base-Base interactions energy: -267.636
where: short stacking energy: -112.433
Base-Backbone interact. energy: -0.451
local terms energy: -127.173923
where:
bonds (distance) C4'-P energy: -23.795
bonds (distance) P-C4' energy: -25.128
flat angles C4'-P-C4' energy: -26.439
flat angles P-C4'-P energy: -21.288
tors. eta vs tors. theta energy: -30.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -357.769020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.769020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.769020 (E_RNA)
where:
Base-Base interactions energy: -251.225
where: short stacking energy: -114.367
Base-Backbone interact. energy: 1.165
local terms energy: -117.708550
where:
bonds (distance) C4'-P energy: -22.858
bonds (distance) P-C4' energy: -24.157
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -15.729
tors. eta vs tors. theta energy: -33.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -238.107796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.107796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.107796 (E_RNA)
where:
Base-Base interactions energy: -146.975
where: short stacking energy: -77.345
Base-Backbone interact. energy: -0.353
local terms energy: -100.780071
where:
bonds (distance) C4'-P energy: -24.163
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -26.188
flat angles P-C4'-P energy: -17.175
tors. eta vs tors. theta energy: -16.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -187.367501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.367501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.367501 (E_RNA)
where:
Base-Base interactions energy: -110.813
where: short stacking energy: -77.414
Base-Backbone interact. energy: -0.177
local terms energy: -86.378060
where:
bonds (distance) C4'-P energy: -22.379
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -24.200
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -12.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -156.087451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.087451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.087451 (E_RNA)
where:
Base-Base interactions energy: -64.174
where: short stacking energy: -53.988
Base-Backbone interact. energy: -0.066
local terms energy: -101.847854
where:
bonds (distance) C4'-P energy: -27.086
bonds (distance) P-C4' energy: -28.605
flat angles C4'-P-C4' energy: -20.932
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -12.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -135.279598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.279598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.279598 (E_RNA)
where:
Base-Base interactions energy: -65.355
where: short stacking energy: -57.868
Base-Backbone interact. energy: 0.900
local terms energy: -80.824264
where:
bonds (distance) C4'-P energy: -21.594
bonds (distance) P-C4' energy: -23.087
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -7.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -493.958373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.958373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.958373 (E_RNA)
where:
Base-Base interactions energy: -351.698
where: short stacking energy: -140.255
Base-Backbone interact. energy: -1.096
local terms energy: -151.163719
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -27.583
flat angles C4'-P-C4' energy: -32.536
flat angles P-C4'-P energy: -23.037
tors. eta vs tors. theta energy: -44.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -488.968736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.968736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.968736 (E_RNA)
where:
Base-Base interactions energy: -359.534
where: short stacking energy: -143.027
Base-Backbone interact. energy: -0.225
local terms energy: -139.208785
where:
bonds (distance) C4'-P energy: -24.524
bonds (distance) P-C4' energy: -28.757
flat angles C4'-P-C4' energy: -27.889
flat angles P-C4'-P energy: -16.378
tors. eta vs tors. theta energy: -41.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -475.438433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.438433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.438433 (E_RNA)
where:
Base-Base interactions energy: -338.917
where: short stacking energy: -143.940
Base-Backbone interact. energy: -0.090
local terms energy: -146.431470
where:
bonds (distance) C4'-P energy: -26.808
bonds (distance) P-C4' energy: -28.234
flat angles C4'-P-C4' energy: -27.032
flat angles P-C4'-P energy: -22.108
tors. eta vs tors. theta energy: -42.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -456.068817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.068817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.068817 (E_RNA)
where:
Base-Base interactions energy: -326.369
where: short stacking energy: -131.151
Base-Backbone interact. energy: -0.304
local terms energy: -139.395648
where:
bonds (distance) C4'-P energy: -28.730
bonds (distance) P-C4' energy: -24.396
flat angles C4'-P-C4' energy: -27.225
flat angles P-C4'-P energy: -19.442
tors. eta vs tors. theta energy: -39.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -371.031101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.031101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.031101 (E_RNA)
where:
Base-Base interactions energy: -258.232
where: short stacking energy: -123.015
Base-Backbone interact. energy: -0.215
local terms energy: -122.583369
where:
bonds (distance) C4'-P energy: -21.675
bonds (distance) P-C4' energy: -26.522
flat angles C4'-P-C4' energy: -22.009
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -34.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -395.060396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.060396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.060396 (E_RNA)
where:
Base-Base interactions energy: -261.915
where: short stacking energy: -109.942
Base-Backbone interact. energy: -0.512
local terms energy: -142.633645
where:
bonds (distance) C4'-P energy: -26.060
bonds (distance) P-C4' energy: -27.792
flat angles C4'-P-C4' energy: -30.488
flat angles P-C4'-P energy: -24.982
tors. eta vs tors. theta energy: -33.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -297.608039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.608039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.608039 (E_RNA)
where:
Base-Base interactions energy: -186.628
where: short stacking energy: -95.658
Base-Backbone interact. energy: -0.143
local terms energy: -120.836303
where:
bonds (distance) C4'-P energy: -28.779
bonds (distance) P-C4' energy: -24.280
flat angles C4'-P-C4' energy: -29.187
flat angles P-C4'-P energy: -18.936
tors. eta vs tors. theta energy: -19.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -189.890025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.890025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.890025 (E_RNA)
where:
Base-Base interactions energy: -108.526
where: short stacking energy: -55.779
Base-Backbone interact. energy: 1.014
local terms energy: -92.378824
where:
bonds (distance) C4'-P energy: -23.802
bonds (distance) P-C4' energy: -25.354
flat angles C4'-P-C4' energy: -22.169
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -7.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -122.851725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.851725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.851725 (E_RNA)
where:
Base-Base interactions energy: -53.681
where: short stacking energy: -52.187
Base-Backbone interact. energy: -0.112
local terms energy: -79.058454
where:
bonds (distance) C4'-P energy: -23.776
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -5.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -110.742786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.742786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.742786 (E_RNA)
where:
Base-Base interactions energy: -53.549
where: short stacking energy: -49.949
Base-Backbone interact. energy: -0.363
local terms energy: -66.831171
where:
bonds (distance) C4'-P energy: -15.768
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -492.114414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.114414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.114414 (E_RNA)
where:
Base-Base interactions energy: -356.395
where: short stacking energy: -148.458
Base-Backbone interact. energy: -0.851
local terms energy: -144.868179
where:
bonds (distance) C4'-P energy: -24.602
bonds (distance) P-C4' energy: -28.143
flat angles C4'-P-C4' energy: -30.139
flat angles P-C4'-P energy: -20.984
tors. eta vs tors. theta energy: -40.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -486.834795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.834795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.834795 (E_RNA)
where:
Base-Base interactions energy: -346.044
where: short stacking energy: -148.905
Base-Backbone interact. energy: -0.412
local terms energy: -150.378448
where:
bonds (distance) C4'-P energy: -25.050
bonds (distance) P-C4' energy: -30.728
flat angles C4'-P-C4' energy: -29.837
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -43.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -480.772138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.772138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.772138 (E_RNA)
where:
Base-Base interactions energy: -341.217
where: short stacking energy: -144.267
Base-Backbone interact. energy: -0.069
local terms energy: -149.486284
where:
bonds (distance) C4'-P energy: -28.936
bonds (distance) P-C4' energy: -31.260
flat angles C4'-P-C4' energy: -30.771
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -41.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -454.598216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.598216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.598216 (E_RNA)
where:
Base-Base interactions energy: -327.482
where: short stacking energy: -131.122
Base-Backbone interact. energy: -0.223
local terms energy: -136.893840
where:
bonds (distance) C4'-P energy: -20.713
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -32.913
flat angles P-C4'-P energy: -21.873
tors. eta vs tors. theta energy: -36.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -367.176949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.176949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.176949 (E_RNA)
where:
Base-Base interactions energy: -253.179
where: short stacking energy: -127.244
Base-Backbone interact. energy: -0.548
local terms energy: -123.449672
where:
bonds (distance) C4'-P energy: -21.345
bonds (distance) P-C4' energy: -20.494
flat angles C4'-P-C4' energy: -30.424
flat angles P-C4'-P energy: -15.957
tors. eta vs tors. theta energy: -35.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -406.738986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.738986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.738986 (E_RNA)
where:
Base-Base interactions energy: -287.438
where: short stacking energy: -118.193
Base-Backbone interact. energy: -0.344
local terms energy: -128.957058
where:
bonds (distance) C4'-P energy: -24.008
bonds (distance) P-C4' energy: -24.405
flat angles C4'-P-C4' energy: -26.470
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -39.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -301.194801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.194801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.194801 (E_RNA)
where:
Base-Base interactions energy: -203.732
where: short stacking energy: -87.751
Base-Backbone interact. energy: -0.522
local terms energy: -106.940725
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -26.375
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -26.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -216.783142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.783142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.783142 (E_RNA)
where:
Base-Base interactions energy: -123.626
where: short stacking energy: -73.335
Base-Backbone interact. energy: 0.795
local terms energy: -103.952045
where:
bonds (distance) C4'-P energy: -20.622
bonds (distance) P-C4' energy: -29.224
flat angles C4'-P-C4' energy: -27.392
flat angles P-C4'-P energy: -17.376
tors. eta vs tors. theta energy: -9.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -126.794386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.794386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.794386 (E_RNA)
where:
Base-Base interactions energy: -53.604
where: short stacking energy: -49.216
Base-Backbone interact. energy: -0.530
local terms energy: -82.660717
where:
bonds (distance) C4'-P energy: -23.679
bonds (distance) P-C4' energy: -27.899
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -3.983
tors. eta vs tors. theta energy: -8.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -121.151258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.151258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.151258 (E_RNA)
where:
Base-Base interactions energy: -56.666
where: short stacking energy: -43.916
Base-Backbone interact. energy: -1.136
local terms energy: -73.349719
where:
bonds (distance) C4'-P energy: -20.283
bonds (distance) P-C4' energy: -25.380
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: 3.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -496.082244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.082244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.082244 (E_RNA)
where:
Base-Base interactions energy: -362.935
where: short stacking energy: -143.463
Base-Backbone interact. energy: -0.268
local terms energy: -142.879074
where:
bonds (distance) C4'-P energy: -25.540
bonds (distance) P-C4' energy: -27.883
flat angles C4'-P-C4' energy: -23.665
flat angles P-C4'-P energy: -24.166
tors. eta vs tors. theta energy: -41.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -490.823214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.823214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.823214 (E_RNA)
where:
Base-Base interactions energy: -345.448
where: short stacking energy: -142.787
Base-Backbone interact. energy: -0.243
local terms energy: -155.132633
where:
bonds (distance) C4'-P energy: -28.278
bonds (distance) P-C4' energy: -28.955
flat angles C4'-P-C4' energy: -30.255
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: -45.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -481.337397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.337397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.337397 (E_RNA)
where:
Base-Base interactions energy: -345.588
where: short stacking energy: -145.411
Base-Backbone interact. energy: -0.218
local terms energy: -145.532155
where:
bonds (distance) C4'-P energy: -24.026
bonds (distance) P-C4' energy: -28.629
flat angles C4'-P-C4' energy: -29.681
flat angles P-C4'-P energy: -21.122
tors. eta vs tors. theta energy: -42.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -466.532861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.532861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.532861 (E_RNA)
where:
Base-Base interactions energy: -328.486
where: short stacking energy: -138.728
Base-Backbone interact. energy: -1.011
local terms energy: -147.035049
where:
bonds (distance) C4'-P energy: -24.312
bonds (distance) P-C4' energy: -30.964
flat angles C4'-P-C4' energy: -26.409
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -41.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -401.831608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.831608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.831608 (E_RNA)
where:
Base-Base interactions energy: -279.406
where: short stacking energy: -112.652
Base-Backbone interact. energy: -0.092
local terms energy: -132.333435
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -25.915
flat angles C4'-P-C4' energy: -30.967
flat angles P-C4'-P energy: -19.338
tors. eta vs tors. theta energy: -32.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -363.828282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.828282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.828282 (E_RNA)
where:
Base-Base interactions energy: -246.005
where: short stacking energy: -111.257
Base-Backbone interact. energy: -1.241
local terms energy: -126.582470
where:
bonds (distance) C4'-P energy: -28.631
bonds (distance) P-C4' energy: -20.575
flat angles C4'-P-C4' energy: -30.116
flat angles P-C4'-P energy: -13.244
tors. eta vs tors. theta energy: -34.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -299.835618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.835618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.835618 (E_RNA)
where:
Base-Base interactions energy: -199.144
where: short stacking energy: -85.872
Base-Backbone interact. energy: -1.294
local terms energy: -109.397173
where:
bonds (distance) C4'-P energy: -25.494
bonds (distance) P-C4' energy: -24.774
flat angles C4'-P-C4' energy: -21.796
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -15.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -227.933258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.933258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.933258 (E_RNA)
where:
Base-Base interactions energy: -140.449
where: short stacking energy: -80.007
Base-Backbone interact. energy: 0.069
local terms energy: -97.553855
where:
bonds (distance) C4'-P energy: -22.483
bonds (distance) P-C4' energy: -17.763
flat angles C4'-P-C4' energy: -24.792
flat angles P-C4'-P energy: -12.578
tors. eta vs tors. theta energy: -19.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -184.427328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.427328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.427328 (E_RNA)
where:
Base-Base interactions energy: -90.737
where: short stacking energy: -57.512
Base-Backbone interact. energy: -0.100
local terms energy: -103.590219
where:
bonds (distance) C4'-P energy: -29.097
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -25.950
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -13.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -120.704048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.704048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.704048 (E_RNA)
where:
Base-Base interactions energy: -46.402
where: short stacking energy: -42.476
Base-Backbone interact. energy: -0.191
local terms energy: -84.110353
where:
bonds (distance) C4'-P energy: -23.770
bonds (distance) P-C4' energy: -22.114
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -17.122
tors. eta vs tors. theta energy: -6.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -498.564600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.564600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.564600 (E_RNA)
where:
Base-Base interactions energy: -361.021
where: short stacking energy: -142.011
Base-Backbone interact. energy: -0.735
local terms energy: -146.808404
where:
bonds (distance) C4'-P energy: -31.871
bonds (distance) P-C4' energy: -25.278
flat angles C4'-P-C4' energy: -27.252
flat angles P-C4'-P energy: -18.391
tors. eta vs tors. theta energy: -44.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -494.003904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.003904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.003904 (E_RNA)
where:
Base-Base interactions energy: -351.236
where: short stacking energy: -144.629
Base-Backbone interact. energy: -0.369
local terms energy: -152.399479
where:
bonds (distance) C4'-P energy: -26.957
bonds (distance) P-C4' energy: -24.680
flat angles C4'-P-C4' energy: -30.474
flat angles P-C4'-P energy: -26.608
tors. eta vs tors. theta energy: -43.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -489.237050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.237050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.237050 (E_RNA)
where:
Base-Base interactions energy: -346.850
where: short stacking energy: -143.550
Base-Backbone interact. energy: -0.234
local terms energy: -152.152489
where:
bonds (distance) C4'-P energy: -26.152
bonds (distance) P-C4' energy: -23.849
flat angles C4'-P-C4' energy: -32.697
flat angles P-C4'-P energy: -23.872
tors. eta vs tors. theta energy: -45.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -421.861386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.861386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.861386 (E_RNA)
where:
Base-Base interactions energy: -291.412
where: short stacking energy: -132.742
Base-Backbone interact. energy: -0.230
local terms energy: -140.218933
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -26.534
flat angles C4'-P-C4' energy: -29.544
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -44.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -448.772012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.772012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.772012 (E_RNA)
where:
Base-Base interactions energy: -322.226
where: short stacking energy: -126.970
Base-Backbone interact. energy: -0.798
local terms energy: -135.748049
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -34.554
flat angles P-C4'-P energy: -19.942
tors. eta vs tors. theta energy: -42.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -346.733940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.733940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.733940 (E_RNA)
where:
Base-Base interactions energy: -234.895
where: short stacking energy: -107.433
Base-Backbone interact. energy: -0.067
local terms energy: -121.771907
where:
bonds (distance) C4'-P energy: -27.107
bonds (distance) P-C4' energy: -25.639
flat angles C4'-P-C4' energy: -22.251
flat angles P-C4'-P energy: -18.717
tors. eta vs tors. theta energy: -28.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -272.585551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.585551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.585551 (E_RNA)
where:
Base-Base interactions energy: -182.471
where: short stacking energy: -76.582
Base-Backbone interact. energy: -0.108
local terms energy: -100.006687
where:
bonds (distance) C4'-P energy: -21.001
bonds (distance) P-C4' energy: -18.306
flat angles C4'-P-C4' energy: -26.246
flat angles P-C4'-P energy: -17.645
tors. eta vs tors. theta energy: -16.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -210.605194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.605194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.605194 (E_RNA)
where:
Base-Base interactions energy: -128.701
where: short stacking energy: -80.588
Base-Backbone interact. energy: -0.852
local terms energy: -91.052581
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -25.820
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -15.857
tors. eta vs tors. theta energy: -14.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -226.586685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.586685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.586685 (E_RNA)
where:
Base-Base interactions energy: -134.727
where: short stacking energy: -62.235
Base-Backbone interact. energy: -1.375
local terms energy: -100.484116
where:
bonds (distance) C4'-P energy: -28.366
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -25.263
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -112.954523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.954523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.954523 (E_RNA)
where:
Base-Base interactions energy: -53.517
where: short stacking energy: -44.300
Base-Backbone interact. energy: -0.192
local terms energy: -69.244606
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -497.667661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.667661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.667661 (E_RNA)
where:
Base-Base interactions energy: -352.156
where: short stacking energy: -151.905
Base-Backbone interact. energy: -1.140
local terms energy: -154.371778
where:
bonds (distance) C4'-P energy: -27.611
bonds (distance) P-C4' energy: -27.849
flat angles C4'-P-C4' energy: -31.012
flat angles P-C4'-P energy: -24.678
tors. eta vs tors. theta energy: -43.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -491.239073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.239073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.239073 (E_RNA)
where:
Base-Base interactions energy: -354.678
where: short stacking energy: -134.380
Base-Backbone interact. energy: -0.102
local terms energy: -146.459214
where:
bonds (distance) C4'-P energy: -28.435
bonds (distance) P-C4' energy: -28.223
flat angles C4'-P-C4' energy: -28.899
flat angles P-C4'-P energy: -20.936
tors. eta vs tors. theta energy: -39.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -475.686633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.686633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.686633 (E_RNA)
where:
Base-Base interactions energy: -335.656
where: short stacking energy: -149.150
Base-Backbone interact. energy: -0.575
local terms energy: -149.455883
where:
bonds (distance) C4'-P energy: -25.485
bonds (distance) P-C4' energy: -24.875
flat angles C4'-P-C4' energy: -29.214
flat angles P-C4'-P energy: -21.915
tors. eta vs tors. theta energy: -47.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -456.548560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.548560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.548560 (E_RNA)
where:
Base-Base interactions energy: -330.876
where: short stacking energy: -136.708
Base-Backbone interact. energy: -0.246
local terms energy: -135.427086
where:
bonds (distance) C4'-P energy: -20.427
bonds (distance) P-C4' energy: -23.349
flat angles C4'-P-C4' energy: -28.472
flat angles P-C4'-P energy: -19.543
tors. eta vs tors. theta energy: -43.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -446.089173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.089173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.089173 (E_RNA)
where:
Base-Base interactions energy: -311.633
where: short stacking energy: -126.121
Base-Backbone interact. energy: -0.453
local terms energy: -144.002588
where:
bonds (distance) C4'-P energy: -26.114
bonds (distance) P-C4' energy: -26.722
flat angles C4'-P-C4' energy: -30.879
flat angles P-C4'-P energy: -18.207
tors. eta vs tors. theta energy: -42.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -336.624373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.624373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.624373 (E_RNA)
where:
Base-Base interactions energy: -226.741
where: short stacking energy: -98.053
Base-Backbone interact. energy: -0.240
local terms energy: -119.643236
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -26.904
flat angles C4'-P-C4' energy: -31.604
flat angles P-C4'-P energy: -15.373
tors. eta vs tors. theta energy: -24.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -237.045316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.045316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.045316 (E_RNA)
where:
Base-Base interactions energy: -151.133
where: short stacking energy: -79.263
Base-Backbone interact. energy: -0.135
local terms energy: -95.776572
where:
bonds (distance) C4'-P energy: -21.634
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -22.840
flat angles P-C4'-P energy: -18.012
tors. eta vs tors. theta energy: -20.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -200.524335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.524335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.524335 (E_RNA)
where:
Base-Base interactions energy: -108.790
where: short stacking energy: -66.929
Base-Backbone interact. energy: -1.074
local terms energy: -100.660171
where:
bonds (distance) C4'-P energy: -29.118
bonds (distance) P-C4' energy: -21.871
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -12.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -132.018756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.018756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.018756 (E_RNA)
where:
Base-Base interactions energy: -44.946
where: short stacking energy: -40.636
Base-Backbone interact. energy: -0.367
local terms energy: -96.705713
where:
bonds (distance) C4'-P energy: -22.211
bonds (distance) P-C4' energy: -23.929
flat angles C4'-P-C4' energy: -28.790
flat angles P-C4'-P energy: -16.890
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -201.344410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.344410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.344410 (E_RNA)
where:
Base-Base interactions energy: -129.979
where: short stacking energy: -58.943
Base-Backbone interact. energy: -0.372
local terms energy: -80.992539
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -25.199
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -5.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -496.622032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.622032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.622032 (E_RNA)
where:
Base-Base interactions energy: -356.498
where: short stacking energy: -151.337
Base-Backbone interact. energy: -0.021
local terms energy: -150.103694
where:
bonds (distance) C4'-P energy: -25.330
bonds (distance) P-C4' energy: -27.865
flat angles C4'-P-C4' energy: -33.218
flat angles P-C4'-P energy: -19.229
tors. eta vs tors. theta energy: -44.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -487.432236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.432236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.432236 (E_RNA)
where:
Base-Base interactions energy: -350.519
where: short stacking energy: -137.822
Base-Backbone interact. energy: -0.124
local terms energy: -146.789272
where:
bonds (distance) C4'-P energy: -27.674
bonds (distance) P-C4' energy: -31.327
flat angles C4'-P-C4' energy: -31.950
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -41.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -475.381346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.381346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.381346 (E_RNA)
where:
Base-Base interactions energy: -331.982
where: short stacking energy: -144.310
Base-Backbone interact. energy: -0.251
local terms energy: -153.148284
where:
bonds (distance) C4'-P energy: -25.865
bonds (distance) P-C4' energy: -31.077
flat angles C4'-P-C4' energy: -31.130
flat angles P-C4'-P energy: -22.299
tors. eta vs tors. theta energy: -42.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -458.006329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.006329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.006329 (E_RNA)
where:
Base-Base interactions energy: -325.700
where: short stacking energy: -131.825
Base-Backbone interact. energy: -0.614
local terms energy: -141.692483
where:
bonds (distance) C4'-P energy: -25.910
bonds (distance) P-C4' energy: -27.438
flat angles C4'-P-C4' energy: -30.461
flat angles P-C4'-P energy: -20.166
tors. eta vs tors. theta energy: -37.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -443.745190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.745190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.745190 (E_RNA)
where:
Base-Base interactions energy: -319.509
where: short stacking energy: -133.998
Base-Backbone interact. energy: -0.011
local terms energy: -134.225137
where:
bonds (distance) C4'-P energy: -19.496
bonds (distance) P-C4' energy: -27.538
flat angles C4'-P-C4' energy: -29.623
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -41.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -356.266083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.266083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.266083 (E_RNA)
where:
Base-Base interactions energy: -239.055
where: short stacking energy: -115.225
Base-Backbone interact. energy: -0.203
local terms energy: -127.008136
where:
bonds (distance) C4'-P energy: -24.086
bonds (distance) P-C4' energy: -24.594
flat angles C4'-P-C4' energy: -27.633
flat angles P-C4'-P energy: -18.432
tors. eta vs tors. theta energy: -32.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -220.896415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.896415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.896415 (E_RNA)
where:
Base-Base interactions energy: -132.796
where: short stacking energy: -74.627
Base-Backbone interact. energy: 0.336
local terms energy: -98.435973
where:
bonds (distance) C4'-P energy: -24.974
bonds (distance) P-C4' energy: -29.018
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -10.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -212.467474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.467474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.467474 (E_RNA)
where:
Base-Base interactions energy: -122.864
where: short stacking energy: -70.995
Base-Backbone interact. energy: -1.825
local terms energy: -97.777665
where:
bonds (distance) C4'-P energy: -27.796
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -20.590
flat angles P-C4'-P energy: -16.601
tors. eta vs tors. theta energy: -13.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -121.758367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.758367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.758367 (E_RNA)
where:
Base-Base interactions energy: -49.192
where: short stacking energy: -44.989
Base-Backbone interact. energy: -0.944
local terms energy: -81.622464
where:
bonds (distance) C4'-P energy: -18.777
bonds (distance) P-C4' energy: -27.835
flat angles C4'-P-C4' energy: -21.843
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -7.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -231.211698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.211698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.211698 (E_RNA)
where:
Base-Base interactions energy: -145.792
where: short stacking energy: -77.733
Base-Backbone interact. energy: 0.185
local terms energy: -95.605230
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -19.043
flat angles C4'-P-C4' energy: -27.867
flat angles P-C4'-P energy: -15.545
tors. eta vs tors. theta energy: -15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -493.132879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.132879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.132879 (E_RNA)
where:
Base-Base interactions energy: -355.821
where: short stacking energy: -141.709
Base-Backbone interact. energy: -0.936
local terms energy: -146.376400
where:
bonds (distance) C4'-P energy: -28.949
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -30.077
flat angles P-C4'-P energy: -22.070
tors. eta vs tors. theta energy: -38.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -487.611950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.611950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.611950 (E_RNA)
where:
Base-Base interactions energy: -343.106
where: short stacking energy: -150.926
Base-Backbone interact. energy: -0.013
local terms energy: -154.492549
where:
bonds (distance) C4'-P energy: -28.575
bonds (distance) P-C4' energy: -26.106
flat angles C4'-P-C4' energy: -28.768
flat angles P-C4'-P energy: -24.615
tors. eta vs tors. theta energy: -46.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -476.102044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.102044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.102044 (E_RNA)
where:
Base-Base interactions energy: -339.198
where: short stacking energy: -137.907
Base-Backbone interact. energy: -0.228
local terms energy: -146.676615
where:
bonds (distance) C4'-P energy: -25.547
bonds (distance) P-C4' energy: -26.332
flat angles C4'-P-C4' energy: -29.495
flat angles P-C4'-P energy: -19.516
tors. eta vs tors. theta energy: -45.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -453.671440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.671440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.671440 (E_RNA)
where:
Base-Base interactions energy: -315.552
where: short stacking energy: -127.853
Base-Backbone interact. energy: -0.102
local terms energy: -148.017668
where:
bonds (distance) C4'-P energy: -29.621
bonds (distance) P-C4' energy: -29.649
flat angles C4'-P-C4' energy: -25.803
flat angles P-C4'-P energy: -22.821
tors. eta vs tors. theta energy: -40.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -443.055267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.055267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.055267 (E_RNA)
where:
Base-Base interactions energy: -324.987
where: short stacking energy: -131.805
Base-Backbone interact. energy: -1.785
local terms energy: -126.283213
where:
bonds (distance) C4'-P energy: -23.221
bonds (distance) P-C4' energy: -10.709
flat angles C4'-P-C4' energy: -30.927
flat angles P-C4'-P energy: -20.286
tors. eta vs tors. theta energy: -41.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -340.791203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.791203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.791203 (E_RNA)
where:
Base-Base interactions energy: -217.625
where: short stacking energy: -102.521
Base-Backbone interact. energy: -0.050
local terms energy: -133.116535
where:
bonds (distance) C4'-P energy: -28.730
bonds (distance) P-C4' energy: -26.830
flat angles C4'-P-C4' energy: -25.414
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -29.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -203.896772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.896772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.896772 (E_RNA)
where:
Base-Base interactions energy: -113.115
where: short stacking energy: -64.786
Base-Backbone interact. energy: 0.401
local terms energy: -101.182167
where:
bonds (distance) C4'-P energy: -24.571
bonds (distance) P-C4' energy: -30.288
flat angles C4'-P-C4' energy: -20.518
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -12.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -240.815836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.815836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.815836 (E_RNA)
where:
Base-Base interactions energy: -145.599
where: short stacking energy: -77.242
Base-Backbone interact. energy: -0.855
local terms energy: -104.361158
where:
bonds (distance) C4'-P energy: -28.310
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -16.520
tors. eta vs tors. theta energy: -15.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -262.392817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.392817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.392817 (E_RNA)
where:
Base-Base interactions energy: -166.367
where: short stacking energy: -76.944
Base-Backbone interact. energy: -0.211
local terms energy: -105.814560
where:
bonds (distance) C4'-P energy: -27.644
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -29.230
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -17.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -143.500375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.500375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.500375 (E_RNA)
where:
Base-Base interactions energy: -68.893
where: short stacking energy: -60.445
Base-Backbone interact. energy: -0.099
local terms energy: -84.507837
where:
bonds (distance) C4'-P energy: -26.608
bonds (distance) P-C4' energy: -15.228
flat angles C4'-P-C4' energy: -23.368
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -511.404799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.404799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.404799 (E_RNA)
where:
Base-Base interactions energy: -364.145
where: short stacking energy: -158.054
Base-Backbone interact. energy: -0.343
local terms energy: -156.917402
where:
bonds (distance) C4'-P energy: -26.998
bonds (distance) P-C4' energy: -29.027
flat angles C4'-P-C4' energy: -30.895
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: -47.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -493.052037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.052037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.052037 (E_RNA)
where:
Base-Base interactions energy: -346.871
where: short stacking energy: -138.715
Base-Backbone interact. energy: -0.224
local terms energy: -155.956908
where:
bonds (distance) C4'-P energy: -26.718
bonds (distance) P-C4' energy: -32.055
flat angles C4'-P-C4' energy: -33.426
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -42.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -469.942124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.942124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.942124 (E_RNA)
where:
Base-Base interactions energy: -340.274
where: short stacking energy: -136.673
Base-Backbone interact. energy: -0.055
local terms energy: -139.612908
where:
bonds (distance) C4'-P energy: -23.372
bonds (distance) P-C4' energy: -22.969
flat angles C4'-P-C4' energy: -27.867
flat angles P-C4'-P energy: -21.342
tors. eta vs tors. theta energy: -44.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -456.806842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.806842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.806842 (E_RNA)
where:
Base-Base interactions energy: -320.821
where: short stacking energy: -131.335
Base-Backbone interact. energy: -0.288
local terms energy: -145.698111
where:
bonds (distance) C4'-P energy: -27.272
bonds (distance) P-C4' energy: -25.485
flat angles C4'-P-C4' energy: -28.611
flat angles P-C4'-P energy: -23.825
tors. eta vs tors. theta energy: -40.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -435.231060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.231060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.231060 (E_RNA)
where:
Base-Base interactions energy: -313.803
where: short stacking energy: -132.445
Base-Backbone interact. energy: -0.003
local terms energy: -131.425491
where:
bonds (distance) C4'-P energy: -21.998
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -30.727
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -41.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -345.616461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.616461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.616461 (E_RNA)
where:
Base-Base interactions energy: -231.620
where: short stacking energy: -107.318
Base-Backbone interact. energy: 0.092
local terms energy: -124.088578
where:
bonds (distance) C4'-P energy: -28.980
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -22.786
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -32.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -238.012672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.012672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.012672 (E_RNA)
where:
Base-Base interactions energy: -158.433
where: short stacking energy: -75.368
Base-Backbone interact. energy: -0.702
local terms energy: -88.877699
where:
bonds (distance) C4'-P energy: -25.862
bonds (distance) P-C4' energy: -19.851
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -12.241
tors. eta vs tors. theta energy: -12.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -220.399066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.399066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.399066 (E_RNA)
where:
Base-Base interactions energy: -135.294
where: short stacking energy: -72.291
Base-Backbone interact. energy: -0.280
local terms energy: -94.824855
where:
bonds (distance) C4'-P energy: -24.172
bonds (distance) P-C4' energy: -25.169
flat angles C4'-P-C4' energy: -22.749
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -12.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -226.876608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.876608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.876608 (E_RNA)
where:
Base-Base interactions energy: -147.169
where: short stacking energy: -73.310
Base-Backbone interact. energy: -1.827
local terms energy: -87.879797
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -20.463
flat angles C4'-P-C4' energy: -25.434
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -8.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -116.952912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.952912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.952912 (E_RNA)
where:
Base-Base interactions energy: -55.108
where: short stacking energy: -40.223
Base-Backbone interact. energy: -0.434
local terms energy: -71.410843
where:
bonds (distance) C4'-P energy: -19.187
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -21.602
flat angles P-C4'-P energy: -15.551
tors. eta vs tors. theta energy: 5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -495.574045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.574045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.574045 (E_RNA)
where:
Base-Base interactions energy: -352.716
where: short stacking energy: -154.626
Base-Backbone interact. energy: -0.595
local terms energy: -152.262694
where:
bonds (distance) C4'-P energy: -23.031
bonds (distance) P-C4' energy: -28.304
flat angles C4'-P-C4' energy: -29.025
flat angles P-C4'-P energy: -24.272
tors. eta vs tors. theta energy: -47.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -486.271590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.271590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.271590 (E_RNA)
where:
Base-Base interactions energy: -356.527
where: short stacking energy: -152.661
Base-Backbone interact. energy: -0.048
local terms energy: -139.697128
where:
bonds (distance) C4'-P energy: -24.819
bonds (distance) P-C4' energy: -24.745
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -44.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -487.751082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.751082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.751082 (E_RNA)
where:
Base-Base interactions energy: -346.379
where: short stacking energy: -147.693
Base-Backbone interact. energy: -0.006
local terms energy: -151.366162
where:
bonds (distance) C4'-P energy: -24.842
bonds (distance) P-C4' energy: -26.646
flat angles C4'-P-C4' energy: -31.963
flat angles P-C4'-P energy: -22.492
tors. eta vs tors. theta energy: -45.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -481.606253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.606253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.606253 (E_RNA)
where:
Base-Base interactions energy: -339.292
where: short stacking energy: -140.498
Base-Backbone interact. energy: -0.418
local terms energy: -151.897183
where:
bonds (distance) C4'-P energy: -28.567
bonds (distance) P-C4' energy: -31.365
flat angles C4'-P-C4' energy: -24.141
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -47.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -434.467485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.467485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.467485 (E_RNA)
where:
Base-Base interactions energy: -309.538
where: short stacking energy: -125.496
Base-Backbone interact. energy: -0.434
local terms energy: -134.495667
where:
bonds (distance) C4'-P energy: -23.529
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -29.308
flat angles P-C4'-P energy: -22.553
tors. eta vs tors. theta energy: -38.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -368.534865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.534865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.534865 (E_RNA)
where:
Base-Base interactions energy: -252.643
where: short stacking energy: -113.060
Base-Backbone interact. energy: -0.861
local terms energy: -125.031213
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -31.158
flat angles C4'-P-C4' energy: -26.163
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -29.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -239.930847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.930847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.930847 (E_RNA)
where:
Base-Base interactions energy: -151.398
where: short stacking energy: -98.392
Base-Backbone interact. energy: 0.152
local terms energy: -98.685124
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -24.119
flat angles C4'-P-C4' energy: -23.730
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -21.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -234.987914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.987914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.987914 (E_RNA)
where:
Base-Base interactions energy: -145.929
where: short stacking energy: -78.048
Base-Backbone interact. energy: -0.383
local terms energy: -98.676454
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -26.944
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -23.115
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -234.623204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.623204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.623204 (E_RNA)
where:
Base-Base interactions energy: -152.282
where: short stacking energy: -67.446
Base-Backbone interact. energy: -0.403
local terms energy: -91.938244
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -23.232
flat angles C4'-P-C4' energy: -24.309
flat angles P-C4'-P energy: -16.473
tors. eta vs tors. theta energy: -11.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -111.443249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.443249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.443249 (E_RNA)
where:
Base-Base interactions energy: -45.836
where: short stacking energy: -36.034
Base-Backbone interact. energy: 0.604
local terms energy: -76.211375
where:
bonds (distance) C4'-P energy: -25.385
bonds (distance) P-C4' energy: -28.837
flat angles C4'-P-C4' energy: -9.316
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: 1.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -493.664065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.664065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.664065 (E_RNA)
where:
Base-Base interactions energy: -357.024
where: short stacking energy: -150.657
Base-Backbone interact. energy: -0.561
local terms energy: -146.079269
where:
bonds (distance) C4'-P energy: -25.982
bonds (distance) P-C4' energy: -27.512
flat angles C4'-P-C4' energy: -28.803
flat angles P-C4'-P energy: -21.442
tors. eta vs tors. theta energy: -42.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -496.308796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.308796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.308796 (E_RNA)
where:
Base-Base interactions energy: -345.241
where: short stacking energy: -141.840
Base-Backbone interact. energy: -0.846
local terms energy: -160.220935
where:
bonds (distance) C4'-P energy: -29.103
bonds (distance) P-C4' energy: -30.837
flat angles C4'-P-C4' energy: -33.150
flat angles P-C4'-P energy: -25.146
tors. eta vs tors. theta energy: -41.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -485.297043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.297043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.297043 (E_RNA)
where:
Base-Base interactions energy: -334.404
where: short stacking energy: -149.362
Base-Backbone interact. energy: -0.077
local terms energy: -160.816128
where:
bonds (distance) C4'-P energy: -25.272
bonds (distance) P-C4' energy: -31.155
flat angles C4'-P-C4' energy: -33.924
flat angles P-C4'-P energy: -25.506
tors. eta vs tors. theta energy: -44.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -459.674149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.674149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.674149 (E_RNA)
where:
Base-Base interactions energy: -318.871
where: short stacking energy: -127.364
Base-Backbone interact. energy: -0.160
local terms energy: -150.643514
where:
bonds (distance) C4'-P energy: -28.252
bonds (distance) P-C4' energy: -27.987
flat angles C4'-P-C4' energy: -29.664
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -43.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -466.854161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.854161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.854161 (E_RNA)
where:
Base-Base interactions energy: -330.021
where: short stacking energy: -145.588
Base-Backbone interact. energy: -0.010
local terms energy: -146.822838
where:
bonds (distance) C4'-P energy: -24.825
bonds (distance) P-C4' energy: -26.662
flat angles C4'-P-C4' energy: -29.165
flat angles P-C4'-P energy: -22.229
tors. eta vs tors. theta energy: -43.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -369.443426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.443426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.443426 (E_RNA)
where:
Base-Base interactions energy: -251.943
where: short stacking energy: -111.182
Base-Backbone interact. energy: -0.138
local terms energy: -127.363132
where:
bonds (distance) C4'-P energy: -25.814
bonds (distance) P-C4' energy: -28.167
flat angles C4'-P-C4' energy: -22.389
flat angles P-C4'-P energy: -17.835
tors. eta vs tors. theta energy: -33.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -189.619375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.619375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.619375 (E_RNA)
where:
Base-Base interactions energy: -99.022
where: short stacking energy: -62.331
Base-Backbone interact. energy: -0.345
local terms energy: -100.252516
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -28.796
flat angles C4'-P-C4' energy: -22.954
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -12.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -271.350664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.350664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.350664 (E_RNA)
where:
Base-Base interactions energy: -179.714
where: short stacking energy: -90.115
Base-Backbone interact. energy: -0.170
local terms energy: -101.467316
where:
bonds (distance) C4'-P energy: -25.930
bonds (distance) P-C4' energy: -21.167
flat angles C4'-P-C4' energy: -24.289
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -16.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -210.789159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.789159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.789159 (E_RNA)
where:
Base-Base interactions energy: -126.146
where: short stacking energy: -58.280
Base-Backbone interact. energy: -0.711
local terms energy: -93.932291
where:
bonds (distance) C4'-P energy: -22.330
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -24.293
flat angles P-C4'-P energy: -16.086
tors. eta vs tors. theta energy: -7.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -123.290168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.290168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.290168 (E_RNA)
where:
Base-Base interactions energy: -48.005
where: short stacking energy: -40.141
Base-Backbone interact. energy: -0.398
local terms energy: -84.887233
where:
bonds (distance) C4'-P energy: -24.233
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -24.845
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -3.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -495.877399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.877399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.877399 (E_RNA)
where:
Base-Base interactions energy: -347.008
where: short stacking energy: -150.591
Base-Backbone interact. energy: -0.414
local terms energy: -158.455008
where:
bonds (distance) C4'-P energy: -30.161
bonds (distance) P-C4' energy: -27.923
flat angles C4'-P-C4' energy: -33.413
flat angles P-C4'-P energy: -19.649
tors. eta vs tors. theta energy: -47.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -483.281578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.281578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.281578 (E_RNA)
where:
Base-Base interactions energy: -338.832
where: short stacking energy: -143.473
Base-Backbone interact. energy: -0.501
local terms energy: -153.948530
where:
bonds (distance) C4'-P energy: -26.286
bonds (distance) P-C4' energy: -27.559
flat angles C4'-P-C4' energy: -32.634
flat angles P-C4'-P energy: -23.028
tors. eta vs tors. theta energy: -44.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -463.157870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.157870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.157870 (E_RNA)
where:
Base-Base interactions energy: -328.655
where: short stacking energy: -142.520
Base-Backbone interact. energy: -0.615
local terms energy: -143.888475
where:
bonds (distance) C4'-P energy: -23.685
bonds (distance) P-C4' energy: -25.834
flat angles C4'-P-C4' energy: -28.114
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -47.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -476.970548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.970548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.970548 (E_RNA)
where:
Base-Base interactions energy: -343.221
where: short stacking energy: -141.228
Base-Backbone interact. energy: -0.410
local terms energy: -143.339722
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -29.044
flat angles C4'-P-C4' energy: -31.948
flat angles P-C4'-P energy: -19.069
tors. eta vs tors. theta energy: -46.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -466.298619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.298619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.298619 (E_RNA)
where:
Base-Base interactions energy: -336.458
where: short stacking energy: -139.306
Base-Backbone interact. energy: -0.160
local terms energy: -139.680641
where:
bonds (distance) C4'-P energy: -25.417
bonds (distance) P-C4' energy: -24.085
flat angles C4'-P-C4' energy: -28.705
flat angles P-C4'-P energy: -20.893
tors. eta vs tors. theta energy: -40.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -358.928949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.928949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.928949 (E_RNA)
where:
Base-Base interactions energy: -247.260
where: short stacking energy: -114.953
Base-Backbone interact. energy: -1.094
local terms energy: -120.574367
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -23.303
flat angles C4'-P-C4' energy: -30.973
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -29.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -283.136057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.136057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.136057 (E_RNA)
where:
Base-Base interactions energy: -183.848
where: short stacking energy: -88.736
Base-Backbone interact. energy: -0.106
local terms energy: -109.182768
where:
bonds (distance) C4'-P energy: -23.192
bonds (distance) P-C4' energy: -23.056
flat angles C4'-P-C4' energy: -20.298
flat angles P-C4'-P energy: -20.391
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -184.753646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.753646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.753646 (E_RNA)
where:
Base-Base interactions energy: -105.196
where: short stacking energy: -48.595
Base-Backbone interact. energy: -0.391
local terms energy: -89.166988
where:
bonds (distance) C4'-P energy: -28.232
bonds (distance) P-C4' energy: -27.348
flat angles C4'-P-C4' energy: -23.606
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -0.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -214.915093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.915093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.915093 (E_RNA)
where:
Base-Base interactions energy: -122.519
where: short stacking energy: -67.278
Base-Backbone interact. energy: -0.089
local terms energy: -102.306209
where:
bonds (distance) C4'-P energy: -29.103
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -18.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -135.728516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.728516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.728516 (E_RNA)
where:
Base-Base interactions energy: -70.057
where: short stacking energy: -35.617
Base-Backbone interact. energy: -0.334
local terms energy: -75.337882
where:
bonds (distance) C4'-P energy: -23.020
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: 2.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -498.003656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.003656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.003656 (E_RNA)
where:
Base-Base interactions energy: -357.229
where: short stacking energy: -142.273
Base-Backbone interact. energy: 0.046
local terms energy: -150.821270
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -27.341
flat angles C4'-P-C4' energy: -28.749
flat angles P-C4'-P energy: -26.047
tors. eta vs tors. theta energy: -42.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -489.665089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.665089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.665089 (E_RNA)
where:
Base-Base interactions energy: -346.188
where: short stacking energy: -145.788
Base-Backbone interact. energy: -0.475
local terms energy: -153.001664
where:
bonds (distance) C4'-P energy: -30.114
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -28.626
flat angles P-C4'-P energy: -20.380
tors. eta vs tors. theta energy: -45.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -463.132373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.132373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.132373 (E_RNA)
where:
Base-Base interactions energy: -335.575
where: short stacking energy: -134.281
Base-Backbone interact. energy: -0.317
local terms energy: -137.240766
where:
bonds (distance) C4'-P energy: -24.465
bonds (distance) P-C4' energy: -25.916
flat angles C4'-P-C4' energy: -31.046
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -39.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -470.855231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.855231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.855231 (E_RNA)
where:
Base-Base interactions energy: -333.866
where: short stacking energy: -144.250
Base-Backbone interact. energy: -0.003
local terms energy: -146.986650
where:
bonds (distance) C4'-P energy: -26.031
bonds (distance) P-C4' energy: -25.996
flat angles C4'-P-C4' energy: -28.757
flat angles P-C4'-P energy: -22.147
tors. eta vs tors. theta energy: -44.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -449.647775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.647775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.647775 (E_RNA)
where:
Base-Base interactions energy: -333.900
where: short stacking energy: -134.609
Base-Backbone interact. energy: -0.075
local terms energy: -125.673185
where:
bonds (distance) C4'-P energy: -23.528
bonds (distance) P-C4' energy: -23.467
flat angles C4'-P-C4' energy: -24.561
flat angles P-C4'-P energy: -16.481
tors. eta vs tors. theta energy: -37.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -370.245673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.245673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.245673 (E_RNA)
where:
Base-Base interactions energy: -254.027
where: short stacking energy: -119.936
Base-Backbone interact. energy: -0.596
local terms energy: -125.622425
where:
bonds (distance) C4'-P energy: -24.031
bonds (distance) P-C4' energy: -22.052
flat angles C4'-P-C4' energy: -30.727
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -35.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -328.300550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.300550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.300550 (E_RNA)
where:
Base-Base interactions energy: -234.866
where: short stacking energy: -107.474
Base-Backbone interact. energy: -1.270
local terms energy: -102.164690
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -20.650
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -18.200
tors. eta vs tors. theta energy: -26.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -229.432132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.432132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.432132 (E_RNA)
where:
Base-Base interactions energy: -126.052
where: short stacking energy: -61.883
Base-Backbone interact. energy: 2.385
local terms energy: -115.764961
where:
bonds (distance) C4'-P energy: -29.943
bonds (distance) P-C4' energy: -26.835
flat angles C4'-P-C4' energy: -27.322
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: -14.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -148.772447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.772447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.772447 (E_RNA)
where:
Base-Base interactions energy: -73.515
where: short stacking energy: -50.563
Base-Backbone interact. energy: 2.341
local terms energy: -87.597943
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -21.016
flat angles C4'-P-C4' energy: -19.805
flat angles P-C4'-P energy: -13.361
tors. eta vs tors. theta energy: -8.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -125.399338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.399338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.399338 (E_RNA)
where:
Base-Base interactions energy: -59.627
where: short stacking energy: -36.663
Base-Backbone interact. energy: -1.410
local terms energy: -74.362410
where:
bonds (distance) C4'-P energy: -21.840
bonds (distance) P-C4' energy: -21.267
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -505.149959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.149959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.149959 (E_RNA)
where:
Base-Base interactions energy: -361.363
where: short stacking energy: -149.177
Base-Backbone interact. energy: -0.013
local terms energy: -153.774493
where:
bonds (distance) C4'-P energy: -29.356
bonds (distance) P-C4' energy: -28.390
flat angles C4'-P-C4' energy: -26.494
flat angles P-C4'-P energy: -25.449
tors. eta vs tors. theta energy: -44.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -488.277272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.277272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.277272 (E_RNA)
where:
Base-Base interactions energy: -345.692
where: short stacking energy: -152.507
Base-Backbone interact. energy: -0.328
local terms energy: -152.257538
where:
bonds (distance) C4'-P energy: -24.867
bonds (distance) P-C4' energy: -28.841
flat angles C4'-P-C4' energy: -27.614
flat angles P-C4'-P energy: -24.793
tors. eta vs tors. theta energy: -46.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -457.575304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.575304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.575304 (E_RNA)
where:
Base-Base interactions energy: -330.548
where: short stacking energy: -135.730
Base-Backbone interact. energy: -0.072
local terms energy: -136.955299
where:
bonds (distance) C4'-P energy: -23.941
bonds (distance) P-C4' energy: -27.218
flat angles C4'-P-C4' energy: -29.715
flat angles P-C4'-P energy: -17.377
tors. eta vs tors. theta energy: -38.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -454.530576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.530576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.530576 (E_RNA)
where:
Base-Base interactions energy: -323.162
where: short stacking energy: -144.218
Base-Backbone interact. energy: -0.039
local terms energy: -141.329204
where:
bonds (distance) C4'-P energy: -24.288
bonds (distance) P-C4' energy: -27.195
flat angles C4'-P-C4' energy: -30.826
flat angles P-C4'-P energy: -18.765
tors. eta vs tors. theta energy: -40.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -462.537219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.537219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.537219 (E_RNA)
where:
Base-Base interactions energy: -331.749
where: short stacking energy: -131.916
Base-Backbone interact. energy: -0.555
local terms energy: -140.232625
where:
bonds (distance) C4'-P energy: -26.315
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -30.041
flat angles P-C4'-P energy: -18.867
tors. eta vs tors. theta energy: -40.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -366.958894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.958894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.958894 (E_RNA)
where:
Base-Base interactions energy: -240.335
where: short stacking energy: -112.375
Base-Backbone interact. energy: 0.154
local terms energy: -136.778240
where:
bonds (distance) C4'-P energy: -25.112
bonds (distance) P-C4' energy: -30.344
flat angles C4'-P-C4' energy: -27.967
flat angles P-C4'-P energy: -21.799
tors. eta vs tors. theta energy: -31.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -322.985914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.985914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.985914 (E_RNA)
where:
Base-Base interactions energy: -218.061
where: short stacking energy: -109.890
Base-Backbone interact. energy: -1.081
local terms energy: -113.843487
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -26.512
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -21.280
tors. eta vs tors. theta energy: -30.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -234.746633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.746633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.746633 (E_RNA)
where:
Base-Base interactions energy: -137.789
where: short stacking energy: -74.712
Base-Backbone interact. energy: 0.921
local terms energy: -107.878349
where:
bonds (distance) C4'-P energy: -24.363
bonds (distance) P-C4' energy: -27.110
flat angles C4'-P-C4' energy: -25.424
flat angles P-C4'-P energy: -20.400
tors. eta vs tors. theta energy: -10.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -138.814037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.814037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.814037 (E_RNA)
where:
Base-Base interactions energy: -60.277
where: short stacking energy: -53.517
Base-Backbone interact. energy: -1.234
local terms energy: -87.303152
where:
bonds (distance) C4'-P energy: -21.770
bonds (distance) P-C4' energy: -27.384
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -10.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -133.859005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.859005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.859005 (E_RNA)
where:
Base-Base interactions energy: -56.563
where: short stacking energy: -53.092
Base-Backbone interact. energy: -0.013
local terms energy: -87.283400
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -22.179
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -17.741
tors. eta vs tors. theta energy: -5.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -502.644857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.644857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.644857 (E_RNA)
where:
Base-Base interactions energy: -360.874
where: short stacking energy: -158.449
Base-Backbone interact. energy: -0.676
local terms energy: -151.094720
where:
bonds (distance) C4'-P energy: -30.611
bonds (distance) P-C4' energy: -24.647
flat angles C4'-P-C4' energy: -31.559
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -43.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -500.942447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.942447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.942447 (E_RNA)
where:
Base-Base interactions energy: -353.598
where: short stacking energy: -160.830
Base-Backbone interact. energy: -0.020
local terms energy: -157.324586
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -29.206
flat angles C4'-P-C4' energy: -31.302
flat angles P-C4'-P energy: -21.428
tors. eta vs tors. theta energy: -46.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -454.640449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.640449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.640449 (E_RNA)
where:
Base-Base interactions energy: -328.819
where: short stacking energy: -143.918
Base-Backbone interact. energy: -0.077
local terms energy: -135.744133
where:
bonds (distance) C4'-P energy: -26.353
bonds (distance) P-C4' energy: -23.437
flat angles C4'-P-C4' energy: -28.759
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -41.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -475.223110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.223110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.223110 (E_RNA)
where:
Base-Base interactions energy: -340.479
where: short stacking energy: -131.713
Base-Backbone interact. energy: -1.313
local terms energy: -143.430962
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -28.701
flat angles C4'-P-C4' energy: -30.687
flat angles P-C4'-P energy: -23.920
tors. eta vs tors. theta energy: -41.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -472.157290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.157290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.157290 (E_RNA)
where:
Base-Base interactions energy: -335.911
where: short stacking energy: -144.432
Base-Backbone interact. energy: -1.566
local terms energy: -144.680460
where:
bonds (distance) C4'-P energy: -26.478
bonds (distance) P-C4' energy: -28.773
flat angles C4'-P-C4' energy: -28.762
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: -42.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -372.565683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.565683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.565683 (E_RNA)
where:
Base-Base interactions energy: -247.291
where: short stacking energy: -112.546
Base-Backbone interact. energy: -0.497
local terms energy: -134.777298
where:
bonds (distance) C4'-P energy: -26.690
bonds (distance) P-C4' energy: -27.251
flat angles C4'-P-C4' energy: -32.215
flat angles P-C4'-P energy: -16.057
tors. eta vs tors. theta energy: -32.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -338.933874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.933874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.933874 (E_RNA)
where:
Base-Base interactions energy: -229.056
where: short stacking energy: -100.745
Base-Backbone interact. energy: 2.151
local terms energy: -122.029094
where:
bonds (distance) C4'-P energy: -28.141
bonds (distance) P-C4' energy: -29.019
flat angles C4'-P-C4' energy: -25.248
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -25.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -220.470699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.470699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.470699 (E_RNA)
where:
Base-Base interactions energy: -135.313
where: short stacking energy: -74.903
Base-Backbone interact. energy: 0.299
local terms energy: -95.456184
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -28.547
flat angles C4'-P-C4' energy: -23.550
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -12.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -145.854040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.854040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.854040 (E_RNA)
where:
Base-Base interactions energy: -80.491
where: short stacking energy: -48.950
Base-Backbone interact. energy: -0.059
local terms energy: -75.303781
where:
bonds (distance) C4'-P energy: -22.432
bonds (distance) P-C4' energy: -22.170
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -125.039278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.039278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.039278 (E_RNA)
where:
Base-Base interactions energy: -51.663
where: short stacking energy: -51.663
Base-Backbone interact. energy: 1.133
local terms energy: -84.509611
where:
bonds (distance) C4'-P energy: -11.497
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -22.922
flat angles P-C4'-P energy: -16.959
tors. eta vs tors. theta energy: -12.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -499.860953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.860953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.860953 (E_RNA)
where:
Base-Base interactions energy: -347.268
where: short stacking energy: -147.460
Base-Backbone interact. energy: -0.005
local terms energy: -162.587379
where:
bonds (distance) C4'-P energy: -29.951
bonds (distance) P-C4' energy: -29.406
flat angles C4'-P-C4' energy: -32.107
flat angles P-C4'-P energy: -24.552
tors. eta vs tors. theta energy: -46.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -485.910948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.910948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.910948 (E_RNA)
where:
Base-Base interactions energy: -352.298
where: short stacking energy: -154.697
Base-Backbone interact. energy: -0.127
local terms energy: -143.486273
where:
bonds (distance) C4'-P energy: -26.676
bonds (distance) P-C4' energy: -21.338
flat angles C4'-P-C4' energy: -28.840
flat angles P-C4'-P energy: -22.136
tors. eta vs tors. theta energy: -44.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -485.137498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.137498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.137498 (E_RNA)
where:
Base-Base interactions energy: -338.875
where: short stacking energy: -140.161
Base-Backbone interact. energy: 0.778
local terms energy: -157.040463
where:
bonds (distance) C4'-P energy: -26.281
bonds (distance) P-C4' energy: -33.117
flat angles C4'-P-C4' energy: -29.835
flat angles P-C4'-P energy: -23.866
tors. eta vs tors. theta energy: -43.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -464.091005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.091005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.091005 (E_RNA)
where:
Base-Base interactions energy: -319.545
where: short stacking energy: -126.928
Base-Backbone interact. energy: -0.004
local terms energy: -154.542710
where:
bonds (distance) C4'-P energy: -30.302
bonds (distance) P-C4' energy: -32.117
flat angles C4'-P-C4' energy: -26.768
flat angles P-C4'-P energy: -21.017
tors. eta vs tors. theta energy: -44.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -470.548128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.548128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.548128 (E_RNA)
where:
Base-Base interactions energy: -335.889
where: short stacking energy: -139.761
Base-Backbone interact. energy: -0.071
local terms energy: -144.588288
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -31.025
flat angles C4'-P-C4' energy: -31.037
flat angles P-C4'-P energy: -20.516
tors. eta vs tors. theta energy: -40.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -364.885499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.885499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.885499 (E_RNA)
where:
Base-Base interactions energy: -245.874
where: short stacking energy: -119.095
Base-Backbone interact. energy: -1.341
local terms energy: -127.670223
where:
bonds (distance) C4'-P energy: -21.216
bonds (distance) P-C4' energy: -29.277
flat angles C4'-P-C4' energy: -30.500
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -30.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -289.876362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.876362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.876362 (E_RNA)
where:
Base-Base interactions energy: -183.887
where: short stacking energy: -75.973
Base-Backbone interact. energy: 0.613
local terms energy: -116.602012
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -29.199
flat angles C4'-P-C4' energy: -26.453
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -216.214224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.214224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.214224 (E_RNA)
where:
Base-Base interactions energy: -129.394
where: short stacking energy: -73.145
Base-Backbone interact. energy: -1.326
local terms energy: -95.494344
where:
bonds (distance) C4'-P energy: -24.297
bonds (distance) P-C4' energy: -25.761
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -17.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -129.693644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.693644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.693644 (E_RNA)
where:
Base-Base interactions energy: -58.426
where: short stacking energy: -41.281
Base-Backbone interact. energy: 4.010
local terms energy: -85.277966
where:
bonds (distance) C4'-P energy: -22.437
bonds (distance) P-C4' energy: -30.981
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -123.988540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.988540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.988540 (E_RNA)
where:
Base-Base interactions energy: -57.476
where: short stacking energy: -46.743
Base-Backbone interact. energy: -0.263
local terms energy: -76.249059
where:
bonds (distance) C4'-P energy: -19.333
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -14.082
tors. eta vs tors. theta energy: -4.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -502.656210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.656210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.656210 (E_RNA)
where:
Base-Base interactions energy: -356.662
where: short stacking energy: -143.910
Base-Backbone interact. energy: -0.164
local terms energy: -155.829770
where:
bonds (distance) C4'-P energy: -31.763
bonds (distance) P-C4' energy: -31.224
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -21.138
tors. eta vs tors. theta energy: -44.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -489.129355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.129355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.129355 (E_RNA)
where:
Base-Base interactions energy: -350.635
where: short stacking energy: -148.128
Base-Backbone interact. energy: -0.299
local terms energy: -148.194455
where:
bonds (distance) C4'-P energy: -26.379
bonds (distance) P-C4' energy: -25.494
flat angles C4'-P-C4' energy: -32.279
flat angles P-C4'-P energy: -21.905
tors. eta vs tors. theta energy: -42.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -484.559281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.559281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.559281 (E_RNA)
where:
Base-Base interactions energy: -357.052
where: short stacking energy: -140.218
Base-Backbone interact. energy: 0.611
local terms energy: -138.118393
where:
bonds (distance) C4'-P energy: -24.797
bonds (distance) P-C4' energy: -24.773
flat angles C4'-P-C4' energy: -29.898
flat angles P-C4'-P energy: -16.417
tors. eta vs tors. theta energy: -42.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -479.772568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.772568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.772568 (E_RNA)
where:
Base-Base interactions energy: -346.295
where: short stacking energy: -149.985
Base-Backbone interact. energy: 0.823
local terms energy: -144.299809
where:
bonds (distance) C4'-P energy: -25.513
bonds (distance) P-C4' energy: -27.590
flat angles C4'-P-C4' energy: -30.332
flat angles P-C4'-P energy: -16.917
tors. eta vs tors. theta energy: -43.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -440.562788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.562788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.562788 (E_RNA)
where:
Base-Base interactions energy: -314.418
where: short stacking energy: -133.392
Base-Backbone interact. energy: -0.055
local terms energy: -136.089643
where:
bonds (distance) C4'-P energy: -24.234
bonds (distance) P-C4' energy: -24.687
flat angles C4'-P-C4' energy: -27.525
flat angles P-C4'-P energy: -18.670
tors. eta vs tors. theta energy: -40.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -365.775491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.775491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.775491 (E_RNA)
where:
Base-Base interactions energy: -241.593
where: short stacking energy: -118.859
Base-Backbone interact. energy: -0.837
local terms energy: -133.344743
where:
bonds (distance) C4'-P energy: -26.787
bonds (distance) P-C4' energy: -23.307
flat angles C4'-P-C4' energy: -27.003
flat angles P-C4'-P energy: -17.903
tors. eta vs tors. theta energy: -38.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -298.198199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.198199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.198199 (E_RNA)
where:
Base-Base interactions energy: -194.686
where: short stacking energy: -103.124
Base-Backbone interact. energy: -0.246
local terms energy: -113.265413
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -21.842
flat angles C4'-P-C4' energy: -23.280
flat angles P-C4'-P energy: -16.457
tors. eta vs tors. theta energy: -29.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -251.191209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.191209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.191209 (E_RNA)
where:
Base-Base interactions energy: -161.459
where: short stacking energy: -83.843
Base-Backbone interact. energy: -0.187
local terms energy: -99.544948
where:
bonds (distance) C4'-P energy: -24.881
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -14.255
tors. eta vs tors. theta energy: -19.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -174.193684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.193684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.193684 (E_RNA)
where:
Base-Base interactions energy: -90.792
where: short stacking energy: -46.012
Base-Backbone interact. energy: 0.371
local terms energy: -93.772279
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -26.731
flat angles C4'-P-C4' energy: -24.096
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -110.899785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.899785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.899785 (E_RNA)
where:
Base-Base interactions energy: -46.829
where: short stacking energy: -39.784
Base-Backbone interact. energy: -0.360
local terms energy: -73.711396
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -28.254
flat angles C4'-P-C4' energy: -19.401
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: 0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -498.007128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.007128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.007128 (E_RNA)
where:
Base-Base interactions energy: -356.478
where: short stacking energy: -150.648
Base-Backbone interact. energy: -0.991
local terms energy: -150.538266
where:
bonds (distance) C4'-P energy: -25.234
bonds (distance) P-C4' energy: -26.460
flat angles C4'-P-C4' energy: -31.354
flat angles P-C4'-P energy: -22.769
tors. eta vs tors. theta energy: -44.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -483.778065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.778065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.778065 (E_RNA)
where:
Base-Base interactions energy: -353.513
where: short stacking energy: -139.129
Base-Backbone interact. energy: -0.893
local terms energy: -139.371982
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -26.894
flat angles C4'-P-C4' energy: -31.106
flat angles P-C4'-P energy: -20.878
tors. eta vs tors. theta energy: -42.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -489.208717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.208717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.208717 (E_RNA)
where:
Base-Base interactions energy: -351.235
where: short stacking energy: -147.432
Base-Backbone interact. energy: -0.000
local terms energy: -147.973540
where:
bonds (distance) C4'-P energy: -24.700
bonds (distance) P-C4' energy: -25.890
flat angles C4'-P-C4' energy: -32.998
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -44.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -475.572216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.572216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.572216 (E_RNA)
where:
Base-Base interactions energy: -347.082
where: short stacking energy: -140.064
Base-Backbone interact. energy: -0.421
local terms energy: -138.069994
where:
bonds (distance) C4'-P energy: -21.727
bonds (distance) P-C4' energy: -25.596
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -20.395
tors. eta vs tors. theta energy: -43.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -446.511438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.511438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.511438 (E_RNA)
where:
Base-Base interactions energy: -309.843
where: short stacking energy: -129.012
Base-Backbone interact. energy: -0.575
local terms energy: -146.093665
where:
bonds (distance) C4'-P energy: -23.771
bonds (distance) P-C4' energy: -28.605
flat angles C4'-P-C4' energy: -28.488
flat angles P-C4'-P energy: -23.146
tors. eta vs tors. theta energy: -42.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -353.373809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.373809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.373809 (E_RNA)
where:
Base-Base interactions energy: -240.158
where: short stacking energy: -107.288
Base-Backbone interact. energy: -0.912
local terms energy: -122.304407
where:
bonds (distance) C4'-P energy: -24.326
bonds (distance) P-C4' energy: -22.870
flat angles C4'-P-C4' energy: -29.407
flat angles P-C4'-P energy: -14.094
tors. eta vs tors. theta energy: -31.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -288.002343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.002343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.002343 (E_RNA)
where:
Base-Base interactions energy: -189.234
where: short stacking energy: -82.573
Base-Backbone interact. energy: 0.272
local terms energy: -109.039883
where:
bonds (distance) C4'-P energy: -25.380
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -27.793
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -18.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -272.415294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.415294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.415294 (E_RNA)
where:
Base-Base interactions energy: -175.494
where: short stacking energy: -89.270
Base-Backbone interact. energy: -0.268
local terms energy: -106.653196
where:
bonds (distance) C4'-P energy: -21.257
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -25.074
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: -21.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -131.883598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.883598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.883598 (E_RNA)
where:
Base-Base interactions energy: -54.720
where: short stacking energy: -49.873
Base-Backbone interact. energy: 1.133
local terms energy: -88.296810
where:
bonds (distance) C4'-P energy: -23.042
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -13.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -177.944254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.944254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.944254 (E_RNA)
where:
Base-Base interactions energy: -97.758
where: short stacking energy: -39.825
Base-Backbone interact. energy: -2.020
local terms energy: -88.166504
where:
bonds (distance) C4'-P energy: -22.900
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -27.495
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -497.605047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.605047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.605047 (E_RNA)
where:
Base-Base interactions energy: -353.711
where: short stacking energy: -141.198
Base-Backbone interact. energy: -0.498
local terms energy: -153.396117
where:
bonds (distance) C4'-P energy: -27.686
bonds (distance) P-C4' energy: -28.240
flat angles C4'-P-C4' energy: -28.918
flat angles P-C4'-P energy: -22.498
tors. eta vs tors. theta energy: -46.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -486.166208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.166208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.166208 (E_RNA)
where:
Base-Base interactions energy: -344.957
where: short stacking energy: -146.449
Base-Backbone interact. energy: -0.018
local terms energy: -151.192112
where:
bonds (distance) C4'-P energy: -25.013
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -30.883
flat angles P-C4'-P energy: -25.145
tors. eta vs tors. theta energy: -42.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -478.224539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.224539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.224539 (E_RNA)
where:
Base-Base interactions energy: -335.735
where: short stacking energy: -140.241
Base-Backbone interact. energy: -0.207
local terms energy: -152.283157
where:
bonds (distance) C4'-P energy: -28.151
bonds (distance) P-C4' energy: -27.477
flat angles C4'-P-C4' energy: -29.267
flat angles P-C4'-P energy: -23.994
tors. eta vs tors. theta energy: -43.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -462.677064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.677064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.677064 (E_RNA)
where:
Base-Base interactions energy: -325.089
where: short stacking energy: -137.070
Base-Backbone interact. energy: -0.762
local terms energy: -146.826030
where:
bonds (distance) C4'-P energy: -22.554
bonds (distance) P-C4' energy: -30.015
flat angles C4'-P-C4' energy: -30.404
flat angles P-C4'-P energy: -21.584
tors. eta vs tors. theta energy: -42.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -463.873202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.873202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.873202 (E_RNA)
where:
Base-Base interactions energy: -333.752
where: short stacking energy: -136.539
Base-Backbone interact. energy: -0.120
local terms energy: -140.002012
where:
bonds (distance) C4'-P energy: -23.614
bonds (distance) P-C4' energy: -22.908
flat angles C4'-P-C4' energy: -32.196
flat angles P-C4'-P energy: -17.686
tors. eta vs tors. theta energy: -43.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -328.040679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.040679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.040679 (E_RNA)
where:
Base-Base interactions energy: -212.360
where: short stacking energy: -94.876
Base-Backbone interact. energy: -0.403
local terms energy: -125.277714
where:
bonds (distance) C4'-P energy: -25.544
bonds (distance) P-C4' energy: -24.427
flat angles C4'-P-C4' energy: -30.777
flat angles P-C4'-P energy: -18.650
tors. eta vs tors. theta energy: -25.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -343.326432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.326432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.326432 (E_RNA)
where:
Base-Base interactions energy: -239.873
where: short stacking energy: -110.663
Base-Backbone interact. energy: -0.220
local terms energy: -113.233692
where:
bonds (distance) C4'-P energy: -28.226
bonds (distance) P-C4' energy: -27.214
flat angles C4'-P-C4' energy: -20.444
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: -27.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -258.441562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.441562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.441562 (E_RNA)
where:
Base-Base interactions energy: -164.169
where: short stacking energy: -87.319
Base-Backbone interact. energy: 1.944
local terms energy: -106.216963
where:
bonds (distance) C4'-P energy: -27.235
bonds (distance) P-C4' energy: -25.057
flat angles C4'-P-C4' energy: -22.459
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -128.023798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.023798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.023798 (E_RNA)
where:
Base-Base interactions energy: -56.162
where: short stacking energy: -43.071
Base-Backbone interact. energy: -0.600
local terms energy: -81.261260
where:
bonds (distance) C4'-P energy: -23.098
bonds (distance) P-C4' energy: -30.086
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: 2.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -203.334206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.334206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.334206 (E_RNA)
where:
Base-Base interactions energy: -131.266
where: short stacking energy: -65.462
Base-Backbone interact. energy: 0.685
local terms energy: -82.753117
where:
bonds (distance) C4'-P energy: -21.899
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -23.647
flat angles P-C4'-P energy: -15.818
tors. eta vs tors. theta energy: -2.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -497.250220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.250220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.250220 (E_RNA)
where:
Base-Base interactions energy: -359.687
where: short stacking energy: -148.339
Base-Backbone interact. energy: -0.771
local terms energy: -146.792397
where:
bonds (distance) C4'-P energy: -31.389
bonds (distance) P-C4' energy: -30.754
flat angles C4'-P-C4' energy: -26.108
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -43.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -486.238529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.238529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.238529 (E_RNA)
where:
Base-Base interactions energy: -344.608
where: short stacking energy: -138.288
Base-Backbone interact. energy: -0.713
local terms energy: -150.917889
where:
bonds (distance) C4'-P energy: -29.085
bonds (distance) P-C4' energy: -27.332
flat angles C4'-P-C4' energy: -27.118
flat angles P-C4'-P energy: -24.835
tors. eta vs tors. theta energy: -42.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -484.286780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.286780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.286780 (E_RNA)
where:
Base-Base interactions energy: -344.717
where: short stacking energy: -141.365
Base-Backbone interact. energy: -0.102
local terms energy: -149.467822
where:
bonds (distance) C4'-P energy: -27.347
bonds (distance) P-C4' energy: -23.173
flat angles C4'-P-C4' energy: -32.280
flat angles P-C4'-P energy: -22.897
tors. eta vs tors. theta energy: -43.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -454.653350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.653350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.653350 (E_RNA)
where:
Base-Base interactions energy: -325.103
where: short stacking energy: -137.649
Base-Backbone interact. energy: 0.672
local terms energy: -140.222451
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -26.729
flat angles C4'-P-C4' energy: -31.246
flat angles P-C4'-P energy: -21.813
tors. eta vs tors. theta energy: -40.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -460.845872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.845872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.845872 (E_RNA)
where:
Base-Base interactions energy: -330.659
where: short stacking energy: -144.497
Base-Backbone interact. energy: -0.100
local terms energy: -140.087097
where:
bonds (distance) C4'-P energy: -27.020
bonds (distance) P-C4' energy: -23.385
flat angles C4'-P-C4' energy: -29.250
flat angles P-C4'-P energy: -19.377
tors. eta vs tors. theta energy: -41.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -358.191548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.191548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.191548 (E_RNA)
where:
Base-Base interactions energy: -246.096
where: short stacking energy: -110.632
Base-Backbone interact. energy: 2.034
local terms energy: -124.130231
where:
bonds (distance) C4'-P energy: -24.220
bonds (distance) P-C4' energy: -24.481
flat angles C4'-P-C4' energy: -27.590
flat angles P-C4'-P energy: -17.847
tors. eta vs tors. theta energy: -29.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -352.316954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.316954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.316954 (E_RNA)
where:
Base-Base interactions energy: -258.158
where: short stacking energy: -110.544
Base-Backbone interact. energy: -0.128
local terms energy: -104.030970
where:
bonds (distance) C4'-P energy: -26.556
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -20.837
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -29.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -239.202621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.202621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.202621 (E_RNA)
where:
Base-Base interactions energy: -157.121
where: short stacking energy: -75.338
Base-Backbone interact. energy: 1.185
local terms energy: -93.266199
where:
bonds (distance) C4'-P energy: -22.091
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -24.171
flat angles P-C4'-P energy: -6.298
tors. eta vs tors. theta energy: -20.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -190.146632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.146632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.146632 (E_RNA)
where:
Base-Base interactions energy: -112.423
where: short stacking energy: -51.916
Base-Backbone interact. energy: -1.416
local terms energy: -86.307686
where:
bonds (distance) C4'-P energy: -20.908
bonds (distance) P-C4' energy: -22.103
flat angles C4'-P-C4' energy: -22.849
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -6.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -111.393624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.393624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.393624 (E_RNA)
where:
Base-Base interactions energy: -50.094
where: short stacking energy: -25.307
Base-Backbone interact. energy: -1.333
local terms energy: -69.966381
where:
bonds (distance) C4'-P energy: -26.634
bonds (distance) P-C4' energy: -24.074
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -6.151
tors. eta vs tors. theta energy: -1.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -500.632479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.632479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.632479 (E_RNA)
where:
Base-Base interactions energy: -358.930
where: short stacking energy: -143.355
Base-Backbone interact. energy: -0.175
local terms energy: -151.527450
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -28.547
flat angles C4'-P-C4' energy: -31.809
flat angles P-C4'-P energy: -20.788
tors. eta vs tors. theta energy: -45.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -488.518999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.518999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.518999 (E_RNA)
where:
Base-Base interactions energy: -343.511
where: short stacking energy: -133.553
Base-Backbone interact. energy: -0.539
local terms energy: -154.468555
where:
bonds (distance) C4'-P energy: -27.735
bonds (distance) P-C4' energy: -29.794
flat angles C4'-P-C4' energy: -28.398
flat angles P-C4'-P energy: -24.920
tors. eta vs tors. theta energy: -43.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -481.194088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.194088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.194088 (E_RNA)
where:
Base-Base interactions energy: -346.612
where: short stacking energy: -146.807
Base-Backbone interact. energy: -0.100
local terms energy: -144.482035
where:
bonds (distance) C4'-P energy: -22.400
bonds (distance) P-C4' energy: -21.545
flat angles C4'-P-C4' energy: -31.109
flat angles P-C4'-P energy: -22.975
tors. eta vs tors. theta energy: -46.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -466.584527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.584527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.584527 (E_RNA)
where:
Base-Base interactions energy: -322.458
where: short stacking energy: -135.352
Base-Backbone interact. energy: -0.149
local terms energy: -153.977223
where:
bonds (distance) C4'-P energy: -30.273
bonds (distance) P-C4' energy: -30.368
flat angles C4'-P-C4' energy: -31.493
flat angles P-C4'-P energy: -20.595
tors. eta vs tors. theta energy: -41.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -449.599578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.599578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.599578 (E_RNA)
where:
Base-Base interactions energy: -322.846
where: short stacking energy: -138.446
Base-Backbone interact. energy: -0.898
local terms energy: -135.854998
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -24.347
flat angles C4'-P-C4' energy: -27.530
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -41.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -350.372136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.372136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.372136 (E_RNA)
where:
Base-Base interactions energy: -242.509
where: short stacking energy: -108.162
Base-Backbone interact. energy: 0.448
local terms energy: -118.311278
where:
bonds (distance) C4'-P energy: -22.469
bonds (distance) P-C4' energy: -25.806
flat angles C4'-P-C4' energy: -23.341
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -28.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -348.253533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.253533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.253533 (E_RNA)
where:
Base-Base interactions energy: -243.065
where: short stacking energy: -111.999
Base-Backbone interact. energy: -0.106
local terms energy: -115.082647
where:
bonds (distance) C4'-P energy: -21.575
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -30.110
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -31.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -231.679189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.679189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.679189 (E_RNA)
where:
Base-Base interactions energy: -147.092
where: short stacking energy: -71.098
Base-Backbone interact. energy: -0.651
local terms energy: -93.935388
where:
bonds (distance) C4'-P energy: -28.390
bonds (distance) P-C4' energy: -25.697
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -4.739
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -123.874894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.874894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.874894 (E_RNA)
where:
Base-Base interactions energy: -51.229
where: short stacking energy: -41.200
Base-Backbone interact. energy: -0.617
local terms energy: -82.028503
where:
bonds (distance) C4'-P energy: -25.321
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -22.729
flat angles P-C4'-P energy: -12.292
tors. eta vs tors. theta energy: -1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -127.268597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.268597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.268597 (E_RNA)
where:
Base-Base interactions energy: -51.226
where: short stacking energy: -48.133
Base-Backbone interact. energy: -0.350
local terms energy: -85.692181
where:
bonds (distance) C4'-P energy: -23.611
bonds (distance) P-C4' energy: -24.668
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -494.931929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.931929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.931929 (E_RNA)
where:
Base-Base interactions energy: -352.046
where: short stacking energy: -142.871
Base-Backbone interact. energy: -0.337
local terms energy: -152.549405
where:
bonds (distance) C4'-P energy: -30.361
bonds (distance) P-C4' energy: -27.724
flat angles C4'-P-C4' energy: -31.747
flat angles P-C4'-P energy: -17.881
tors. eta vs tors. theta energy: -44.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -494.273513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.273513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.273513 (E_RNA)
where:
Base-Base interactions energy: -344.796
where: short stacking energy: -154.936
Base-Backbone interact. energy: -0.003
local terms energy: -159.474735
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -27.246
flat angles C4'-P-C4' energy: -30.482
flat angles P-C4'-P energy: -25.822
tors. eta vs tors. theta energy: -47.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -483.934956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.934956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.934956 (E_RNA)
where:
Base-Base interactions energy: -346.945
where: short stacking energy: -148.440
Base-Backbone interact. energy: -1.187
local terms energy: -145.802481
where:
bonds (distance) C4'-P energy: -29.812
bonds (distance) P-C4' energy: -22.915
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -41.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -472.192247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.192247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.192247 (E_RNA)
where:
Base-Base interactions energy: -330.921
where: short stacking energy: -143.941
Base-Backbone interact. energy: -0.657
local terms energy: -150.613469
where:
bonds (distance) C4'-P energy: -25.190
bonds (distance) P-C4' energy: -28.077
flat angles C4'-P-C4' energy: -31.606
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -47.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -450.556400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.556400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.556400 (E_RNA)
where:
Base-Base interactions energy: -319.809
where: short stacking energy: -140.708
Base-Backbone interact. energy: 0.798
local terms energy: -141.545391
where:
bonds (distance) C4'-P energy: -27.222
bonds (distance) P-C4' energy: -24.084
flat angles C4'-P-C4' energy: -29.655
flat angles P-C4'-P energy: -20.728
tors. eta vs tors. theta energy: -39.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -364.171640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.171640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.171640 (E_RNA)
where:
Base-Base interactions energy: -256.359
where: short stacking energy: -120.258
Base-Backbone interact. energy: -0.368
local terms energy: -117.444491
where:
bonds (distance) C4'-P energy: -21.941
bonds (distance) P-C4' energy: -22.418
flat angles C4'-P-C4' energy: -26.689
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -28.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -330.810654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.810654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.810654 (E_RNA)
where:
Base-Base interactions energy: -230.660
where: short stacking energy: -110.058
Base-Backbone interact. energy: -0.100
local terms energy: -110.051174
where:
bonds (distance) C4'-P energy: -22.358
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -28.471
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -26.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -217.652316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.652316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.652316 (E_RNA)
where:
Base-Base interactions energy: -123.634
where: short stacking energy: -66.121
Base-Backbone interact. energy: -0.506
local terms energy: -103.512741
where:
bonds (distance) C4'-P energy: -17.416
bonds (distance) P-C4' energy: -29.843
flat angles C4'-P-C4' energy: -27.518
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -13.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -119.859242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.859242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.859242 (E_RNA)
where:
Base-Base interactions energy: -47.317
where: short stacking energy: -47.498
Base-Backbone interact. energy: 1.066
local terms energy: -83.608263
where:
bonds (distance) C4'-P energy: -25.752
bonds (distance) P-C4' energy: -29.094
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -17.134
tors. eta vs tors. theta energy: 1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -115.772525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.772525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.772525 (E_RNA)
where:
Base-Base interactions energy: -41.595
where: short stacking energy: -37.453
Base-Backbone interact. energy: -0.729
local terms energy: -83.448057
where:
bonds (distance) C4'-P energy: -22.308
bonds (distance) P-C4' energy: -30.403
flat angles C4'-P-C4' energy: -17.528
flat angles P-C4'-P energy: -13.500
tors. eta vs tors. theta energy: 0.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -497.078180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.078180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.078180 (E_RNA)
where:
Base-Base interactions energy: -358.381
where: short stacking energy: -149.263
Base-Backbone interact. energy: -0.415
local terms energy: -148.282489
where:
bonds (distance) C4'-P energy: -27.260
bonds (distance) P-C4' energy: -26.570
flat angles C4'-P-C4' energy: -34.956
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -44.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -492.711904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.711904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.711904 (E_RNA)
where:
Base-Base interactions energy: -347.733
where: short stacking energy: -148.121
Base-Backbone interact. energy: -0.048
local terms energy: -154.931007
where:
bonds (distance) C4'-P energy: -29.185
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -30.536
flat angles P-C4'-P energy: -22.551
tors. eta vs tors. theta energy: -48.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -499.082458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.082458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.082458 (E_RNA)
where:
Base-Base interactions energy: -364.597
where: short stacking energy: -147.827
Base-Backbone interact. energy: -0.304
local terms energy: -144.181845
where:
bonds (distance) C4'-P energy: -23.585
bonds (distance) P-C4' energy: -28.653
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -47.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -466.380241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.380241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.380241 (E_RNA)
where:
Base-Base interactions energy: -339.444
where: short stacking energy: -138.738
Base-Backbone interact. energy: -0.073
local terms energy: -136.863082
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -25.308
flat angles C4'-P-C4' energy: -27.689
flat angles P-C4'-P energy: -22.076
tors. eta vs tors. theta energy: -41.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -461.397785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.397785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.397785 (E_RNA)
where:
Base-Base interactions energy: -331.383
where: short stacking energy: -140.056
Base-Backbone interact. energy: -0.581
local terms energy: -139.433718
where:
bonds (distance) C4'-P energy: -22.758
bonds (distance) P-C4' energy: -26.290
flat angles C4'-P-C4' energy: -28.430
flat angles P-C4'-P energy: -20.061
tors. eta vs tors. theta energy: -41.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -339.447026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.447026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.447026 (E_RNA)
where:
Base-Base interactions energy: -225.803
where: short stacking energy: -106.203
Base-Backbone interact. energy: -0.374
local terms energy: -123.269898
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -27.666
flat angles C4'-P-C4' energy: -28.613
flat angles P-C4'-P energy: -20.611
tors. eta vs tors. theta energy: -30.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -346.962870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.962870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.962870 (E_RNA)
where:
Base-Base interactions energy: -232.264
where: short stacking energy: -108.351
Base-Backbone interact. energy: 3.572
local terms energy: -128.270945
where:
bonds (distance) C4'-P energy: -25.541
bonds (distance) P-C4' energy: -26.459
flat angles C4'-P-C4' energy: -25.659
flat angles P-C4'-P energy: -22.690
tors. eta vs tors. theta energy: -27.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -230.908596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.908596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.908596 (E_RNA)
where:
Base-Base interactions energy: -143.026
where: short stacking energy: -60.501
Base-Backbone interact. energy: 0.475
local terms energy: -98.357461
where:
bonds (distance) C4'-P energy: -22.446
bonds (distance) P-C4' energy: -26.036
flat angles C4'-P-C4' energy: -26.211
flat angles P-C4'-P energy: -18.281
tors. eta vs tors. theta energy: -5.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -118.337473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.337473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.337473 (E_RNA)
where:
Base-Base interactions energy: -35.749
where: short stacking energy: -35.749
Base-Backbone interact. energy: -0.182
local terms energy: -92.406609
where:
bonds (distance) C4'-P energy: -26.468
bonds (distance) P-C4' energy: -23.084
flat angles C4'-P-C4' energy: -28.293
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: 0.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -130.931421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.931421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.931421 (E_RNA)
where:
Base-Base interactions energy: -61.876
where: short stacking energy: -59.775
Base-Backbone interact. energy: -1.188
local terms energy: -77.867275
where:
bonds (distance) C4'-P energy: -18.913
bonds (distance) P-C4' energy: -23.364
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -8.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -502.704534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.704534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.704534 (E_RNA)
where:
Base-Base interactions energy: -360.821
where: short stacking energy: -145.993
Base-Backbone interact. energy: -0.067
local terms energy: -151.817110
where:
bonds (distance) C4'-P energy: -24.971
bonds (distance) P-C4' energy: -29.750
flat angles C4'-P-C4' energy: -31.665
flat angles P-C4'-P energy: -20.834
tors. eta vs tors. theta energy: -44.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -500.023265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.023265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.023265 (E_RNA)
where:
Base-Base interactions energy: -350.480
where: short stacking energy: -147.112
Base-Backbone interact. energy: -0.620
local terms energy: -158.923579
where:
bonds (distance) C4'-P energy: -29.533
bonds (distance) P-C4' energy: -29.993
flat angles C4'-P-C4' energy: -27.172
flat angles P-C4'-P energy: -25.816
tors. eta vs tors. theta energy: -46.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -467.642224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.642224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.642224 (E_RNA)
where:
Base-Base interactions energy: -334.710
where: short stacking energy: -139.571
Base-Backbone interact. energy: -0.890
local terms energy: -142.041850
where:
bonds (distance) C4'-P energy: -25.146
bonds (distance) P-C4' energy: -23.178
flat angles C4'-P-C4' energy: -32.016
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -42.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -480.038835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.038835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.038835 (E_RNA)
where:
Base-Base interactions energy: -344.328
where: short stacking energy: -147.084
Base-Backbone interact. energy: -0.015
local terms energy: -145.695393
where:
bonds (distance) C4'-P energy: -25.170
bonds (distance) P-C4' energy: -23.664
flat angles C4'-P-C4' energy: -30.894
flat angles P-C4'-P energy: -19.460
tors. eta vs tors. theta energy: -46.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -462.411288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.411288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.411288 (E_RNA)
where:
Base-Base interactions energy: -334.926
where: short stacking energy: -139.123
Base-Backbone interact. energy: -1.368
local terms energy: -136.117663
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -23.954
flat angles C4'-P-C4' energy: -31.284
flat angles P-C4'-P energy: -18.026
tors. eta vs tors. theta energy: -44.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -351.097084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.097084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.097084 (E_RNA)
where:
Base-Base interactions energy: -239.650
where: short stacking energy: -118.436
Base-Backbone interact. energy: -0.137
local terms energy: -121.309788
where:
bonds (distance) C4'-P energy: -25.323
bonds (distance) P-C4' energy: -27.812
flat angles C4'-P-C4' energy: -22.737
flat angles P-C4'-P energy: -15.278
tors. eta vs tors. theta energy: -30.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -337.029794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.029794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.029794 (E_RNA)
where:
Base-Base interactions energy: -242.571
where: short stacking energy: -111.474
Base-Backbone interact. energy: -0.745
local terms energy: -103.714223
where:
bonds (distance) C4'-P energy: -21.839
bonds (distance) P-C4' energy: -21.256
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -31.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -235.238763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.238763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.238763 (E_RNA)
where:
Base-Base interactions energy: -141.403
where: short stacking energy: -61.854
Base-Backbone interact. energy: -0.056
local terms energy: -103.779298
where:
bonds (distance) C4'-P energy: -22.258
bonds (distance) P-C4' energy: -23.395
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -15.726
tors. eta vs tors. theta energy: -21.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -146.153670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.153670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.153670 (E_RNA)
where:
Base-Base interactions energy: -76.688
where: short stacking energy: -47.685
Base-Backbone interact. energy: -0.451
local terms energy: -79.013873
where:
bonds (distance) C4'-P energy: -21.161
bonds (distance) P-C4' energy: -21.616
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -118.492900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.492900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.492900 (E_RNA)
where:
Base-Base interactions energy: -45.630
where: short stacking energy: -45.043
Base-Backbone interact. energy: -0.365
local terms energy: -82.497610
where:
bonds (distance) C4'-P energy: -25.999
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -11.521
tors. eta vs tors. theta energy: -4.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -497.609448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.609448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.609448 (E_RNA)
where:
Base-Base interactions energy: -360.813
where: short stacking energy: -154.142
Base-Backbone interact. energy: -0.001
local terms energy: -146.794784
where:
bonds (distance) C4'-P energy: -24.862
bonds (distance) P-C4' energy: -28.371
flat angles C4'-P-C4' energy: -25.274
flat angles P-C4'-P energy: -23.298
tors. eta vs tors. theta energy: -44.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -465.376585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.376585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.376585 (E_RNA)
where:
Base-Base interactions energy: -336.504
where: short stacking energy: -144.200
Base-Backbone interact. energy: -0.446
local terms energy: -138.426344
where:
bonds (distance) C4'-P energy: -23.382
bonds (distance) P-C4' energy: -26.179
flat angles C4'-P-C4' energy: -28.776
flat angles P-C4'-P energy: -20.087
tors. eta vs tors. theta energy: -40.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -484.807378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.807378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.807378 (E_RNA)
where:
Base-Base interactions energy: -340.773
where: short stacking energy: -139.712
Base-Backbone interact. energy: -1.160
local terms energy: -152.874732
where:
bonds (distance) C4'-P energy: -28.002
bonds (distance) P-C4' energy: -26.153
flat angles C4'-P-C4' energy: -31.530
flat angles P-C4'-P energy: -23.882
tors. eta vs tors. theta energy: -43.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -478.019841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.019841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.019841 (E_RNA)
where:
Base-Base interactions energy: -340.695
where: short stacking energy: -143.616
Base-Backbone interact. energy: -0.098
local terms energy: -147.226095
where:
bonds (distance) C4'-P energy: -29.138
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -25.584
flat angles P-C4'-P energy: -25.861
tors. eta vs tors. theta energy: -45.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -451.632014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.632014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.632014 (E_RNA)
where:
Base-Base interactions energy: -328.350
where: short stacking energy: -133.648
Base-Backbone interact. energy: -0.368
local terms energy: -132.914740
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -25.409
flat angles C4'-P-C4' energy: -30.157
flat angles P-C4'-P energy: -22.973
tors. eta vs tors. theta energy: -36.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -366.370844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.370844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.370844 (E_RNA)
where:
Base-Base interactions energy: -259.924
where: short stacking energy: -116.888
Base-Backbone interact. energy: -0.075
local terms energy: -116.371669
where:
bonds (distance) C4'-P energy: -12.705
bonds (distance) P-C4' energy: -25.170
flat angles C4'-P-C4' energy: -27.715
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -35.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -343.939070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.939070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.939070 (E_RNA)
where:
Base-Base interactions energy: -234.674
where: short stacking energy: -115.333
Base-Backbone interact. energy: -0.096
local terms energy: -119.168506
where:
bonds (distance) C4'-P energy: -21.492
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -25.005
flat angles P-C4'-P energy: -13.887
tors. eta vs tors. theta energy: -32.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -214.052683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.052683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.052683 (E_RNA)
where:
Base-Base interactions energy: -131.568
where: short stacking energy: -64.345
Base-Backbone interact. energy: -0.645
local terms energy: -91.839860
where:
bonds (distance) C4'-P energy: -23.685
bonds (distance) P-C4' energy: -31.256
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -9.876
tors. eta vs tors. theta energy: -12.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -140.031460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.031460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.031460 (E_RNA)
where:
Base-Base interactions energy: -65.604
where: short stacking energy: -31.464
Base-Backbone interact. energy: -0.399
local terms energy: -84.028454
where:
bonds (distance) C4'-P energy: -25.135
bonds (distance) P-C4' energy: -27.666
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -128.405365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.405365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.405365 (E_RNA)
where:
Base-Base interactions energy: -44.626
where: short stacking energy: -38.582
Base-Backbone interact. energy: -0.358
local terms energy: -93.420783
where:
bonds (distance) C4'-P energy: -25.178
bonds (distance) P-C4' energy: -30.852
flat angles C4'-P-C4' energy: -22.084
flat angles P-C4'-P energy: -12.954
tors. eta vs tors. theta energy: -2.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -475.561700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.561700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.561700 (E_RNA)
where:
Base-Base interactions energy: -338.546
where: short stacking energy: -148.457
Base-Backbone interact. energy: -0.391
local terms energy: -146.624666
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -27.193
flat angles C4'-P-C4' energy: -28.665
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -44.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -482.631071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.631071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.631071 (E_RNA)
where:
Base-Base interactions energy: -348.884
where: short stacking energy: -149.420
Base-Backbone interact. energy: -0.216
local terms energy: -143.531518
where:
bonds (distance) C4'-P energy: -29.210
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -30.846
flat angles P-C4'-P energy: -19.963
tors. eta vs tors. theta energy: -42.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -474.013559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.013559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.013559 (E_RNA)
where:
Base-Base interactions energy: -342.117
where: short stacking energy: -146.371
Base-Backbone interact. energy: -0.428
local terms energy: -141.468349
where:
bonds (distance) C4'-P energy: -25.380
bonds (distance) P-C4' energy: -25.480
flat angles C4'-P-C4' energy: -30.263
flat angles P-C4'-P energy: -23.306
tors. eta vs tors. theta energy: -37.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -474.981910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.981910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.981910 (E_RNA)
where:
Base-Base interactions energy: -339.160
where: short stacking energy: -132.232
Base-Backbone interact. energy: -0.519
local terms energy: -145.302327
where:
bonds (distance) C4'-P energy: -30.283
bonds (distance) P-C4' energy: -25.803
flat angles C4'-P-C4' energy: -25.025
flat angles P-C4'-P energy: -20.731
tors. eta vs tors. theta energy: -43.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -464.574005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.574005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.574005 (E_RNA)
where:
Base-Base interactions energy: -331.288
where: short stacking energy: -135.692
Base-Backbone interact. energy: 0.712
local terms energy: -143.997558
where:
bonds (distance) C4'-P energy: -28.798
bonds (distance) P-C4' energy: -23.593
flat angles C4'-P-C4' energy: -26.814
flat angles P-C4'-P energy: -23.914
tors. eta vs tors. theta energy: -40.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -393.827672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.827672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.827672 (E_RNA)
where:
Base-Base interactions energy: -272.823
where: short stacking energy: -128.552
Base-Backbone interact. energy: -0.077
local terms energy: -130.928290
where:
bonds (distance) C4'-P energy: -24.984
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -23.432
flat angles P-C4'-P energy: -18.644
tors. eta vs tors. theta energy: -39.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -335.108800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.108800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.108800 (E_RNA)
where:
Base-Base interactions energy: -232.635
where: short stacking energy: -110.671
Base-Backbone interact. energy: -0.497
local terms energy: -111.976215
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -27.761
flat angles C4'-P-C4' energy: -24.014
flat angles P-C4'-P energy: -8.793
tors. eta vs tors. theta energy: -25.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -211.857119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.857119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.857119 (E_RNA)
where:
Base-Base interactions energy: -124.835
where: short stacking energy: -68.632
Base-Backbone interact. energy: -0.829
local terms energy: -96.193042
where:
bonds (distance) C4'-P energy: -13.230
bonds (distance) P-C4' energy: -24.415
flat angles C4'-P-C4' energy: -23.490
flat angles P-C4'-P energy: -21.346
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -137.410763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.410763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.410763 (E_RNA)
where:
Base-Base interactions energy: -53.763
where: short stacking energy: -53.763
Base-Backbone interact. energy: -0.203
local terms energy: -93.445330
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -26.632
flat angles C4'-P-C4' energy: -23.424
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -6.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -142.945307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.945307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.945307 (E_RNA)
where:
Base-Base interactions energy: -69.560
where: short stacking energy: -56.502
Base-Backbone interact. energy: -0.152
local terms energy: -83.233370
where:
bonds (distance) C4'-P energy: -26.485
bonds (distance) P-C4' energy: -24.905
flat angles C4'-P-C4' energy: -18.995
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -479.328741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.328741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.328741 (E_RNA)
where:
Base-Base interactions energy: -337.223
where: short stacking energy: -142.017
Base-Backbone interact. energy: -0.165
local terms energy: -151.941040
where:
bonds (distance) C4'-P energy: -34.020
bonds (distance) P-C4' energy: -29.783
flat angles C4'-P-C4' energy: -31.884
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -39.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -488.792776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.792776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.792776 (E_RNA)
where:
Base-Base interactions energy: -343.524
where: short stacking energy: -145.991
Base-Backbone interact. energy: -0.107
local terms energy: -155.162004
where:
bonds (distance) C4'-P energy: -22.420
bonds (distance) P-C4' energy: -31.816
flat angles C4'-P-C4' energy: -35.826
flat angles P-C4'-P energy: -21.496
tors. eta vs tors. theta energy: -43.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -496.604679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.604679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.604679 (E_RNA)
where:
Base-Base interactions energy: -350.078
where: short stacking energy: -145.649
Base-Backbone interact. energy: -0.187
local terms energy: -156.339318
where:
bonds (distance) C4'-P energy: -25.520
bonds (distance) P-C4' energy: -31.803
flat angles C4'-P-C4' energy: -29.445
flat angles P-C4'-P energy: -24.594
tors. eta vs tors. theta energy: -44.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -478.845854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.845854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.845854 (E_RNA)
where:
Base-Base interactions energy: -337.196
where: short stacking energy: -140.713
Base-Backbone interact. energy: -0.008
local terms energy: -151.641127
where:
bonds (distance) C4'-P energy: -23.841
bonds (distance) P-C4' energy: -27.374
flat angles C4'-P-C4' energy: -32.100
flat angles P-C4'-P energy: -23.959
tors. eta vs tors. theta energy: -44.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -461.318603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.318603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.318603 (E_RNA)
where:
Base-Base interactions energy: -341.197
where: short stacking energy: -138.528
Base-Backbone interact. energy: -0.230
local terms energy: -129.891680
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -25.314
flat angles C4'-P-C4' energy: -26.388
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -45.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -399.850603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.850603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.850603 (E_RNA)
where:
Base-Base interactions energy: -280.039
where: short stacking energy: -128.955
Base-Backbone interact. energy: 0.406
local terms energy: -130.217992
where:
bonds (distance) C4'-P energy: -24.859
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -28.048
flat angles P-C4'-P energy: -17.934
tors. eta vs tors. theta energy: -39.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -355.462387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.462387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.462387 (E_RNA)
where:
Base-Base interactions energy: -245.269
where: short stacking energy: -114.945
Base-Backbone interact. energy: 0.370
local terms energy: -120.563566
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -30.623
flat angles C4'-P-C4' energy: -29.908
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -26.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -209.862803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.862803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.862803 (E_RNA)
where:
Base-Base interactions energy: -118.387
where: short stacking energy: -67.910
Base-Backbone interact. energy: -0.208
local terms energy: -101.268140
where:
bonds (distance) C4'-P energy: -25.572
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -15.253
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -114.921238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.921238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.921238 (E_RNA)
where:
Base-Base interactions energy: -55.098
where: short stacking energy: -55.070
Base-Backbone interact. energy: -0.312
local terms energy: -69.511176
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -22.656
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -111.758104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.758104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.758104 (E_RNA)
where:
Base-Base interactions energy: -49.874
where: short stacking energy: -34.308
Base-Backbone interact. energy: -0.380
local terms energy: -71.504815
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -26.598
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -12.482
tors. eta vs tors. theta energy: 2.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -494.932153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.932153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.932153 (E_RNA)
where:
Base-Base interactions energy: -359.225
where: short stacking energy: -155.384
Base-Backbone interact. energy: -0.002
local terms energy: -145.704665
where:
bonds (distance) C4'-P energy: -22.996
bonds (distance) P-C4' energy: -23.636
flat angles C4'-P-C4' energy: -28.382
flat angles P-C4'-P energy: -23.595
tors. eta vs tors. theta energy: -47.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -479.955242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.955242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.955242 (E_RNA)
where:
Base-Base interactions energy: -341.818
where: short stacking energy: -139.183
Base-Backbone interact. energy: -0.022
local terms energy: -148.115249
where:
bonds (distance) C4'-P energy: -29.107
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -26.999
flat angles P-C4'-P energy: -21.686
tors. eta vs tors. theta energy: -46.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -492.049448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.049448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.049448 (E_RNA)
where:
Base-Base interactions energy: -355.842
where: short stacking energy: -141.914
Base-Backbone interact. energy: -0.904
local terms energy: -145.302850
where:
bonds (distance) C4'-P energy: -27.495
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -30.717
flat angles P-C4'-P energy: -18.697
tors. eta vs tors. theta energy: -43.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -469.257129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.257129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.257129 (E_RNA)
where:
Base-Base interactions energy: -334.840
where: short stacking energy: -142.715
Base-Backbone interact. energy: -0.090
local terms energy: -144.326913
where:
bonds (distance) C4'-P energy: -21.328
bonds (distance) P-C4' energy: -28.777
flat angles C4'-P-C4' energy: -28.955
flat angles P-C4'-P energy: -20.521
tors. eta vs tors. theta energy: -44.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -463.946167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.946167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.946167 (E_RNA)
where:
Base-Base interactions energy: -330.720
where: short stacking energy: -133.808
Base-Backbone interact. energy: -0.934
local terms energy: -142.292393
where:
bonds (distance) C4'-P energy: -31.062
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -31.088
flat angles P-C4'-P energy: -20.463
tors. eta vs tors. theta energy: -43.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -413.799744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.799744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.799744 (E_RNA)
where:
Base-Base interactions energy: -282.916
where: short stacking energy: -126.742
Base-Backbone interact. energy: -0.057
local terms energy: -140.827213
where:
bonds (distance) C4'-P energy: -24.877
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -29.777
flat angles P-C4'-P energy: -19.938
tors. eta vs tors. theta energy: -41.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -331.920453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.920453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.920453 (E_RNA)
where:
Base-Base interactions energy: -240.897
where: short stacking energy: -112.791
Base-Backbone interact. energy: -0.274
local terms energy: -100.748927
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -20.128
flat angles P-C4'-P energy: -17.444
tors. eta vs tors. theta energy: -25.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -227.603864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.603864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.603864 (E_RNA)
where:
Base-Base interactions energy: -135.893
where: short stacking energy: -70.759
Base-Backbone interact. energy: -0.318
local terms energy: -101.393091
where:
bonds (distance) C4'-P energy: -18.164
bonds (distance) P-C4' energy: -26.316
flat angles C4'-P-C4' energy: -25.135
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -18.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -122.028896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.028896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.028896 (E_RNA)
where:
Base-Base interactions energy: -54.335
where: short stacking energy: -34.376
Base-Backbone interact. energy: 0.033
local terms energy: -77.727090
where:
bonds (distance) C4'-P energy: -23.745
bonds (distance) P-C4' energy: -29.102
flat angles C4'-P-C4' energy: -19.237
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: 3.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -145.033685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.033685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.033685 (E_RNA)
where:
Base-Base interactions energy: -67.155
where: short stacking energy: -42.972
Base-Backbone interact. energy: 0.410
local terms energy: -88.289202
where:
bonds (distance) C4'-P energy: -25.513
bonds (distance) P-C4' energy: -26.878
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -5.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -487.819104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.819104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.819104 (E_RNA)
where:
Base-Base interactions energy: -345.153
where: short stacking energy: -142.749
Base-Backbone interact. energy: -0.001
local terms energy: -152.664986
where:
bonds (distance) C4'-P energy: -28.780
bonds (distance) P-C4' energy: -25.936
flat angles C4'-P-C4' energy: -31.548
flat angles P-C4'-P energy: -20.790
tors. eta vs tors. theta energy: -45.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -473.468388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.468388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.468388 (E_RNA)
where:
Base-Base interactions energy: -333.182
where: short stacking energy: -139.444
Base-Backbone interact. energy: -0.642
local terms energy: -149.643817
where:
bonds (distance) C4'-P energy: -28.280
bonds (distance) P-C4' energy: -27.654
flat angles C4'-P-C4' energy: -31.368
flat angles P-C4'-P energy: -21.057
tors. eta vs tors. theta energy: -41.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -474.858705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.858705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.858705 (E_RNA)
where:
Base-Base interactions energy: -346.280
where: short stacking energy: -137.392
Base-Backbone interact. energy: 1.199
local terms energy: -139.777047
where:
bonds (distance) C4'-P energy: -28.861
bonds (distance) P-C4' energy: -25.008
flat angles C4'-P-C4' energy: -28.637
flat angles P-C4'-P energy: -17.584
tors. eta vs tors. theta energy: -39.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -468.000293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.000293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.000293 (E_RNA)
where:
Base-Base interactions energy: -337.212
where: short stacking energy: -147.424
Base-Backbone interact. energy: -0.001
local terms energy: -140.786537
where:
bonds (distance) C4'-P energy: -27.737
bonds (distance) P-C4' energy: -22.499
flat angles C4'-P-C4' energy: -25.345
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -44.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -465.035816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.035816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.035816 (E_RNA)
where:
Base-Base interactions energy: -340.102
where: short stacking energy: -146.528
Base-Backbone interact. energy: 1.562
local terms energy: -136.495526
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -25.440
flat angles C4'-P-C4' energy: -34.237
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -44.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -447.365115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.365115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.365115 (E_RNA)
where:
Base-Base interactions energy: -315.915
where: short stacking energy: -129.698
Base-Backbone interact. energy: -0.045
local terms energy: -141.405071
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -25.324
flat angles C4'-P-C4' energy: -29.495
flat angles P-C4'-P energy: -23.675
tors. eta vs tors. theta energy: -41.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -253.524802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.524802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.524802 (E_RNA)
where:
Base-Base interactions energy: -169.077
where: short stacking energy: -82.297
Base-Backbone interact. energy: -0.403
local terms energy: -94.044619
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -27.779
flat angles C4'-P-C4' energy: -25.853
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -13.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -139.264654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.264654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.264654 (E_RNA)
where:
Base-Base interactions energy: -53.199
where: short stacking energy: -50.103
Base-Backbone interact. energy: -0.043
local terms energy: -96.022909
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -22.540
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -9.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -217.569649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.569649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.569649 (E_RNA)
where:
Base-Base interactions energy: -121.518
where: short stacking energy: -66.143
Base-Backbone interact. energy: -0.107
local terms energy: -105.944050
where:
bonds (distance) C4'-P energy: -32.679
bonds (distance) P-C4' energy: -22.018
flat angles C4'-P-C4' energy: -27.504
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -8.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -116.231436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.231436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.231436 (E_RNA)
where:
Base-Base interactions energy: -47.445
where: short stacking energy: -43.732
Base-Backbone interact. energy: -0.354
local terms energy: -78.432136
where:
bonds (distance) C4'-P energy: -20.941
bonds (distance) P-C4' energy: -24.932
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -13.579
tors. eta vs tors. theta energy: -1.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -494.591170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.591170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.591170 (E_RNA)
where:
Base-Base interactions energy: -350.887
where: short stacking energy: -143.475
Base-Backbone interact. energy: -0.122
local terms energy: -153.582261
where:
bonds (distance) C4'-P energy: -25.749
bonds (distance) P-C4' energy: -29.092
flat angles C4'-P-C4' energy: -30.884
flat angles P-C4'-P energy: -23.004
tors. eta vs tors. theta energy: -44.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -464.727747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.727747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.727747 (E_RNA)
where:
Base-Base interactions energy: -334.274
where: short stacking energy: -133.508
Base-Backbone interact. energy: -0.524
local terms energy: -139.929535
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -28.233
flat angles C4'-P-C4' energy: -32.186
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: -35.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -475.802061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.802061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.802061 (E_RNA)
where:
Base-Base interactions energy: -345.251
where: short stacking energy: -146.304
Base-Backbone interact. energy: -0.027
local terms energy: -140.523862
where:
bonds (distance) C4'-P energy: -19.278
bonds (distance) P-C4' energy: -26.362
flat angles C4'-P-C4' energy: -27.401
flat angles P-C4'-P energy: -21.424
tors. eta vs tors. theta energy: -46.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -464.650769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.650769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.650769 (E_RNA)
where:
Base-Base interactions energy: -332.927
where: short stacking energy: -131.902
Base-Backbone interact. energy: -0.223
local terms energy: -141.501190
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -29.502
flat angles C4'-P-C4' energy: -31.282
flat angles P-C4'-P energy: -20.866
tors. eta vs tors. theta energy: -40.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -461.808471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.808471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.808471 (E_RNA)
where:
Base-Base interactions energy: -334.991
where: short stacking energy: -142.330
Base-Backbone interact. energy: -1.269
local terms energy: -135.548955
where:
bonds (distance) C4'-P energy: -23.724
bonds (distance) P-C4' energy: -22.344
flat angles C4'-P-C4' energy: -27.761
flat angles P-C4'-P energy: -19.860
tors. eta vs tors. theta energy: -41.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -462.756787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.756787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.756787 (E_RNA)
where:
Base-Base interactions energy: -325.761
where: short stacking energy: -137.775
Base-Backbone interact. energy: -0.819
local terms energy: -146.176559
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -28.149
flat angles C4'-P-C4' energy: -33.835
flat angles P-C4'-P energy: -17.785
tors. eta vs tors. theta energy: -40.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -266.565824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.565824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.565824 (E_RNA)
where:
Base-Base interactions energy: -169.839
where: short stacking energy: -86.355
Base-Backbone interact. energy: -0.383
local terms energy: -106.343716
where:
bonds (distance) C4'-P energy: -20.636
bonds (distance) P-C4' energy: -28.412
flat angles C4'-P-C4' energy: -24.226
flat angles P-C4'-P energy: -15.936
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -149.760889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.760889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.760889 (E_RNA)
where:
Base-Base interactions energy: -74.902
where: short stacking energy: -45.391
Base-Backbone interact. energy: 0.245
local terms energy: -85.103575
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -24.726
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -11.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -207.572038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.572038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.572038 (E_RNA)
where:
Base-Base interactions energy: -118.218
where: short stacking energy: -72.218
Base-Backbone interact. energy: -0.138
local terms energy: -99.216249
where:
bonds (distance) C4'-P energy: -24.025
bonds (distance) P-C4' energy: -28.016
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -14.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -137.921122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.921122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.921122 (E_RNA)
where:
Base-Base interactions energy: -54.281
where: short stacking energy: -41.105
Base-Backbone interact. energy: 0.820
local terms energy: -94.460153
where:
bonds (distance) C4'-P energy: -23.410
bonds (distance) P-C4' energy: -28.953
flat angles C4'-P-C4' energy: -21.099
flat angles P-C4'-P energy: -15.025
tors. eta vs tors. theta energy: -5.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -500.642017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.642017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.642017 (E_RNA)
where:
Base-Base interactions energy: -352.882
where: short stacking energy: -149.260
Base-Backbone interact. energy: -0.079
local terms energy: -157.680707
where:
bonds (distance) C4'-P energy: -28.345
bonds (distance) P-C4' energy: -27.197
flat angles C4'-P-C4' energy: -32.453
flat angles P-C4'-P energy: -22.925
tors. eta vs tors. theta energy: -46.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -493.213379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.213379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.213379 (E_RNA)
where:
Base-Base interactions energy: -345.173
where: short stacking energy: -144.765
Base-Backbone interact. energy: -0.413
local terms energy: -157.628072
where:
bonds (distance) C4'-P energy: -30.298
bonds (distance) P-C4' energy: -29.644
flat angles C4'-P-C4' energy: -31.601
flat angles P-C4'-P energy: -21.451
tors. eta vs tors. theta energy: -44.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -471.447843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.447843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.447843 (E_RNA)
where:
Base-Base interactions energy: -338.418
where: short stacking energy: -137.418
Base-Backbone interact. energy: -1.024
local terms energy: -142.006249
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -22.228
flat angles C4'-P-C4' energy: -29.801
flat angles P-C4'-P energy: -20.522
tors. eta vs tors. theta energy: -40.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -470.412638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.412638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.412638 (E_RNA)
where:
Base-Base interactions energy: -341.934
where: short stacking energy: -141.774
Base-Backbone interact. energy: 0.929
local terms energy: -139.407120
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -26.794
flat angles C4'-P-C4' energy: -31.222
flat angles P-C4'-P energy: -20.173
tors. eta vs tors. theta energy: -47.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -466.094263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.094263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.094263 (E_RNA)
where:
Base-Base interactions energy: -338.387
where: short stacking energy: -135.713
Base-Backbone interact. energy: -0.152
local terms energy: -137.555198
where:
bonds (distance) C4'-P energy: -20.315
bonds (distance) P-C4' energy: -29.021
flat angles C4'-P-C4' energy: -26.643
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: -40.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -447.712541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.712541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.712541 (E_RNA)
where:
Base-Base interactions energy: -323.445
where: short stacking energy: -137.881
Base-Backbone interact. energy: -0.088
local terms energy: -134.179691
where:
bonds (distance) C4'-P energy: -21.684
bonds (distance) P-C4' energy: -22.538
flat angles C4'-P-C4' energy: -27.285
flat angles P-C4'-P energy: -23.023
tors. eta vs tors. theta energy: -39.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -238.964878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.964878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.964878 (E_RNA)
where:
Base-Base interactions energy: -135.683
where: short stacking energy: -79.732
Base-Backbone interact. energy: -0.042
local terms energy: -113.240099
where:
bonds (distance) C4'-P energy: -24.287
bonds (distance) P-C4' energy: -27.052
flat angles C4'-P-C4' energy: -22.088
flat angles P-C4'-P energy: -17.925
tors. eta vs tors. theta energy: -21.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -226.565211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.565211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.565211 (E_RNA)
where:
Base-Base interactions energy: -141.713
where: short stacking energy: -81.841
Base-Backbone interact. energy: -1.263
local terms energy: -93.589814
where:
bonds (distance) C4'-P energy: -23.060
bonds (distance) P-C4' energy: -26.502
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -18.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -161.564845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.564845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.564845 (E_RNA)
where:
Base-Base interactions energy: -94.961
where: short stacking energy: -61.661
Base-Backbone interact. energy: 2.358
local terms energy: -78.961800
where:
bonds (distance) C4'-P energy: -23.306
bonds (distance) P-C4' energy: -21.424
flat angles C4'-P-C4' energy: -21.444
flat angles P-C4'-P energy: -4.823
tors. eta vs tors. theta energy: -7.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -109.452617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.452617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.452617 (E_RNA)
where:
Base-Base interactions energy: -39.141
where: short stacking energy: -39.634
Base-Backbone interact. energy: -0.557
local terms energy: -79.753834
where:
bonds (distance) C4'-P energy: -19.309
bonds (distance) P-C4' energy: -21.415
flat angles C4'-P-C4' energy: -23.506
flat angles P-C4'-P energy: -16.891
tors. eta vs tors. theta energy: 1.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -498.555016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.555016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.555016 (E_RNA)
where:
Base-Base interactions energy: -357.430
where: short stacking energy: -150.936
Base-Backbone interact. energy: -0.009
local terms energy: -151.115930
where:
bonds (distance) C4'-P energy: -26.490
bonds (distance) P-C4' energy: -28.032
flat angles C4'-P-C4' energy: -29.647
flat angles P-C4'-P energy: -22.377
tors. eta vs tors. theta energy: -44.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -489.745429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.745429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.745429 (E_RNA)
where:
Base-Base interactions energy: -344.160
where: short stacking energy: -143.770
Base-Backbone interact. energy: -1.083
local terms energy: -154.501702
where:
bonds (distance) C4'-P energy: -28.832
bonds (distance) P-C4' energy: -27.892
flat angles C4'-P-C4' energy: -31.285
flat angles P-C4'-P energy: -22.799
tors. eta vs tors. theta energy: -43.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -470.367703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.367703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.367703 (E_RNA)
where:
Base-Base interactions energy: -332.764
where: short stacking energy: -139.934
Base-Backbone interact. energy: -0.191
local terms energy: -147.413241
where:
bonds (distance) C4'-P energy: -28.064
bonds (distance) P-C4' energy: -28.112
flat angles C4'-P-C4' energy: -27.298
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -42.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -473.704006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.704006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.704006 (E_RNA)
where:
Base-Base interactions energy: -346.054
where: short stacking energy: -143.549
Base-Backbone interact. energy: -1.026
local terms energy: -136.623816
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -21.216
flat angles C4'-P-C4' energy: -29.762
flat angles P-C4'-P energy: -19.110
tors. eta vs tors. theta energy: -44.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -465.090993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.090993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.090993 (E_RNA)
where:
Base-Base interactions energy: -329.305
where: short stacking energy: -134.607
Base-Backbone interact. energy: -0.090
local terms energy: -145.696736
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -30.214
flat angles C4'-P-C4' energy: -26.692
flat angles P-C4'-P energy: -22.864
tors. eta vs tors. theta energy: -43.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -453.533307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.533307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.533307 (E_RNA)
where:
Base-Base interactions energy: -322.400
where: short stacking energy: -137.372
Base-Backbone interact. energy: -0.100
local terms energy: -141.032823
where:
bonds (distance) C4'-P energy: -22.326
bonds (distance) P-C4' energy: -24.153
flat angles C4'-P-C4' energy: -31.244
flat angles P-C4'-P energy: -22.520
tors. eta vs tors. theta energy: -40.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -258.800346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.800346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.800346 (E_RNA)
where:
Base-Base interactions energy: -157.408
where: short stacking energy: -82.367
Base-Backbone interact. energy: -0.499
local terms energy: -110.893803
where:
bonds (distance) C4'-P energy: -22.933
bonds (distance) P-C4' energy: -25.118
flat angles C4'-P-C4' energy: -25.459
flat angles P-C4'-P energy: -16.271
tors. eta vs tors. theta energy: -21.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -222.847816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.847816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.847816 (E_RNA)
where:
Base-Base interactions energy: -125.609
where: short stacking energy: -76.781
Base-Backbone interact. energy: -1.223
local terms energy: -106.015262
where:
bonds (distance) C4'-P energy: -21.558
bonds (distance) P-C4' energy: -22.813
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -21.832
tors. eta vs tors. theta energy: -19.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -127.678609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.678609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.678609 (E_RNA)
where:
Base-Base interactions energy: -61.218
where: short stacking energy: -46.192
Base-Backbone interact. energy: -1.192
local terms energy: -75.269354
where:
bonds (distance) C4'-P energy: -24.265
bonds (distance) P-C4' energy: -19.589
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -19.028
tors. eta vs tors. theta energy: 4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -125.288313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.288313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.288313 (E_RNA)
where:
Base-Base interactions energy: -61.974
where: short stacking energy: -48.722
Base-Backbone interact. energy: -0.810
local terms energy: -72.504109
where:
bonds (distance) C4'-P energy: -21.828
bonds (distance) P-C4' energy: -23.695
flat angles C4'-P-C4' energy: -18.871
flat angles P-C4'-P energy: -6.858
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -495.355220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.355220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.355220 (E_RNA)
where:
Base-Base interactions energy: -353.136
where: short stacking energy: -152.351
Base-Backbone interact. energy: -0.004
local terms energy: -152.215052
where:
bonds (distance) C4'-P energy: -25.477
bonds (distance) P-C4' energy: -26.816
flat angles C4'-P-C4' energy: -29.384
flat angles P-C4'-P energy: -24.009
tors. eta vs tors. theta energy: -46.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -496.083874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.083874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.083874 (E_RNA)
where:
Base-Base interactions energy: -353.687
where: short stacking energy: -145.885
Base-Backbone interact. energy: -0.358
local terms energy: -152.039699
where:
bonds (distance) C4'-P energy: -23.386
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -28.938
flat angles P-C4'-P energy: -25.136
tors. eta vs tors. theta energy: -43.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -463.620290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.620290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.620290 (E_RNA)
where:
Base-Base interactions energy: -335.202
where: short stacking energy: -139.580
Base-Backbone interact. energy: -0.075
local terms energy: -138.342814
where:
bonds (distance) C4'-P energy: -28.245
bonds (distance) P-C4' energy: -21.057
flat angles C4'-P-C4' energy: -27.816
flat angles P-C4'-P energy: -18.627
tors. eta vs tors. theta energy: -42.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -485.072078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.072078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.072078 (E_RNA)
where:
Base-Base interactions energy: -354.058
where: short stacking energy: -147.201
Base-Backbone interact. energy: -0.047
local terms energy: -140.967164
where:
bonds (distance) C4'-P energy: -25.071
bonds (distance) P-C4' energy: -29.307
flat angles C4'-P-C4' energy: -23.232
flat angles P-C4'-P energy: -20.767
tors. eta vs tors. theta energy: -42.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -465.324952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.324952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.324952 (E_RNA)
where:
Base-Base interactions energy: -329.793
where: short stacking energy: -134.240
Base-Backbone interact. energy: -0.176
local terms energy: -145.356423
where:
bonds (distance) C4'-P energy: -28.459
bonds (distance) P-C4' energy: -23.276
flat angles C4'-P-C4' energy: -29.491
flat angles P-C4'-P energy: -23.160
tors. eta vs tors. theta energy: -40.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -460.612054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.612054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.612054 (E_RNA)
where:
Base-Base interactions energy: -326.078
where: short stacking energy: -142.790
Base-Backbone interact. energy: -0.563
local terms energy: -143.971113
where:
bonds (distance) C4'-P energy: -22.192
bonds (distance) P-C4' energy: -26.738
flat angles C4'-P-C4' energy: -33.666
flat angles P-C4'-P energy: -19.068
tors. eta vs tors. theta energy: -42.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -240.563200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.563200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.563200 (E_RNA)
where:
Base-Base interactions energy: -157.717
where: short stacking energy: -69.593
Base-Backbone interact. energy: -0.681
local terms energy: -92.165440
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -21.596
flat angles C4'-P-C4' energy: -22.110
flat angles P-C4'-P energy: -16.296
tors. eta vs tors. theta energy: -15.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -198.325882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.325882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.325882 (E_RNA)
where:
Base-Base interactions energy: -111.576
where: short stacking energy: -61.496
Base-Backbone interact. energy: 0.744
local terms energy: -97.493878
where:
bonds (distance) C4'-P energy: -28.490
bonds (distance) P-C4' energy: -23.250
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -11.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -119.355226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.355226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.355226 (E_RNA)
where:
Base-Base interactions energy: -46.452
where: short stacking energy: -46.452
Base-Backbone interact. energy: -0.098
local terms energy: -82.804432
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -27.956
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -12.902
tors. eta vs tors. theta energy: -6.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -107.420985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.420985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.420985 (E_RNA)
where:
Base-Base interactions energy: -58.930
where: short stacking energy: -36.363
Base-Backbone interact. energy: -0.423
local terms energy: -58.068003
where:
bonds (distance) C4'-P energy: -7.504
bonds (distance) P-C4' energy: -24.664
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -2.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -500.073977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.073977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.073977 (E_RNA)
where:
Base-Base interactions energy: -355.103
where: short stacking energy: -152.029
Base-Backbone interact. energy: -0.368
local terms energy: -154.603017
where:
bonds (distance) C4'-P energy: -28.675
bonds (distance) P-C4' energy: -26.632
flat angles C4'-P-C4' energy: -31.225
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -46.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -497.443448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.443448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.443448 (E_RNA)
where:
Base-Base interactions energy: -353.558
where: short stacking energy: -142.903
Base-Backbone interact. energy: -0.198
local terms energy: -153.687371
where:
bonds (distance) C4'-P energy: -26.863
bonds (distance) P-C4' energy: -27.286
flat angles C4'-P-C4' energy: -33.004
flat angles P-C4'-P energy: -20.627
tors. eta vs tors. theta energy: -45.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -477.312582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.312582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.312582 (E_RNA)
where:
Base-Base interactions energy: -335.799
where: short stacking energy: -141.971
Base-Backbone interact. energy: -0.160
local terms energy: -151.353608
where:
bonds (distance) C4'-P energy: -30.932
bonds (distance) P-C4' energy: -30.548
flat angles C4'-P-C4' energy: -27.444
flat angles P-C4'-P energy: -18.479
tors. eta vs tors. theta energy: -43.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -461.525547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.525547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.525547 (E_RNA)
where:
Base-Base interactions energy: -322.772
where: short stacking energy: -133.510
Base-Backbone interact. energy: -0.690
local terms energy: -148.063885
where:
bonds (distance) C4'-P energy: -27.911
bonds (distance) P-C4' energy: -23.351
flat angles C4'-P-C4' energy: -28.055
flat angles P-C4'-P energy: -24.887
tors. eta vs tors. theta energy: -43.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -472.344846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.344846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.344846 (E_RNA)
where:
Base-Base interactions energy: -336.181
where: short stacking energy: -137.842
Base-Backbone interact. energy: -1.227
local terms energy: -144.936969
where:
bonds (distance) C4'-P energy: -25.969
bonds (distance) P-C4' energy: -23.773
flat angles C4'-P-C4' energy: -28.845
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -46.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -462.253667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.253667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.253667 (E_RNA)
where:
Base-Base interactions energy: -330.291
where: short stacking energy: -141.202
Base-Backbone interact. energy: -0.298
local terms energy: -141.664429
where:
bonds (distance) C4'-P energy: -26.068
bonds (distance) P-C4' energy: -22.369
flat angles C4'-P-C4' energy: -31.867
flat angles P-C4'-P energy: -18.183
tors. eta vs tors. theta energy: -43.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -183.391954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.391954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.391954 (E_RNA)
where:
Base-Base interactions energy: -103.745
where: short stacking energy: -51.749
Base-Backbone interact. energy: 0.173
local terms energy: -89.820500
where:
bonds (distance) C4'-P energy: -26.524
bonds (distance) P-C4' energy: -24.592
flat angles C4'-P-C4' energy: -22.305
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -3.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -249.923554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.923554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.923554 (E_RNA)
where:
Base-Base interactions energy: -156.760
where: short stacking energy: -70.390
Base-Backbone interact. energy: 1.260
local terms energy: -104.424138
where:
bonds (distance) C4'-P energy: -21.787
bonds (distance) P-C4' energy: -28.643
flat angles C4'-P-C4' energy: -22.604
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -20.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -123.727849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.727849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.727849 (E_RNA)
where:
Base-Base interactions energy: -44.945
where: short stacking energy: -45.745
Base-Backbone interact. energy: 0.131
local terms energy: -88.913882
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -26.666
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -7.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -122.779537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.779537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.779537 (E_RNA)
where:
Base-Base interactions energy: -70.507
where: short stacking energy: -32.421
Base-Backbone interact. energy: 0.020
local terms energy: -62.292154
where:
bonds (distance) C4'-P energy: -24.290
bonds (distance) P-C4' energy: -20.743
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -5.117
tors. eta vs tors. theta energy: 2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -497.194762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.194762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.194762 (E_RNA)
where:
Base-Base interactions energy: -346.976
where: short stacking energy: -143.534
Base-Backbone interact. energy: -0.081
local terms energy: -160.137899
where:
bonds (distance) C4'-P energy: -26.569
bonds (distance) P-C4' energy: -30.667
flat angles C4'-P-C4' energy: -33.766
flat angles P-C4'-P energy: -24.556
tors. eta vs tors. theta energy: -44.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -499.405510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.405510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.405510 (E_RNA)
where:
Base-Base interactions energy: -355.351
where: short stacking energy: -150.551
Base-Backbone interact. energy: 0.154
local terms energy: -154.208446
where:
bonds (distance) C4'-P energy: -28.601
bonds (distance) P-C4' energy: -25.733
flat angles C4'-P-C4' energy: -29.936
flat angles P-C4'-P energy: -22.924
tors. eta vs tors. theta energy: -47.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -473.044395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.044395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.044395 (E_RNA)
where:
Base-Base interactions energy: -343.494
where: short stacking energy: -144.807
Base-Backbone interact. energy: -0.340
local terms energy: -139.210051
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -26.541
flat angles C4'-P-C4' energy: -30.883
flat angles P-C4'-P energy: -21.097
tors. eta vs tors. theta energy: -42.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -466.742716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.742716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.742716 (E_RNA)
where:
Base-Base interactions energy: -334.218
where: short stacking energy: -139.864
Base-Backbone interact. energy: -1.059
local terms energy: -141.465728
where:
bonds (distance) C4'-P energy: -25.189
bonds (distance) P-C4' energy: -26.825
flat angles C4'-P-C4' energy: -28.080
flat angles P-C4'-P energy: -14.418
tors. eta vs tors. theta energy: -46.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -459.325205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.325205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.325205 (E_RNA)
where:
Base-Base interactions energy: -327.210
where: short stacking energy: -140.038
Base-Backbone interact. energy: -0.004
local terms energy: -142.111768
where:
bonds (distance) C4'-P energy: -25.302
bonds (distance) P-C4' energy: -28.214
flat angles C4'-P-C4' energy: -25.097
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -43.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -450.740095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.740095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.740095 (E_RNA)
where:
Base-Base interactions energy: -319.798
where: short stacking energy: -125.371
Base-Backbone interact. energy: -0.816
local terms energy: -140.125842
where:
bonds (distance) C4'-P energy: -24.826
bonds (distance) P-C4' energy: -25.379
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -39.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -197.030466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.030466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.030466 (E_RNA)
where:
Base-Base interactions energy: -116.647
where: short stacking energy: -52.444
Base-Backbone interact. energy: -0.311
local terms energy: -90.071857
where:
bonds (distance) C4'-P energy: -29.183
bonds (distance) P-C4' energy: -24.689
flat angles C4'-P-C4' energy: -21.610
flat angles P-C4'-P energy: -6.638
tors. eta vs tors. theta energy: -7.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -241.254944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.254944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.254944 (E_RNA)
where:
Base-Base interactions energy: -163.628
where: short stacking energy: -71.713
Base-Backbone interact. energy: -0.478
local terms energy: -87.148330
where:
bonds (distance) C4'-P energy: -29.769
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -134.883597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.883597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.883597 (E_RNA)
where:
Base-Base interactions energy: -58.553
where: short stacking energy: -43.181
Base-Backbone interact. energy: 0.020
local terms energy: -86.350383
where:
bonds (distance) C4'-P energy: -23.579
bonds (distance) P-C4' energy: -29.298
flat angles C4'-P-C4' energy: -22.101
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: 2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -125.802018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.802018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.802018 (E_RNA)
where:
Base-Base interactions energy: -57.560
where: short stacking energy: -29.546
Base-Backbone interact. energy: -0.423
local terms energy: -77.818986
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -23.674
flat angles C4'-P-C4' energy: -24.482
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: 1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -492.489589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.489589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.489589 (E_RNA)
where:
Base-Base interactions energy: -354.995
where: short stacking energy: -147.534
Base-Backbone interact. energy: -0.162
local terms energy: -147.332874
where:
bonds (distance) C4'-P energy: -26.186
bonds (distance) P-C4' energy: -23.591
flat angles C4'-P-C4' energy: -31.393
flat angles P-C4'-P energy: -23.154
tors. eta vs tors. theta energy: -43.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -482.218390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.218390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.218390 (E_RNA)
where:
Base-Base interactions energy: -342.727
where: short stacking energy: -148.221
Base-Backbone interact. energy: -0.094
local terms energy: -149.397863
where:
bonds (distance) C4'-P energy: -23.963
bonds (distance) P-C4' energy: -30.088
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -21.433
tors. eta vs tors. theta energy: -45.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -483.795021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.795021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.795021 (E_RNA)
where:
Base-Base interactions energy: -353.189
where: short stacking energy: -150.306
Base-Backbone interact. energy: -0.073
local terms energy: -140.533605
where:
bonds (distance) C4'-P energy: -25.782
bonds (distance) P-C4' energy: -24.304
flat angles C4'-P-C4' energy: -28.272
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: -44.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -464.560483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.560483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.560483 (E_RNA)
where:
Base-Base interactions energy: -341.330
where: short stacking energy: -141.167
Base-Backbone interact. energy: -0.412
local terms energy: -132.818483
where:
bonds (distance) C4'-P energy: -22.251
bonds (distance) P-C4' energy: -22.404
flat angles C4'-P-C4' energy: -32.138
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -37.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -460.344102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.344102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.344102 (E_RNA)
where:
Base-Base interactions energy: -327.692
where: short stacking energy: -136.631
Base-Backbone interact. energy: -0.140
local terms energy: -142.512263
where:
bonds (distance) C4'-P energy: -23.905
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -28.789
flat angles P-C4'-P energy: -20.775
tors. eta vs tors. theta energy: -45.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -440.330195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.330195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.330195 (E_RNA)
where:
Base-Base interactions energy: -311.028
where: short stacking energy: -140.903
Base-Backbone interact. energy: -0.048
local terms energy: -139.254323
where:
bonds (distance) C4'-P energy: -23.340
bonds (distance) P-C4' energy: -22.503
flat angles C4'-P-C4' energy: -31.939
flat angles P-C4'-P energy: -18.818
tors. eta vs tors. theta energy: -42.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -197.236756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.236756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.236756 (E_RNA)
where:
Base-Base interactions energy: -113.177
where: short stacking energy: -68.000
Base-Backbone interact. energy: -0.385
local terms energy: -93.675237
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -27.750
flat angles C4'-P-C4' energy: -24.331
flat angles P-C4'-P energy: -15.039
tors. eta vs tors. theta energy: -7.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -184.133562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.133562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.133562 (E_RNA)
where:
Base-Base interactions energy: -108.913
where: short stacking energy: -54.605
Base-Backbone interact. energy: -0.278
local terms energy: -84.941871
where:
bonds (distance) C4'-P energy: -22.513
bonds (distance) P-C4' energy: -22.783
flat angles C4'-P-C4' energy: -22.973
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -4.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -137.678705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.678705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.678705 (E_RNA)
where:
Base-Base interactions energy: -59.102
where: short stacking energy: -50.041
Base-Backbone interact. energy: -0.418
local terms energy: -88.159154
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -28.261
flat angles C4'-P-C4' energy: -24.087
flat angles P-C4'-P energy: -7.060
tors. eta vs tors. theta energy: -4.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -114.318520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.318520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.318520 (E_RNA)
where:
Base-Base interactions energy: -47.807
where: short stacking energy: -42.395
Base-Backbone interact. energy: 0.660
local terms energy: -77.172217
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -24.976
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -1.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -495.937432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.937432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.937432 (E_RNA)
where:
Base-Base interactions energy: -354.974
where: short stacking energy: -152.114
Base-Backbone interact. energy: -0.027
local terms energy: -150.936600
where:
bonds (distance) C4'-P energy: -24.445
bonds (distance) P-C4' energy: -29.196
flat angles C4'-P-C4' energy: -32.601
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -47.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -489.658013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.658013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.658013 (E_RNA)
where:
Base-Base interactions energy: -347.044
where: short stacking energy: -153.293
Base-Backbone interact. energy: -1.107
local terms energy: -151.507419
where:
bonds (distance) C4'-P energy: -25.280
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -28.670
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -46.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -481.496345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.496345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.496345 (E_RNA)
where:
Base-Base interactions energy: -337.366
where: short stacking energy: -138.343
Base-Backbone interact. energy: -0.015
local terms energy: -154.115103
where:
bonds (distance) C4'-P energy: -29.789
bonds (distance) P-C4' energy: -28.457
flat angles C4'-P-C4' energy: -31.051
flat angles P-C4'-P energy: -20.551
tors. eta vs tors. theta energy: -44.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -474.315371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.315371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.315371 (E_RNA)
where:
Base-Base interactions energy: -335.536
where: short stacking energy: -136.309
Base-Backbone interact. energy: -0.047
local terms energy: -148.733045
where:
bonds (distance) C4'-P energy: -28.891
bonds (distance) P-C4' energy: -26.820
flat angles C4'-P-C4' energy: -29.171
flat angles P-C4'-P energy: -20.294
tors. eta vs tors. theta energy: -43.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -439.363646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.363646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.363646 (E_RNA)
where:
Base-Base interactions energy: -308.622
where: short stacking energy: -131.605
Base-Backbone interact. energy: -0.575
local terms energy: -140.166873
where:
bonds (distance) C4'-P energy: -22.732
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -25.569
flat angles P-C4'-P energy: -21.280
tors. eta vs tors. theta energy: -42.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -463.827077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.827077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.827077 (E_RNA)
where:
Base-Base interactions energy: -334.410
where: short stacking energy: -140.347
Base-Backbone interact. energy: -0.023
local terms energy: -139.394581
where:
bonds (distance) C4'-P energy: -26.937
bonds (distance) P-C4' energy: -26.720
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -21.031
tors. eta vs tors. theta energy: -44.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -210.029280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.029280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.029280 (E_RNA)
where:
Base-Base interactions energy: -119.190
where: short stacking energy: -70.368
Base-Backbone interact. energy: -0.121
local terms energy: -100.717965
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -26.500
flat angles C4'-P-C4' energy: -24.599
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -15.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -214.566807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.566807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.566807 (E_RNA)
where:
Base-Base interactions energy: -131.906
where: short stacking energy: -57.002
Base-Backbone interact. energy: 0.537
local terms energy: -93.197787
where:
bonds (distance) C4'-P energy: -24.907
bonds (distance) P-C4' energy: -26.140
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -125.061061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.061061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.061061 (E_RNA)
where:
Base-Base interactions energy: -48.123
where: short stacking energy: -31.265
Base-Backbone interact. energy: -0.284
local terms energy: -86.654224
where:
bonds (distance) C4'-P energy: -29.402
bonds (distance) P-C4' energy: -25.576
flat angles C4'-P-C4' energy: -18.230
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -119.360845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.360845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.360845 (E_RNA)
where:
Base-Base interactions energy: -39.924
where: short stacking energy: -31.659
Base-Backbone interact. energy: 1.189
local terms energy: -90.625098
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -22.069
flat angles C4'-P-C4' energy: -27.459
flat angles P-C4'-P energy: -17.791
tors. eta vs tors. theta energy: -4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -499.147431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.147431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.147431 (E_RNA)
where:
Base-Base interactions energy: -354.533
where: short stacking energy: -151.268
Base-Backbone interact. energy: -0.546
local terms energy: -154.069240
where:
bonds (distance) C4'-P energy: -23.004
bonds (distance) P-C4' energy: -25.415
flat angles C4'-P-C4' energy: -33.372
flat angles P-C4'-P energy: -24.548
tors. eta vs tors. theta energy: -47.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -492.734416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.734416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.734416 (E_RNA)
where:
Base-Base interactions energy: -348.840
where: short stacking energy: -151.596
Base-Backbone interact. energy: -0.136
local terms energy: -153.758621
where:
bonds (distance) C4'-P energy: -29.169
bonds (distance) P-C4' energy: -29.013
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -20.298
tors. eta vs tors. theta energy: -45.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -484.991696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.991696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.991696 (E_RNA)
where:
Base-Base interactions energy: -353.517
where: short stacking energy: -142.720
Base-Backbone interact. energy: -0.004
local terms energy: -141.471239
where:
bonds (distance) C4'-P energy: -23.480
bonds (distance) P-C4' energy: -20.927
flat angles C4'-P-C4' energy: -29.421
flat angles P-C4'-P energy: -23.179
tors. eta vs tors. theta energy: -44.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -486.617532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.617532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.617532 (E_RNA)
where:
Base-Base interactions energy: -338.708
where: short stacking energy: -142.185
Base-Backbone interact. energy: -0.006
local terms energy: -157.903604
where:
bonds (distance) C4'-P energy: -26.640
bonds (distance) P-C4' energy: -30.100
flat angles C4'-P-C4' energy: -32.340
flat angles P-C4'-P energy: -21.192
tors. eta vs tors. theta energy: -47.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -467.391551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.391551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.391551 (E_RNA)
where:
Base-Base interactions energy: -338.668
where: short stacking energy: -143.142
Base-Backbone interact. energy: -0.592
local terms energy: -138.132325
where:
bonds (distance) C4'-P energy: -25.396
bonds (distance) P-C4' energy: -21.940
flat angles C4'-P-C4' energy: -27.889
flat angles P-C4'-P energy: -18.412
tors. eta vs tors. theta energy: -44.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -424.530346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.530346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.530346 (E_RNA)
where:
Base-Base interactions energy: -311.870
where: short stacking energy: -130.420
Base-Backbone interact. energy: -0.051
local terms energy: -122.608991
where:
bonds (distance) C4'-P energy: -27.314
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -22.769
flat angles P-C4'-P energy: -15.019
tors. eta vs tors. theta energy: -36.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -250.086874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.086874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.086874 (E_RNA)
where:
Base-Base interactions energy: -149.711
where: short stacking energy: -81.446
Base-Backbone interact. energy: 0.779
local terms energy: -111.154617
where:
bonds (distance) C4'-P energy: -30.506
bonds (distance) P-C4' energy: -26.302
flat angles C4'-P-C4' energy: -22.295
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -19.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -270.639081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.639081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.639081 (E_RNA)
where:
Base-Base interactions energy: -175.141
where: short stacking energy: -80.507
Base-Backbone interact. energy: -1.371
local terms energy: -104.127429
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -24.580
flat angles C4'-P-C4' energy: -26.237
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -18.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -124.041196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.041196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.041196 (E_RNA)
where:
Base-Base interactions energy: -51.392
where: short stacking energy: -41.614
Base-Backbone interact. energy: -0.205
local terms energy: -82.444238
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -26.435
flat angles C4'-P-C4' energy: -24.137
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -2.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -114.460022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.460022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.460022 (E_RNA)
where:
Base-Base interactions energy: -30.025
where: short stacking energy: -28.735
Base-Backbone interact. energy: -0.414
local terms energy: -94.020932
where:
bonds (distance) C4'-P energy: -28.614
bonds (distance) P-C4' energy: -26.072
flat angles C4'-P-C4' energy: -18.039
flat angles P-C4'-P energy: -22.717
tors. eta vs tors. theta energy: 1.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -490.980368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.980368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.980368 (E_RNA)
where:
Base-Base interactions energy: -350.789
where: short stacking energy: -153.783
Base-Backbone interact. energy: 0.397
local terms energy: -150.588345
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -30.208
flat angles C4'-P-C4' energy: -32.594
flat angles P-C4'-P energy: -25.076
tors. eta vs tors. theta energy: -45.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -497.738458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.738458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.738458 (E_RNA)
where:
Base-Base interactions energy: -349.017
where: short stacking energy: -151.473
Base-Backbone interact. energy: -0.001
local terms energy: -158.721358
where:
bonds (distance) C4'-P energy: -30.115
bonds (distance) P-C4' energy: -31.207
flat angles C4'-P-C4' energy: -31.839
flat angles P-C4'-P energy: -18.795
tors. eta vs tors. theta energy: -46.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -480.551800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.551800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.551800 (E_RNA)
where:
Base-Base interactions energy: -347.144
where: short stacking energy: -146.263
Base-Backbone interact. energy: -0.132
local terms energy: -143.275506
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -29.021
flat angles C4'-P-C4' energy: -28.817
flat angles P-C4'-P energy: -23.556
tors. eta vs tors. theta energy: -42.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -466.089974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.089974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.089974 (E_RNA)
where:
Base-Base interactions energy: -333.513
where: short stacking energy: -154.446
Base-Backbone interact. energy: -0.828
local terms energy: -141.749254
where:
bonds (distance) C4'-P energy: -21.302
bonds (distance) P-C4' energy: -25.512
flat angles C4'-P-C4' energy: -28.393
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -46.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -454.705307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.705307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.705307 (E_RNA)
where:
Base-Base interactions energy: -329.953
where: short stacking energy: -140.802
Base-Backbone interact. energy: -0.052
local terms energy: -134.700641
where:
bonds (distance) C4'-P energy: -27.428
bonds (distance) P-C4' energy: -21.102
flat angles C4'-P-C4' energy: -28.521
flat angles P-C4'-P energy: -16.842
tors. eta vs tors. theta energy: -40.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -443.463707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.463707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.463707 (E_RNA)
where:
Base-Base interactions energy: -315.503
where: short stacking energy: -117.939
Base-Backbone interact. energy: 1.471
local terms energy: -139.431576
where:
bonds (distance) C4'-P energy: -31.711
bonds (distance) P-C4' energy: -23.979
flat angles C4'-P-C4' energy: -26.481
flat angles P-C4'-P energy: -20.295
tors. eta vs tors. theta energy: -36.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -232.286610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.286610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.286610 (E_RNA)
where:
Base-Base interactions energy: -147.245
where: short stacking energy: -89.303
Base-Backbone interact. energy: -0.799
local terms energy: -94.242365
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -17.931
flat angles C4'-P-C4' energy: -25.722
flat angles P-C4'-P energy: -18.396
tors. eta vs tors. theta energy: -13.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -268.044397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.044397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.044397 (E_RNA)
where:
Base-Base interactions energy: -182.861
where: short stacking energy: -84.915
Base-Backbone interact. energy: -0.316
local terms energy: -94.866753
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -24.728
flat angles C4'-P-C4' energy: -27.283
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -15.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -123.043819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.043819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.043819 (E_RNA)
where:
Base-Base interactions energy: -51.243
where: short stacking energy: -37.195
Base-Backbone interact. energy: -0.521
local terms energy: -81.280072
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -23.058
flat angles C4'-P-C4' energy: -28.407
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -109.104161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.104161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.104161 (E_RNA)
where:
Base-Base interactions energy: -46.456
where: short stacking energy: -40.702
Base-Backbone interact. energy: -0.279
local terms energy: -72.368895
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -18.922
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -2.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -508.990018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.990018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.990018 (E_RNA)
where:
Base-Base interactions energy: -360.256
where: short stacking energy: -153.012
Base-Backbone interact. energy: -0.013
local terms energy: -158.720539
where:
bonds (distance) C4'-P energy: -28.254
bonds (distance) P-C4' energy: -30.965
flat angles C4'-P-C4' energy: -28.912
flat angles P-C4'-P energy: -24.284
tors. eta vs tors. theta energy: -46.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -483.768959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.768959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.768959 (E_RNA)
where:
Base-Base interactions energy: -345.221
where: short stacking energy: -154.929
Base-Backbone interact. energy: -0.246
local terms energy: -148.301877
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -22.952
flat angles C4'-P-C4' energy: -31.484
flat angles P-C4'-P energy: -23.461
tors. eta vs tors. theta energy: -44.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -481.120225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.120225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.120225 (E_RNA)
where:
Base-Base interactions energy: -347.856
where: short stacking energy: -139.253
Base-Backbone interact. energy: -2.127
local terms energy: -141.137306
where:
bonds (distance) C4'-P energy: -23.077
bonds (distance) P-C4' energy: -24.493
flat angles C4'-P-C4' energy: -28.107
flat angles P-C4'-P energy: -20.268
tors. eta vs tors. theta energy: -45.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -474.217989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.217989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.217989 (E_RNA)
where:
Base-Base interactions energy: -335.337
where: short stacking energy: -146.350
Base-Backbone interact. energy: -0.406
local terms energy: -148.474878
where:
bonds (distance) C4'-P energy: -26.052
bonds (distance) P-C4' energy: -30.594
flat angles C4'-P-C4' energy: -24.973
flat angles P-C4'-P energy: -23.141
tors. eta vs tors. theta energy: -43.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -462.680936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.680936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.680936 (E_RNA)
where:
Base-Base interactions energy: -342.170
where: short stacking energy: -136.638
Base-Backbone interact. energy: -0.183
local terms energy: -130.327439
where:
bonds (distance) C4'-P energy: -21.584
bonds (distance) P-C4' energy: -23.495
flat angles C4'-P-C4' energy: -27.139
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -41.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -453.747826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.747826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.747826 (E_RNA)
where:
Base-Base interactions energy: -324.928
where: short stacking energy: -140.195
Base-Backbone interact. energy: -0.011
local terms energy: -138.808760
where:
bonds (distance) C4'-P energy: -24.933
bonds (distance) P-C4' energy: -29.149
flat angles C4'-P-C4' energy: -29.263
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -42.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -245.340214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.340214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.340214 (E_RNA)
where:
Base-Base interactions energy: -150.737
where: short stacking energy: -86.100
Base-Backbone interact. energy: -1.191
local terms energy: -103.412634
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -27.462
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -17.415
tors. eta vs tors. theta energy: -24.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -232.120634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.120634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.120634 (E_RNA)
where:
Base-Base interactions energy: -148.706
where: short stacking energy: -66.258
Base-Backbone interact. energy: -0.335
local terms energy: -93.079571
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -24.185
flat angles P-C4'-P energy: -13.124
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -139.222775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.222775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.222775 (E_RNA)
where:
Base-Base interactions energy: -52.347
where: short stacking energy: -51.413
Base-Backbone interact. energy: -0.051
local terms energy: -96.824818
where:
bonds (distance) C4'-P energy: -27.855
bonds (distance) P-C4' energy: -26.601
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -8.754
tors. eta vs tors. theta energy: -13.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -142.710616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.710616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.710616 (E_RNA)
where:
Base-Base interactions energy: -66.629
where: short stacking energy: -29.294
Base-Backbone interact. energy: -0.155
local terms energy: -85.926169
where:
bonds (distance) C4'-P energy: -25.369
bonds (distance) P-C4' energy: -28.207
flat angles C4'-P-C4' energy: -20.266
flat angles P-C4'-P energy: -16.634
tors. eta vs tors. theta energy: 4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -492.807587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.807587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.807587 (E_RNA)
where:
Base-Base interactions energy: -353.734
where: short stacking energy: -147.772
Base-Backbone interact. energy: -0.136
local terms energy: -148.937613
where:
bonds (distance) C4'-P energy: -23.020
bonds (distance) P-C4' energy: -29.242
flat angles C4'-P-C4' energy: -29.244
flat angles P-C4'-P energy: -23.833
tors. eta vs tors. theta energy: -43.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -480.104012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.104012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.104012 (E_RNA)
where:
Base-Base interactions energy: -353.572
where: short stacking energy: -154.672
Base-Backbone interact. energy: -0.046
local terms energy: -136.486787
where:
bonds (distance) C4'-P energy: -28.092
bonds (distance) P-C4' energy: -15.902
flat angles C4'-P-C4' energy: -27.745
flat angles P-C4'-P energy: -20.195
tors. eta vs tors. theta energy: -44.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -483.438656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.438656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.438656 (E_RNA)
where:
Base-Base interactions energy: -338.944
where: short stacking energy: -145.121
Base-Backbone interact. energy: -0.203
local terms energy: -154.291050
where:
bonds (distance) C4'-P energy: -29.814
bonds (distance) P-C4' energy: -27.369
flat angles C4'-P-C4' energy: -31.485
flat angles P-C4'-P energy: -19.161
tors. eta vs tors. theta energy: -46.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -473.762078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.762078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.762078 (E_RNA)
where:
Base-Base interactions energy: -353.681
where: short stacking energy: -146.777
Base-Backbone interact. energy: -0.383
local terms energy: -129.698081
where:
bonds (distance) C4'-P energy: -25.239
bonds (distance) P-C4' energy: -23.973
flat angles C4'-P-C4' energy: -24.062
flat angles P-C4'-P energy: -17.341
tors. eta vs tors. theta energy: -39.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -466.277068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.277068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.277068 (E_RNA)
where:
Base-Base interactions energy: -332.880
where: short stacking energy: -140.203
Base-Backbone interact. energy: -0.044
local terms energy: -143.352859
where:
bonds (distance) C4'-P energy: -27.417
bonds (distance) P-C4' energy: -23.354
flat angles C4'-P-C4' energy: -31.503
flat angles P-C4'-P energy: -21.011
tors. eta vs tors. theta energy: -40.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -436.734530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.734530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.734530 (E_RNA)
where:
Base-Base interactions energy: -323.486
where: short stacking energy: -128.330
Base-Backbone interact. energy: -0.198
local terms energy: -123.050484
where:
bonds (distance) C4'-P energy: -22.958
bonds (distance) P-C4' energy: -29.231
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -36.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -231.632855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.632855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.632855 (E_RNA)
where:
Base-Base interactions energy: -139.880
where: short stacking energy: -66.330
Base-Backbone interact. energy: -0.303
local terms energy: -101.450151
where:
bonds (distance) C4'-P energy: -25.147
bonds (distance) P-C4' energy: -25.060
flat angles C4'-P-C4' energy: -27.988
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -12.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -215.439450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.439450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.439450 (E_RNA)
where:
Base-Base interactions energy: -137.538
where: short stacking energy: -61.475
Base-Backbone interact. energy: -0.287
local terms energy: -87.614570
where:
bonds (distance) C4'-P energy: -22.493
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -136.951799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.951799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.951799 (E_RNA)
where:
Base-Base interactions energy: -51.781
where: short stacking energy: -51.387
Base-Backbone interact. energy: -0.356
local terms energy: -94.814671
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -30.200
flat angles C4'-P-C4' energy: -21.770
flat angles P-C4'-P energy: -16.692
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -136.681967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.681967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.681967 (E_RNA)
where:
Base-Base interactions energy: -71.279
where: short stacking energy: -50.707
Base-Backbone interact. energy: -2.161
local terms energy: -73.242624
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -25.143
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -494.108461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.108461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.108461 (E_RNA)
where:
Base-Base interactions energy: -355.676
where: short stacking energy: -153.062
Base-Backbone interact. energy: -0.881
local terms energy: -147.552113
where:
bonds (distance) C4'-P energy: -25.008
bonds (distance) P-C4' energy: -26.400
flat angles C4'-P-C4' energy: -26.945
flat angles P-C4'-P energy: -22.185
tors. eta vs tors. theta energy: -47.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -487.902673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.902673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.902673 (E_RNA)
where:
Base-Base interactions energy: -348.132
where: short stacking energy: -153.740
Base-Backbone interact. energy: -0.242
local terms energy: -149.528431
where:
bonds (distance) C4'-P energy: -26.417
bonds (distance) P-C4' energy: -25.886
flat angles C4'-P-C4' energy: -31.578
flat angles P-C4'-P energy: -19.688
tors. eta vs tors. theta energy: -45.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -481.851427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.851427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.851427 (E_RNA)
where:
Base-Base interactions energy: -348.581
where: short stacking energy: -145.179
Base-Backbone interact. energy: -0.320
local terms energy: -142.949616
where:
bonds (distance) C4'-P energy: -23.464
bonds (distance) P-C4' energy: -27.962
flat angles C4'-P-C4' energy: -28.737
flat angles P-C4'-P energy: -20.932
tors. eta vs tors. theta energy: -41.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -472.303738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.303738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.303738 (E_RNA)
where:
Base-Base interactions energy: -340.222
where: short stacking energy: -139.694
Base-Backbone interact. energy: -0.032
local terms energy: -142.049453
where:
bonds (distance) C4'-P energy: -26.421
bonds (distance) P-C4' energy: -23.350
flat angles C4'-P-C4' energy: -27.942
flat angles P-C4'-P energy: -23.133
tors. eta vs tors. theta energy: -41.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -430.669313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.669313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.669313 (E_RNA)
where:
Base-Base interactions energy: -307.207
where: short stacking energy: -124.323
Base-Backbone interact. energy: -1.316
local terms energy: -132.146238
where:
bonds (distance) C4'-P energy: -25.939
bonds (distance) P-C4' energy: -24.609
flat angles C4'-P-C4' energy: -24.821
flat angles P-C4'-P energy: -21.405
tors. eta vs tors. theta energy: -35.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -467.073886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.073886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.073886 (E_RNA)
where:
Base-Base interactions energy: -330.572
where: short stacking energy: -141.805
Base-Backbone interact. energy: 0.653
local terms energy: -147.154880
where:
bonds (distance) C4'-P energy: -22.150
bonds (distance) P-C4' energy: -29.633
flat angles C4'-P-C4' energy: -28.622
flat angles P-C4'-P energy: -20.309
tors. eta vs tors. theta energy: -46.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -234.989063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.989063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.989063 (E_RNA)
where:
Base-Base interactions energy: -142.778
where: short stacking energy: -75.024
Base-Backbone interact. energy: -0.549
local terms energy: -101.661833
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -23.484
flat angles C4'-P-C4' energy: -23.784
flat angles P-C4'-P energy: -18.138
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -249.375642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.375642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.375642 (E_RNA)
where:
Base-Base interactions energy: -152.929
where: short stacking energy: -81.873
Base-Backbone interact. energy: -0.115
local terms energy: -106.332064
where:
bonds (distance) C4'-P energy: -26.257
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -23.192
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -153.121379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.121379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.121379 (E_RNA)
where:
Base-Base interactions energy: -79.223
where: short stacking energy: -54.345
Base-Backbone interact. energy: 1.272
local terms energy: -85.170702
where:
bonds (distance) C4'-P energy: -22.128
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -24.939
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -8.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -124.249218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.249218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.249218 (E_RNA)
where:
Base-Base interactions energy: -54.821
where: short stacking energy: -52.449
Base-Backbone interact. energy: -0.361
local terms energy: -79.067307
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -26.271
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -7.591
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -499.012352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.012352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.012352 (E_RNA)
where:
Base-Base interactions energy: -357.586
where: short stacking energy: -152.568
Base-Backbone interact. energy: -0.450
local terms energy: -150.976729
where:
bonds (distance) C4'-P energy: -23.149
bonds (distance) P-C4' energy: -27.374
flat angles C4'-P-C4' energy: -32.377
flat angles P-C4'-P energy: -19.786
tors. eta vs tors. theta energy: -48.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -493.266930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.266930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.266930 (E_RNA)
where:
Base-Base interactions energy: -349.191
where: short stacking energy: -143.776
Base-Backbone interact. energy: -0.029
local terms energy: -154.047512
where:
bonds (distance) C4'-P energy: -29.566
bonds (distance) P-C4' energy: -25.200
flat angles C4'-P-C4' energy: -35.097
flat angles P-C4'-P energy: -21.453
tors. eta vs tors. theta energy: -42.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -481.172988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.172988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.172988 (E_RNA)
where:
Base-Base interactions energy: -337.973
where: short stacking energy: -143.084
Base-Backbone interact. energy: -0.007
local terms energy: -153.192533
where:
bonds (distance) C4'-P energy: -28.772
bonds (distance) P-C4' energy: -27.395
flat angles C4'-P-C4' energy: -27.857
flat angles P-C4'-P energy: -25.843
tors. eta vs tors. theta energy: -43.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -484.469141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.469141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.469141 (E_RNA)
where:
Base-Base interactions energy: -350.724
where: short stacking energy: -143.914
Base-Backbone interact. energy: -0.355
local terms energy: -143.390209
where:
bonds (distance) C4'-P energy: -28.327
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -26.837
flat angles P-C4'-P energy: -22.287
tors. eta vs tors. theta energy: -44.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -439.387280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.387280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.387280 (E_RNA)
where:
Base-Base interactions energy: -314.125
where: short stacking energy: -121.819
Base-Backbone interact. energy: -0.233
local terms energy: -135.029801
where:
bonds (distance) C4'-P energy: -24.875
bonds (distance) P-C4' energy: -30.409
flat angles C4'-P-C4' energy: -25.402
flat angles P-C4'-P energy: -22.724
tors. eta vs tors. theta energy: -31.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -445.889977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.889977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.889977 (E_RNA)
where:
Base-Base interactions energy: -320.810
where: short stacking energy: -131.629
Base-Backbone interact. energy: -0.021
local terms energy: -135.058934
where:
bonds (distance) C4'-P energy: -21.843
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -23.641
flat angles P-C4'-P energy: -22.095
tors. eta vs tors. theta energy: -42.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -238.086884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.086884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.086884 (E_RNA)
where:
Base-Base interactions energy: -148.138
where: short stacking energy: -91.611
Base-Backbone interact. energy: -0.216
local terms energy: -99.733272
where:
bonds (distance) C4'-P energy: -19.778
bonds (distance) P-C4' energy: -27.156
flat angles C4'-P-C4' energy: -21.870
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -20.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -226.306787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.306787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.306787 (E_RNA)
where:
Base-Base interactions energy: -135.614
where: short stacking energy: -76.096
Base-Backbone interact. energy: -0.135
local terms energy: -100.557658
where:
bonds (distance) C4'-P energy: -20.851
bonds (distance) P-C4' energy: -27.230
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -14.712
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -173.229080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.229080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.229080 (E_RNA)
where:
Base-Base interactions energy: -102.404
where: short stacking energy: -48.632
Base-Backbone interact. energy: 0.245
local terms energy: -81.070063
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -29.857
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -2.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -115.263515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.263515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.263515 (E_RNA)
where:
Base-Base interactions energy: -42.669
where: short stacking energy: -42.669
Base-Backbone interact. energy: -1.299
local terms energy: -81.295673
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -24.785
flat angles C4'-P-C4' energy: -20.505
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -6.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -497.583331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.583331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.583331 (E_RNA)
where:
Base-Base interactions energy: -351.042
where: short stacking energy: -153.898
Base-Backbone interact. energy: -0.020
local terms energy: -156.521741
where:
bonds (distance) C4'-P energy: -27.867
bonds (distance) P-C4' energy: -26.934
flat angles C4'-P-C4' energy: -34.868
flat angles P-C4'-P energy: -21.766
tors. eta vs tors. theta energy: -45.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -485.423667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.423667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.423667 (E_RNA)
where:
Base-Base interactions energy: -348.392
where: short stacking energy: -149.259
Base-Backbone interact. energy: -0.487
local terms energy: -146.545334
where:
bonds (distance) C4'-P energy: -26.617
bonds (distance) P-C4' energy: -20.565
flat angles C4'-P-C4' energy: -29.188
flat angles P-C4'-P energy: -23.962
tors. eta vs tors. theta energy: -46.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -487.831995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.831995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.831995 (E_RNA)
where:
Base-Base interactions energy: -348.674
where: short stacking energy: -140.720
Base-Backbone interact. energy: -0.450
local terms energy: -148.707908
where:
bonds (distance) C4'-P energy: -27.530
bonds (distance) P-C4' energy: -25.230
flat angles C4'-P-C4' energy: -30.952
flat angles P-C4'-P energy: -21.198
tors. eta vs tors. theta energy: -43.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -479.351511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.351511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.351511 (E_RNA)
where:
Base-Base interactions energy: -347.465
where: short stacking energy: -146.120
Base-Backbone interact. energy: -0.199
local terms energy: -141.688130
where:
bonds (distance) C4'-P energy: -20.061
bonds (distance) P-C4' energy: -27.974
flat angles C4'-P-C4' energy: -28.523
flat angles P-C4'-P energy: -19.465
tors. eta vs tors. theta energy: -45.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -467.420535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.420535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.420535 (E_RNA)
where:
Base-Base interactions energy: -339.127
where: short stacking energy: -140.061
Base-Backbone interact. energy: -0.004
local terms energy: -138.289369
where:
bonds (distance) C4'-P energy: -22.464
bonds (distance) P-C4' energy: -27.944
flat angles C4'-P-C4' energy: -30.578
flat angles P-C4'-P energy: -16.911
tors. eta vs tors. theta energy: -40.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -444.469756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.469756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.469756 (E_RNA)
where:
Base-Base interactions energy: -323.107
where: short stacking energy: -131.821
Base-Backbone interact. energy: 1.451
local terms energy: -132.813248
where:
bonds (distance) C4'-P energy: -25.904
bonds (distance) P-C4' energy: -25.590
flat angles C4'-P-C4' energy: -24.588
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -37.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -247.418433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.418433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.418433 (E_RNA)
where:
Base-Base interactions energy: -167.249
where: short stacking energy: -84.214
Base-Backbone interact. energy: -0.891
local terms energy: -89.279079
where:
bonds (distance) C4'-P energy: -24.399
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -15.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -218.674341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.674341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.674341 (E_RNA)
where:
Base-Base interactions energy: -142.375
where: short stacking energy: -67.822
Base-Backbone interact. energy: -0.228
local terms energy: -86.070657
where:
bonds (distance) C4'-P energy: -22.708
bonds (distance) P-C4' energy: -28.104
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: -7.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -185.791103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.791103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.791103 (E_RNA)
where:
Base-Base interactions energy: -108.272
where: short stacking energy: -57.613
Base-Backbone interact. energy: 0.021
local terms energy: -87.539939
where:
bonds (distance) C4'-P energy: -26.189
bonds (distance) P-C4' energy: -26.104
flat angles C4'-P-C4' energy: -21.647
flat angles P-C4'-P energy: -4.234
tors. eta vs tors. theta energy: -9.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -111.358880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.358880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.358880 (E_RNA)
where:
Base-Base interactions energy: -45.222
where: short stacking energy: -41.429
Base-Backbone interact. energy: -0.595
local terms energy: -75.542134
where:
bonds (distance) C4'-P energy: -26.594
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -19.582
flat angles P-C4'-P energy: -10.595
tors. eta vs tors. theta energy: 7.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -494.706865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.706865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.706865 (E_RNA)
where:
Base-Base interactions energy: -354.181
where: short stacking energy: -146.925
Base-Backbone interact. energy: -0.239
local terms energy: -150.286433
where:
bonds (distance) C4'-P energy: -26.051
bonds (distance) P-C4' energy: -31.291
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -23.263
tors. eta vs tors. theta energy: -43.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -486.663815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.663815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.663815 (E_RNA)
where:
Base-Base interactions energy: -345.134
where: short stacking energy: -143.387
Base-Backbone interact. energy: -0.411
local terms energy: -151.119232
where:
bonds (distance) C4'-P energy: -25.379
bonds (distance) P-C4' energy: -29.171
flat angles C4'-P-C4' energy: -30.160
flat angles P-C4'-P energy: -22.719
tors. eta vs tors. theta energy: -43.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -476.783944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.783944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.783944 (E_RNA)
where:
Base-Base interactions energy: -347.608
where: short stacking energy: -145.755
Base-Backbone interact. energy: -0.638
local terms energy: -138.537871
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -25.415
flat angles C4'-P-C4' energy: -27.488
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -41.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -478.488539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.488539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.488539 (E_RNA)
where:
Base-Base interactions energy: -337.846
where: short stacking energy: -142.198
Base-Backbone interact. energy: -0.029
local terms energy: -150.613206
where:
bonds (distance) C4'-P energy: -24.436
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -30.302
flat angles P-C4'-P energy: -22.112
tors. eta vs tors. theta energy: -44.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -459.112898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.112898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.112898 (E_RNA)
where:
Base-Base interactions energy: -331.515
where: short stacking energy: -126.712
Base-Backbone interact. energy: -0.196
local terms energy: -137.402079
where:
bonds (distance) C4'-P energy: -19.469
bonds (distance) P-C4' energy: -28.833
flat angles C4'-P-C4' energy: -28.665
flat angles P-C4'-P energy: -22.274
tors. eta vs tors. theta energy: -38.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -451.275689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.275689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.275689 (E_RNA)
where:
Base-Base interactions energy: -337.053
where: short stacking energy: -139.181
Base-Backbone interact. energy: -0.330
local terms energy: -123.892343
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -25.902
flat angles C4'-P-C4' energy: -23.462
flat angles P-C4'-P energy: -21.246
tors. eta vs tors. theta energy: -37.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -212.453389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.453389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.453389 (E_RNA)
where:
Base-Base interactions energy: -122.207
where: short stacking energy: -59.794
Base-Backbone interact. energy: -1.258
local terms energy: -98.988058
where:
bonds (distance) C4'-P energy: -20.238
bonds (distance) P-C4' energy: -24.472
flat angles C4'-P-C4' energy: -24.276
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: -9.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -226.100314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.100314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.100314 (E_RNA)
where:
Base-Base interactions energy: -130.948
where: short stacking energy: -76.495
Base-Backbone interact. energy: 0.597
local terms energy: -105.749288
where:
bonds (distance) C4'-P energy: -25.611
bonds (distance) P-C4' energy: -23.844
flat angles C4'-P-C4' energy: -23.750
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -217.025744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.025744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.025744 (E_RNA)
where:
Base-Base interactions energy: -144.106
where: short stacking energy: -69.699
Base-Backbone interact. energy: -0.455
local terms energy: -82.464834
where:
bonds (distance) C4'-P energy: -19.328
bonds (distance) P-C4' energy: -24.920
flat angles C4'-P-C4' energy: -23.116
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -8.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -116.560161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.560161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.560161 (E_RNA)
where:
Base-Base interactions energy: -64.206
where: short stacking energy: -29.499
Base-Backbone interact. energy: -0.302
local terms energy: -62.051740
where:
bonds (distance) C4'-P energy: -24.089
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: 7.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -492.741962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.741962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.741962 (E_RNA)
where:
Base-Base interactions energy: -347.501
where: short stacking energy: -150.977
Base-Backbone interact. energy: -0.234
local terms energy: -155.006783
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -27.141
flat angles C4'-P-C4' energy: -34.451
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -45.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -480.711498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.711498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.711498 (E_RNA)
where:
Base-Base interactions energy: -342.586
where: short stacking energy: -141.357
Base-Backbone interact. energy: -0.445
local terms energy: -147.680709
where:
bonds (distance) C4'-P energy: -24.852
bonds (distance) P-C4' energy: -27.512
flat angles C4'-P-C4' energy: -31.842
flat angles P-C4'-P energy: -22.679
tors. eta vs tors. theta energy: -40.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -481.991739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.991739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.991739 (E_RNA)
where:
Base-Base interactions energy: -339.762
where: short stacking energy: -152.040
Base-Backbone interact. energy: -0.392
local terms energy: -151.838215
where:
bonds (distance) C4'-P energy: -26.161
bonds (distance) P-C4' energy: -25.379
flat angles C4'-P-C4' energy: -28.081
flat angles P-C4'-P energy: -24.608
tors. eta vs tors. theta energy: -47.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -482.378734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.378734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.378734 (E_RNA)
where:
Base-Base interactions energy: -346.259
where: short stacking energy: -143.756
Base-Backbone interact. energy: 1.104
local terms energy: -147.224316
where:
bonds (distance) C4'-P energy: -25.521
bonds (distance) P-C4' energy: -23.861
flat angles C4'-P-C4' energy: -31.007
flat angles P-C4'-P energy: -21.867
tors. eta vs tors. theta energy: -44.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -442.406556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.406556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.406556 (E_RNA)
where:
Base-Base interactions energy: -309.743
where: short stacking energy: -118.174
Base-Backbone interact. energy: -0.641
local terms energy: -142.022819
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -30.117
flat angles C4'-P-C4' energy: -31.205
flat angles P-C4'-P energy: -20.390
tors. eta vs tors. theta energy: -36.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -454.666481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.666481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.666481 (E_RNA)
where:
Base-Base interactions energy: -326.732
where: short stacking energy: -137.904
Base-Backbone interact. energy: 0.017
local terms energy: -137.951365
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -29.251
flat angles C4'-P-C4' energy: -26.878
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: -42.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -254.831199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.831199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.831199 (E_RNA)
where:
Base-Base interactions energy: -146.331
where: short stacking energy: -83.749
Base-Backbone interact. energy: -0.175
local terms energy: -118.325239
where:
bonds (distance) C4'-P energy: -29.780
bonds (distance) P-C4' energy: -26.558
flat angles C4'-P-C4' energy: -25.170
flat angles P-C4'-P energy: -16.945
tors. eta vs tors. theta energy: -19.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -217.639789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.639789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.639789 (E_RNA)
where:
Base-Base interactions energy: -144.009
where: short stacking energy: -64.364
Base-Backbone interact. energy: 0.374
local terms energy: -84.004043
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -29.867
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -5.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -222.916538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.916538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.916538 (E_RNA)
where:
Base-Base interactions energy: -143.966
where: short stacking energy: -76.330
Base-Backbone interact. energy: 1.599
local terms energy: -90.549520
where:
bonds (distance) C4'-P energy: -24.038
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -21.849
flat angles P-C4'-P energy: -22.899
tors. eta vs tors. theta energy: -6.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -135.457849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.457849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.457849 (E_RNA)
where:
Base-Base interactions energy: -67.244
where: short stacking energy: -50.553
Base-Backbone interact. energy: -0.117
local terms energy: -78.096811
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -6.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -502.337678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.337678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.337678 (E_RNA)
where:
Base-Base interactions energy: -362.195
where: short stacking energy: -155.133
Base-Backbone interact. energy: -0.033
local terms energy: -150.109631
where:
bonds (distance) C4'-P energy: -23.240
bonds (distance) P-C4' energy: -28.807
flat angles C4'-P-C4' energy: -29.024
flat angles P-C4'-P energy: -23.694
tors. eta vs tors. theta energy: -45.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -486.433504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.433504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.433504 (E_RNA)
where:
Base-Base interactions energy: -334.166
where: short stacking energy: -146.027
Base-Backbone interact. energy: -0.044
local terms energy: -162.223310
where:
bonds (distance) C4'-P energy: -25.810
bonds (distance) P-C4' energy: -31.620
flat angles C4'-P-C4' energy: -34.685
flat angles P-C4'-P energy: -23.305
tors. eta vs tors. theta energy: -46.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -489.744834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.744834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.744834 (E_RNA)
where:
Base-Base interactions energy: -341.301
where: short stacking energy: -148.192
Base-Backbone interact. energy: -0.385
local terms energy: -158.058837
where:
bonds (distance) C4'-P energy: -26.944
bonds (distance) P-C4' energy: -27.653
flat angles C4'-P-C4' energy: -31.043
flat angles P-C4'-P energy: -24.944
tors. eta vs tors. theta energy: -47.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -485.820506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.820506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.820506 (E_RNA)
where:
Base-Base interactions energy: -342.888
where: short stacking energy: -137.661
Base-Backbone interact. energy: -0.872
local terms energy: -152.060333
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -24.850
flat angles C4'-P-C4' energy: -34.042
flat angles P-C4'-P energy: -22.880
tors. eta vs tors. theta energy: -44.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -454.357986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.357986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.357986 (E_RNA)
where:
Base-Base interactions energy: -325.795
where: short stacking energy: -134.594
Base-Backbone interact. energy: -0.896
local terms energy: -137.667391
where:
bonds (distance) C4'-P energy: -24.585
bonds (distance) P-C4' energy: -22.977
flat angles C4'-P-C4' energy: -33.066
flat angles P-C4'-P energy: -18.444
tors. eta vs tors. theta energy: -38.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -452.121002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.121002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.121002 (E_RNA)
where:
Base-Base interactions energy: -321.911
where: short stacking energy: -136.482
Base-Backbone interact. energy: 0.132
local terms energy: -140.342121
where:
bonds (distance) C4'-P energy: -30.037
bonds (distance) P-C4' energy: -21.255
flat angles C4'-P-C4' energy: -28.143
flat angles P-C4'-P energy: -21.817
tors. eta vs tors. theta energy: -39.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -240.788976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.788976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.788976 (E_RNA)
where:
Base-Base interactions energy: -149.365
where: short stacking energy: -85.117
Base-Backbone interact. energy: 1.919
local terms energy: -103.343227
where:
bonds (distance) C4'-P energy: -22.264
bonds (distance) P-C4' energy: -22.987
flat angles C4'-P-C4' energy: -28.113
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -12.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -234.493598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.493598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.493598 (E_RNA)
where:
Base-Base interactions energy: -148.746
where: short stacking energy: -68.565
Base-Backbone interact. energy: 0.088
local terms energy: -95.835748
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -23.566
flat angles C4'-P-C4' energy: -26.003
flat angles P-C4'-P energy: -17.154
tors. eta vs tors. theta energy: -10.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -196.484879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.484879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.484879 (E_RNA)
where:
Base-Base interactions energy: -114.793
where: short stacking energy: -61.559
Base-Backbone interact. energy: -0.272
local terms energy: -91.420339
where:
bonds (distance) C4'-P energy: -24.101
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -11.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -114.219199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.219199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.219199 (E_RNA)
where:
Base-Base interactions energy: -60.418
where: short stacking energy: -38.667
Base-Backbone interact. energy: 3.038
local terms energy: -66.839018
where:
bonds (distance) C4'-P energy: -20.650
bonds (distance) P-C4' energy: -26.423
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -9.559
tors. eta vs tors. theta energy: 2.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -500.425578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.425578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.425578 (E_RNA)
where:
Base-Base interactions energy: -349.483
where: short stacking energy: -155.119
Base-Backbone interact. energy: -0.372
local terms energy: -160.570649
where:
bonds (distance) C4'-P energy: -28.173
bonds (distance) P-C4' energy: -29.145
flat angles C4'-P-C4' energy: -32.849
flat angles P-C4'-P energy: -25.765
tors. eta vs tors. theta energy: -44.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -487.321006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.321006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.321006 (E_RNA)
where:
Base-Base interactions energy: -345.178
where: short stacking energy: -150.061
Base-Backbone interact. energy: -0.181
local terms energy: -151.961620
where:
bonds (distance) C4'-P energy: -27.624
bonds (distance) P-C4' energy: -28.648
flat angles C4'-P-C4' energy: -28.904
flat angles P-C4'-P energy: -20.162
tors. eta vs tors. theta energy: -46.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -483.432822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.432822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.432822 (E_RNA)
where:
Base-Base interactions energy: -341.822
where: short stacking energy: -147.524
Base-Backbone interact. energy: -0.731
local terms energy: -150.880317
where:
bonds (distance) C4'-P energy: -26.283
bonds (distance) P-C4' energy: -25.691
flat angles C4'-P-C4' energy: -33.815
flat angles P-C4'-P energy: -20.952
tors. eta vs tors. theta energy: -44.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -472.080909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.080909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.080909 (E_RNA)
where:
Base-Base interactions energy: -332.319
where: short stacking energy: -144.788
Base-Backbone interact. energy: -0.093
local terms energy: -149.668455
where:
bonds (distance) C4'-P energy: -25.129
bonds (distance) P-C4' energy: -28.102
flat angles C4'-P-C4' energy: -31.974
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -44.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -460.128801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.128801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.128801 (E_RNA)
where:
Base-Base interactions energy: -333.542
where: short stacking energy: -135.036
Base-Backbone interact. energy: -0.203
local terms energy: -136.384032
where:
bonds (distance) C4'-P energy: -22.292
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -27.279
flat angles P-C4'-P energy: -20.538
tors. eta vs tors. theta energy: -43.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -458.826019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.826019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.826019 (E_RNA)
where:
Base-Base interactions energy: -329.832
where: short stacking energy: -144.135
Base-Backbone interact. energy: -0.110
local terms energy: -138.884795
where:
bonds (distance) C4'-P energy: -21.609
bonds (distance) P-C4' energy: -23.781
flat angles C4'-P-C4' energy: -27.587
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: -44.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -271.828430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.828430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.828430 (E_RNA)
where:
Base-Base interactions energy: -161.197
where: short stacking energy: -82.592
Base-Backbone interact. energy: -0.171
local terms energy: -120.461116
where:
bonds (distance) C4'-P energy: -28.543
bonds (distance) P-C4' energy: -28.906
flat angles C4'-P-C4' energy: -24.247
flat angles P-C4'-P energy: -19.737
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -219.043824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.043824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.043824 (E_RNA)
where:
Base-Base interactions energy: -136.775
where: short stacking energy: -72.178
Base-Backbone interact. energy: -0.302
local terms energy: -91.967168
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -25.860
flat angles C4'-P-C4' energy: -27.453
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -11.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -184.863664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.863664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.863664 (E_RNA)
where:
Base-Base interactions energy: -106.416
where: short stacking energy: -47.922
Base-Backbone interact. energy: -0.356
local terms energy: -88.092107
where:
bonds (distance) C4'-P energy: -22.159
bonds (distance) P-C4' energy: -26.926
flat angles C4'-P-C4' energy: -23.099
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -3.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -119.772522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.772522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.772522 (E_RNA)
where:
Base-Base interactions energy: -55.690
where: short stacking energy: -49.022
Base-Backbone interact. energy: 2.504
local terms energy: -76.586461
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -27.606
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -8.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -488.339751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.339751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.339751 (E_RNA)
where:
Base-Base interactions energy: -352.650
where: short stacking energy: -146.368
Base-Backbone interact. energy: -0.357
local terms energy: -145.332778
where:
bonds (distance) C4'-P energy: -25.624
bonds (distance) P-C4' energy: -22.260
flat angles C4'-P-C4' energy: -28.087
flat angles P-C4'-P energy: -26.393
tors. eta vs tors. theta energy: -42.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -491.968005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.968005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.968005 (E_RNA)
where:
Base-Base interactions energy: -355.924
where: short stacking energy: -153.582
Base-Backbone interact. energy: -0.663
local terms energy: -145.380993
where:
bonds (distance) C4'-P energy: -26.947
bonds (distance) P-C4' energy: -19.613
flat angles C4'-P-C4' energy: -29.240
flat angles P-C4'-P energy: -23.713
tors. eta vs tors. theta energy: -45.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -478.046639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.046639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.046639 (E_RNA)
where:
Base-Base interactions energy: -341.392
where: short stacking energy: -139.926
Base-Backbone interact. energy: 0.344
local terms energy: -146.998360
where:
bonds (distance) C4'-P energy: -22.763
bonds (distance) P-C4' energy: -30.874
flat angles C4'-P-C4' energy: -29.353
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -44.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -473.284362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.284362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.284362 (E_RNA)
where:
Base-Base interactions energy: -336.804
where: short stacking energy: -140.733
Base-Backbone interact. energy: -0.381
local terms energy: -146.099916
where:
bonds (distance) C4'-P energy: -25.777
bonds (distance) P-C4' energy: -28.354
flat angles C4'-P-C4' energy: -29.799
flat angles P-C4'-P energy: -18.825
tors. eta vs tors. theta energy: -43.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -448.863527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.863527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.863527 (E_RNA)
where:
Base-Base interactions energy: -328.354
where: short stacking energy: -132.574
Base-Backbone interact. energy: -0.615
local terms energy: -129.894406
where:
bonds (distance) C4'-P energy: -25.281
bonds (distance) P-C4' energy: -29.196
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -17.597
tors. eta vs tors. theta energy: -38.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -448.021148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.021148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.021148 (E_RNA)
where:
Base-Base interactions energy: -321.079
where: short stacking energy: -126.641
Base-Backbone interact. energy: -0.224
local terms energy: -136.717891
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -29.861
flat angles C4'-P-C4' energy: -30.367
flat angles P-C4'-P energy: -18.053
tors. eta vs tors. theta energy: -37.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -280.716292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.716292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.716292 (E_RNA)
where:
Base-Base interactions energy: -187.067
where: short stacking energy: -80.195
Base-Backbone interact. energy: -0.170
local terms energy: -103.478570
where:
bonds (distance) C4'-P energy: -22.672
bonds (distance) P-C4' energy: -22.798
flat angles C4'-P-C4' energy: -25.578
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -20.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -199.719462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.719462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.719462 (E_RNA)
where:
Base-Base interactions energy: -115.793
where: short stacking energy: -72.830
Base-Backbone interact. energy: 1.140
local terms energy: -95.065577
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -26.848
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -6.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -191.482001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.482001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.482001 (E_RNA)
where:
Base-Base interactions energy: -139.237
where: short stacking energy: -65.158
Base-Backbone interact. energy: -0.390
local terms energy: -61.855251
where:
bonds (distance) C4'-P energy: -20.125
bonds (distance) P-C4' energy: -17.589
flat angles C4'-P-C4' energy: -10.619
flat angles P-C4'-P energy: -5.798
tors. eta vs tors. theta energy: -7.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -122.125457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.125457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.125457 (E_RNA)
where:
Base-Base interactions energy: -62.256
where: short stacking energy: -41.954
Base-Backbone interact. energy: -0.331
local terms energy: -69.538694
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -23.607
flat angles C4'-P-C4' energy: -20.891
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: 3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -490.696997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.696997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.696997 (E_RNA)
where:
Base-Base interactions energy: -349.659
where: short stacking energy: -150.564
Base-Backbone interact. energy: -0.620
local terms energy: -150.418104
where:
bonds (distance) C4'-P energy: -25.600
bonds (distance) P-C4' energy: -26.439
flat angles C4'-P-C4' energy: -32.009
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -46.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -492.139808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.139808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.139808 (E_RNA)
where:
Base-Base interactions energy: -347.437
where: short stacking energy: -144.042
Base-Backbone interact. energy: -0.212
local terms energy: -154.491181
where:
bonds (distance) C4'-P energy: -28.656
bonds (distance) P-C4' energy: -29.718
flat angles C4'-P-C4' energy: -33.189
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -46.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -478.436637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.436637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.436637 (E_RNA)
where:
Base-Base interactions energy: -342.540
where: short stacking energy: -142.994
Base-Backbone interact. energy: -0.303
local terms energy: -145.593824
where:
bonds (distance) C4'-P energy: -25.322
bonds (distance) P-C4' energy: -24.896
flat angles C4'-P-C4' energy: -27.315
flat angles P-C4'-P energy: -23.895
tors. eta vs tors. theta energy: -44.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -476.733977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.733977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.733977 (E_RNA)
where:
Base-Base interactions energy: -336.810
where: short stacking energy: -137.841
Base-Backbone interact. energy: -0.013
local terms energy: -149.910425
where:
bonds (distance) C4'-P energy: -26.378
bonds (distance) P-C4' energy: -28.099
flat angles C4'-P-C4' energy: -32.311
flat angles P-C4'-P energy: -19.022
tors. eta vs tors. theta energy: -44.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -468.863008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.863008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.863008 (E_RNA)
where:
Base-Base interactions energy: -337.854
where: short stacking energy: -139.462
Base-Backbone interact. energy: -0.697
local terms energy: -140.311808
where:
bonds (distance) C4'-P energy: -22.164
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -32.136
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: -41.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -445.206445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.206445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.206445 (E_RNA)
where:
Base-Base interactions energy: -318.816
where: short stacking energy: -137.406
Base-Backbone interact. energy: -0.010
local terms energy: -136.380367
where:
bonds (distance) C4'-P energy: -19.936
bonds (distance) P-C4' energy: -29.793
flat angles C4'-P-C4' energy: -26.970
flat angles P-C4'-P energy: -17.891
tors. eta vs tors. theta energy: -41.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -341.855073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.855073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.855073 (E_RNA)
where:
Base-Base interactions energy: -226.016
where: short stacking energy: -101.853
Base-Backbone interact. energy: -0.486
local terms energy: -125.353139
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -29.719
flat angles C4'-P-C4' energy: -29.131
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -30.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -238.934323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.934323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.934323 (E_RNA)
where:
Base-Base interactions energy: -144.384
where: short stacking energy: -84.660
Base-Backbone interact. energy: -0.178
local terms energy: -104.372525
where:
bonds (distance) C4'-P energy: -20.624
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -25.133
flat angles P-C4'-P energy: -17.179
tors. eta vs tors. theta energy: -19.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -117.417306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.417306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.417306 (E_RNA)
where:
Base-Base interactions energy: -48.513
where: short stacking energy: -43.180
Base-Backbone interact. energy: 0.077
local terms energy: -78.981329
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -19.287
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: -2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -100.004930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.004930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.004930 (E_RNA)
where:
Base-Base interactions energy: -38.151
where: short stacking energy: -33.880
Base-Backbone interact. energy: 2.435
local terms energy: -74.289478
where:
bonds (distance) C4'-P energy: -23.479
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -24.624
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: 7.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -496.600659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.600659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.600659 (E_RNA)
where:
Base-Base interactions energy: -357.115
where: short stacking energy: -153.709
Base-Backbone interact. energy: -0.003
local terms energy: -149.482484
where:
bonds (distance) C4'-P energy: -28.709
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -28.917
flat angles P-C4'-P energy: -19.734
tors. eta vs tors. theta energy: -47.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -484.372262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.372262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.372262 (E_RNA)
where:
Base-Base interactions energy: -344.826
where: short stacking energy: -145.317
Base-Backbone interact. energy: -0.042
local terms energy: -149.503999
where:
bonds (distance) C4'-P energy: -25.309
bonds (distance) P-C4' energy: -27.096
flat angles C4'-P-C4' energy: -32.442
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -46.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -474.960968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.960968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.960968 (E_RNA)
where:
Base-Base interactions energy: -337.631
where: short stacking energy: -141.496
Base-Backbone interact. energy: -1.612
local terms energy: -145.718506
where:
bonds (distance) C4'-P energy: -21.505
bonds (distance) P-C4' energy: -28.080
flat angles C4'-P-C4' energy: -33.370
flat angles P-C4'-P energy: -20.459
tors. eta vs tors. theta energy: -42.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -485.445091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.445091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.445091 (E_RNA)
where:
Base-Base interactions energy: -343.396
where: short stacking energy: -157.602
Base-Backbone interact. energy: 1.058
local terms energy: -153.107033
where:
bonds (distance) C4'-P energy: -27.706
bonds (distance) P-C4' energy: -28.189
flat angles C4'-P-C4' energy: -28.836
flat angles P-C4'-P energy: -20.411
tors. eta vs tors. theta energy: -47.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -460.091006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.091006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.091006 (E_RNA)
where:
Base-Base interactions energy: -330.021
where: short stacking energy: -137.714
Base-Backbone interact. energy: 1.550
local terms energy: -141.619789
where:
bonds (distance) C4'-P energy: -27.926
bonds (distance) P-C4' energy: -23.937
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -17.804
tors. eta vs tors. theta energy: -45.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -459.866069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.866069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.866069 (E_RNA)
where:
Base-Base interactions energy: -332.868
where: short stacking energy: -130.536
Base-Backbone interact. energy: -0.080
local terms energy: -136.918017
where:
bonds (distance) C4'-P energy: -22.105
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -30.558
flat angles P-C4'-P energy: -19.026
tors. eta vs tors. theta energy: -47.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -334.371887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.371887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.371887 (E_RNA)
where:
Base-Base interactions energy: -232.048
where: short stacking energy: -100.798
Base-Backbone interact. energy: -0.586
local terms energy: -111.737920
where:
bonds (distance) C4'-P energy: -30.390
bonds (distance) P-C4' energy: -22.197
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -29.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -250.983430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.983430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.983430 (E_RNA)
where:
Base-Base interactions energy: -143.368
where: short stacking energy: -74.400
Base-Backbone interact. energy: -0.308
local terms energy: -117.307357
where:
bonds (distance) C4'-P energy: -25.700
bonds (distance) P-C4' energy: -25.368
flat angles C4'-P-C4' energy: -26.278
flat angles P-C4'-P energy: -19.120
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -124.281531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.281531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.281531 (E_RNA)
where:
Base-Base interactions energy: -43.016
where: short stacking energy: -34.508
Base-Backbone interact. energy: -0.307
local terms energy: -90.959323
where:
bonds (distance) C4'-P energy: -26.344
bonds (distance) P-C4' energy: -18.990
flat angles C4'-P-C4' energy: -24.369
flat angles P-C4'-P energy: -16.530
tors. eta vs tors. theta energy: -4.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -124.382466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.382466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.382466 (E_RNA)
where:
Base-Base interactions energy: -55.189
where: short stacking energy: -28.586
Base-Backbone interact. energy: 0.093
local terms energy: -79.286392
where:
bonds (distance) C4'-P energy: -25.219
bonds (distance) P-C4' energy: -25.906
flat angles C4'-P-C4' energy: -22.194
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: 6.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -484.743356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.743356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.743356 (E_RNA)
where:
Base-Base interactions energy: -335.345
where: short stacking energy: -140.772
Base-Backbone interact. energy: -0.019
local terms energy: -159.380059
where:
bonds (distance) C4'-P energy: -24.391
bonds (distance) P-C4' energy: -32.391
flat angles C4'-P-C4' energy: -32.120
flat angles P-C4'-P energy: -25.694
tors. eta vs tors. theta energy: -44.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -483.664257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.664257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.664257 (E_RNA)
where:
Base-Base interactions energy: -338.705
where: short stacking energy: -142.817
Base-Backbone interact. energy: -0.250
local terms energy: -154.709300
where:
bonds (distance) C4'-P energy: -25.583
bonds (distance) P-C4' energy: -31.143
flat angles C4'-P-C4' energy: -29.854
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -47.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -483.039867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.039867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.039867 (E_RNA)
where:
Base-Base interactions energy: -348.786
where: short stacking energy: -150.805
Base-Backbone interact. energy: -0.693
local terms energy: -143.561122
where:
bonds (distance) C4'-P energy: -22.805
bonds (distance) P-C4' energy: -25.510
flat angles C4'-P-C4' energy: -28.881
flat angles P-C4'-P energy: -22.311
tors. eta vs tors. theta energy: -44.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -475.577108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.577108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.577108 (E_RNA)
where:
Base-Base interactions energy: -339.077
where: short stacking energy: -150.247
Base-Backbone interact. energy: -0.987
local terms energy: -145.513022
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -26.735
flat angles C4'-P-C4' energy: -32.014
flat angles P-C4'-P energy: -18.460
tors. eta vs tors. theta energy: -44.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -465.853940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.853940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.853940 (E_RNA)
where:
Base-Base interactions energy: -333.741
where: short stacking energy: -147.498
Base-Backbone interact. energy: 0.321
local terms energy: -142.434037
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -24.076
flat angles C4'-P-C4' energy: -29.241
flat angles P-C4'-P energy: -18.837
tors. eta vs tors. theta energy: -46.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -458.142551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.142551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.142551 (E_RNA)
where:
Base-Base interactions energy: -330.271
where: short stacking energy: -137.306
Base-Backbone interact. energy: -0.031
local terms energy: -137.840867
where:
bonds (distance) C4'-P energy: -27.541
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -31.948
flat angles P-C4'-P energy: -21.376
tors. eta vs tors. theta energy: -41.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -328.393369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.393369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.393369 (E_RNA)
where:
Base-Base interactions energy: -227.501
where: short stacking energy: -105.174
Base-Backbone interact. energy: -0.060
local terms energy: -110.832321
where:
bonds (distance) C4'-P energy: -24.054
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -26.781
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -27.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -221.931569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.931569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.931569 (E_RNA)
where:
Base-Base interactions energy: -143.672
where: short stacking energy: -77.844
Base-Backbone interact. energy: 0.723
local terms energy: -88.982166
where:
bonds (distance) C4'-P energy: -25.463
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -140.013040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.013040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.013040 (E_RNA)
where:
Base-Base interactions energy: -57.509
where: short stacking energy: -31.379
Base-Backbone interact. energy: -0.460
local terms energy: -92.044474
where:
bonds (distance) C4'-P energy: -21.745
bonds (distance) P-C4' energy: -28.620
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -114.716034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.716034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.716034 (E_RNA)
where:
Base-Base interactions energy: -44.679
where: short stacking energy: -35.860
Base-Backbone interact. energy: -0.871
local terms energy: -79.166619
where:
bonds (distance) C4'-P energy: -22.577
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: 6.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -502.939991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.939991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.939991 (E_RNA)
where:
Base-Base interactions energy: -355.141
where: short stacking energy: -153.284
Base-Backbone interact. energy: -0.004
local terms energy: -157.795043
where:
bonds (distance) C4'-P energy: -27.040
bonds (distance) P-C4' energy: -29.277
flat angles C4'-P-C4' energy: -28.706
flat angles P-C4'-P energy: -25.697
tors. eta vs tors. theta energy: -47.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -490.748806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.748806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.748806 (E_RNA)
where:
Base-Base interactions energy: -352.415
where: short stacking energy: -153.030
Base-Backbone interact. energy: -0.001
local terms energy: -148.332372
where:
bonds (distance) C4'-P energy: -29.202
bonds (distance) P-C4' energy: -21.552
flat angles C4'-P-C4' energy: -30.318
flat angles P-C4'-P energy: -23.655
tors. eta vs tors. theta energy: -43.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -484.248421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.248421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.248421 (E_RNA)
where:
Base-Base interactions energy: -346.873
where: short stacking energy: -148.838
Base-Backbone interact. energy: -0.632
local terms energy: -146.743666
where:
bonds (distance) C4'-P energy: -26.621
bonds (distance) P-C4' energy: -22.924
flat angles C4'-P-C4' energy: -29.949
flat angles P-C4'-P energy: -21.974
tors. eta vs tors. theta energy: -45.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -470.960317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.960317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.960317 (E_RNA)
where:
Base-Base interactions energy: -340.397
where: short stacking energy: -142.456
Base-Backbone interact. energy: -0.010
local terms energy: -140.553854
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -28.521
flat angles C4'-P-C4' energy: -29.361
flat angles P-C4'-P energy: -18.151
tors. eta vs tors. theta energy: -45.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -476.279662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.279662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.279662 (E_RNA)
where:
Base-Base interactions energy: -347.181
where: short stacking energy: -138.409
Base-Backbone interact. energy: 0.802
local terms energy: -139.900384
where:
bonds (distance) C4'-P energy: -25.145
bonds (distance) P-C4' energy: -21.686
flat angles C4'-P-C4' energy: -26.506
flat angles P-C4'-P energy: -22.363
tors. eta vs tors. theta energy: -44.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -471.905030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.905030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.905030 (E_RNA)
where:
Base-Base interactions energy: -332.120
where: short stacking energy: -139.410
Base-Backbone interact. energy: -0.004
local terms energy: -149.781483
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -26.557
flat angles C4'-P-C4' energy: -32.460
flat angles P-C4'-P energy: -23.774
tors. eta vs tors. theta energy: -46.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -345.702877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.702877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.702877 (E_RNA)
where:
Base-Base interactions energy: -232.879
where: short stacking energy: -114.877
Base-Backbone interact. energy: -0.097
local terms energy: -122.727598
where:
bonds (distance) C4'-P energy: -25.054
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -25.784
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -32.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -210.097105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.097105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.097105 (E_RNA)
where:
Base-Base interactions energy: -127.629
where: short stacking energy: -63.564
Base-Backbone interact. energy: -0.722
local terms energy: -91.745868
where:
bonds (distance) C4'-P energy: -25.164
bonds (distance) P-C4' energy: -25.406
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -13.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -119.122468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.122468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.122468 (E_RNA)
where:
Base-Base interactions energy: -47.607
where: short stacking energy: -38.952
Base-Backbone interact. energy: -0.570
local terms energy: -80.944821
where:
bonds (distance) C4'-P energy: -18.536
bonds (distance) P-C4' energy: -27.981
flat angles C4'-P-C4' energy: -22.720
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -133.598646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.598646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.598646 (E_RNA)
where:
Base-Base interactions energy: -66.927
where: short stacking energy: -52.992
Base-Backbone interact. energy: 0.457
local terms energy: -77.129439
where:
bonds (distance) C4'-P energy: -20.382
bonds (distance) P-C4' energy: -24.507
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -2.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -498.165498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.165498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.165498 (E_RNA)
where:
Base-Base interactions energy: -352.641
where: short stacking energy: -157.953
Base-Backbone interact. energy: -0.318
local terms energy: -155.206862
where:
bonds (distance) C4'-P energy: -26.387
bonds (distance) P-C4' energy: -25.818
flat angles C4'-P-C4' energy: -33.584
flat angles P-C4'-P energy: -23.100
tors. eta vs tors. theta energy: -46.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -499.297344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.297344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.297344 (E_RNA)
where:
Base-Base interactions energy: -352.299
where: short stacking energy: -148.056
Base-Backbone interact. energy: -0.006
local terms energy: -156.991639
where:
bonds (distance) C4'-P energy: -30.178
bonds (distance) P-C4' energy: -29.564
flat angles C4'-P-C4' energy: -29.385
flat angles P-C4'-P energy: -19.742
tors. eta vs tors. theta energy: -48.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -491.654620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.654620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.654620 (E_RNA)
where:
Base-Base interactions energy: -348.976
where: short stacking energy: -151.002
Base-Backbone interact. energy: -0.003
local terms energy: -152.674962
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -29.213
flat angles C4'-P-C4' energy: -33.076
flat angles P-C4'-P energy: -20.493
tors. eta vs tors. theta energy: -47.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -477.518175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.518175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.518175 (E_RNA)
where:
Base-Base interactions energy: -338.310
where: short stacking energy: -149.153
Base-Backbone interact. energy: -0.181
local terms energy: -149.027349
where:
bonds (distance) C4'-P energy: -25.121
bonds (distance) P-C4' energy: -29.273
flat angles C4'-P-C4' energy: -30.216
flat angles P-C4'-P energy: -19.694
tors. eta vs tors. theta energy: -44.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -468.778218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.778218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.778218 (E_RNA)
where:
Base-Base interactions energy: -330.863
where: short stacking energy: -135.846
Base-Backbone interact. energy: -0.153
local terms energy: -147.762499
where:
bonds (distance) C4'-P energy: -24.622
bonds (distance) P-C4' energy: -22.753
flat angles C4'-P-C4' energy: -32.285
flat angles P-C4'-P energy: -24.354
tors. eta vs tors. theta energy: -43.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -454.096653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.096653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.096653 (E_RNA)
where:
Base-Base interactions energy: -317.442
where: short stacking energy: -126.053
Base-Backbone interact. energy: -1.049
local terms energy: -145.605795
where:
bonds (distance) C4'-P energy: -25.413
bonds (distance) P-C4' energy: -31.042
flat angles C4'-P-C4' energy: -27.891
flat angles P-C4'-P energy: -20.879
tors. eta vs tors. theta energy: -40.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -332.114565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.114565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.114565 (E_RNA)
where:
Base-Base interactions energy: -214.315
where: short stacking energy: -99.104
Base-Backbone interact. energy: -0.179
local terms energy: -127.619774
where:
bonds (distance) C4'-P energy: -27.821
bonds (distance) P-C4' energy: -30.327
flat angles C4'-P-C4' energy: -25.679
flat angles P-C4'-P energy: -17.634
tors. eta vs tors. theta energy: -26.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -183.466217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.466217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.466217 (E_RNA)
where:
Base-Base interactions energy: -102.147
where: short stacking energy: -53.751
Base-Backbone interact. energy: -1.341
local terms energy: -89.978663
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -21.147
flat angles C4'-P-C4' energy: -24.436
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -12.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -139.919004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.919004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.919004 (E_RNA)
where:
Base-Base interactions energy: -61.413
where: short stacking energy: -41.301
Base-Backbone interact. energy: -0.027
local terms energy: -88.479080
where:
bonds (distance) C4'-P energy: -24.015
bonds (distance) P-C4' energy: -25.825
flat angles C4'-P-C4' energy: -21.418
flat angles P-C4'-P energy: -12.884
tors. eta vs tors. theta energy: -4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -120.170790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.170790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.170790 (E_RNA)
where:
Base-Base interactions energy: -33.777
where: short stacking energy: -34.777
Base-Backbone interact. energy: -0.254
local terms energy: -96.139397
where:
bonds (distance) C4'-P energy: -24.507
bonds (distance) P-C4' energy: -29.291
flat angles C4'-P-C4' energy: -22.784
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -505.871490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.871490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.871490 (E_RNA)
where:
Base-Base interactions energy: -355.461
where: short stacking energy: -151.592
Base-Backbone interact. energy: -0.519
local terms energy: -159.891370
where:
bonds (distance) C4'-P energy: -26.411
bonds (distance) P-C4' energy: -31.979
flat angles C4'-P-C4' energy: -29.343
flat angles P-C4'-P energy: -25.504
tors. eta vs tors. theta energy: -46.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -485.632344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.632344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.632344 (E_RNA)
where:
Base-Base interactions energy: -342.810
where: short stacking energy: -143.992
Base-Backbone interact. energy: -0.013
local terms energy: -152.808739
where:
bonds (distance) C4'-P energy: -28.199
bonds (distance) P-C4' energy: -27.040
flat angles C4'-P-C4' energy: -28.004
flat angles P-C4'-P energy: -23.549
tors. eta vs tors. theta energy: -46.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -476.808312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.808312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.808312 (E_RNA)
where:
Base-Base interactions energy: -338.562
where: short stacking energy: -147.002
Base-Backbone interact. energy: -0.051
local terms energy: -148.195494
where:
bonds (distance) C4'-P energy: -29.330
bonds (distance) P-C4' energy: -29.205
flat angles C4'-P-C4' energy: -27.958
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -44.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -479.134652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.134652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.134652 (E_RNA)
where:
Base-Base interactions energy: -337.464
where: short stacking energy: -139.392
Base-Backbone interact. energy: -0.001
local terms energy: -151.670217
where:
bonds (distance) C4'-P energy: -25.564
bonds (distance) P-C4' energy: -30.619
flat angles C4'-P-C4' energy: -31.302
flat angles P-C4'-P energy: -20.754
tors. eta vs tors. theta energy: -43.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -456.641137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.641137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.641137 (E_RNA)
where:
Base-Base interactions energy: -324.513
where: short stacking energy: -129.916
Base-Backbone interact. energy: -0.021
local terms energy: -142.106991
where:
bonds (distance) C4'-P energy: -21.712
bonds (distance) P-C4' energy: -28.198
flat angles C4'-P-C4' energy: -27.927
flat angles P-C4'-P energy: -22.829
tors. eta vs tors. theta energy: -41.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -453.190439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.190439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.190439 (E_RNA)
where:
Base-Base interactions energy: -332.453
where: short stacking energy: -139.585
Base-Backbone interact. energy: -0.031
local terms energy: -130.706139
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -18.577
flat angles C4'-P-C4' energy: -28.499
flat angles P-C4'-P energy: -20.927
tors. eta vs tors. theta energy: -38.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -346.499918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.499918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.499918 (E_RNA)
where:
Base-Base interactions energy: -248.097
where: short stacking energy: -108.185
Base-Backbone interact. energy: -0.096
local terms energy: -108.306358
where:
bonds (distance) C4'-P energy: -19.581
bonds (distance) P-C4' energy: -29.078
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -30.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -218.298651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.298651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.298651 (E_RNA)
where:
Base-Base interactions energy: -132.215
where: short stacking energy: -65.382
Base-Backbone interact. energy: -2.168
local terms energy: -93.916019
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -28.298
flat angles P-C4'-P energy: -14.180
tors. eta vs tors. theta energy: -9.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -151.804076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.804076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.804076 (E_RNA)
where:
Base-Base interactions energy: -78.463
where: short stacking energy: -44.341
Base-Backbone interact. energy: -0.389
local terms energy: -82.951511
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -24.473
flat angles C4'-P-C4' energy: -22.902
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: 2.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -131.257042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.257042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.257042 (E_RNA)
where:
Base-Base interactions energy: -65.619
where: short stacking energy: -45.063
Base-Backbone interact. energy: 1.501
local terms energy: -77.139184
where:
bonds (distance) C4'-P energy: -20.804
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -19.089
tors. eta vs tors. theta energy: -0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -496.064486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.064486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.064486 (E_RNA)
where:
Base-Base interactions energy: -348.054
where: short stacking energy: -147.418
Base-Backbone interact. energy: -0.044
local terms energy: -157.966686
where:
bonds (distance) C4'-P energy: -28.592
bonds (distance) P-C4' energy: -31.285
flat angles C4'-P-C4' energy: -25.057
flat angles P-C4'-P energy: -25.792
tors. eta vs tors. theta energy: -47.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -487.836771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.836771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.836771 (E_RNA)
where:
Base-Base interactions energy: -352.099
where: short stacking energy: -145.214
Base-Backbone interact. energy: -0.125
local terms energy: -145.612757
where:
bonds (distance) C4'-P energy: -23.363
bonds (distance) P-C4' energy: -24.180
flat angles C4'-P-C4' energy: -29.124
flat angles P-C4'-P energy: -22.573
tors. eta vs tors. theta energy: -46.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -484.254999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.254999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.254999 (E_RNA)
where:
Base-Base interactions energy: -349.104
where: short stacking energy: -140.874
Base-Backbone interact. energy: -0.002
local terms energy: -145.149104
where:
bonds (distance) C4'-P energy: -21.870
bonds (distance) P-C4' energy: -23.488
flat angles C4'-P-C4' energy: -32.935
flat angles P-C4'-P energy: -23.225
tors. eta vs tors. theta energy: -43.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -474.449003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.449003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.449003 (E_RNA)
where:
Base-Base interactions energy: -341.932
where: short stacking energy: -144.478
Base-Backbone interact. energy: -0.610
local terms energy: -141.906148
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -24.212
flat angles C4'-P-C4' energy: -30.647
flat angles P-C4'-P energy: -24.494
tors. eta vs tors. theta energy: -42.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -462.546970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.546970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.546970 (E_RNA)
where:
Base-Base interactions energy: -337.954
where: short stacking energy: -143.128
Base-Backbone interact. energy: -0.030
local terms energy: -134.562859
where:
bonds (distance) C4'-P energy: -18.471
bonds (distance) P-C4' energy: -23.380
flat angles C4'-P-C4' energy: -29.607
flat angles P-C4'-P energy: -18.434
tors. eta vs tors. theta energy: -44.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -456.004107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.004107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.004107 (E_RNA)
where:
Base-Base interactions energy: -322.246
where: short stacking energy: -128.377
Base-Backbone interact. energy: 0.715
local terms energy: -144.474015
where:
bonds (distance) C4'-P energy: -26.168
bonds (distance) P-C4' energy: -29.482
flat angles C4'-P-C4' energy: -28.494
flat angles P-C4'-P energy: -19.130
tors. eta vs tors. theta energy: -41.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -349.864403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.864403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.864403 (E_RNA)
where:
Base-Base interactions energy: -236.349
where: short stacking energy: -103.412
Base-Backbone interact. energy: -1.058
local terms energy: -122.457733
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -25.711
flat angles C4'-P-C4' energy: -28.935
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: -27.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -215.408495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.408495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.408495 (E_RNA)
where:
Base-Base interactions energy: -129.929
where: short stacking energy: -60.494
Base-Backbone interact. energy: -0.598
local terms energy: -94.881474
where:
bonds (distance) C4'-P energy: -22.219
bonds (distance) P-C4' energy: -24.741
flat angles C4'-P-C4' energy: -26.191
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -12.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -201.148278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.148278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.148278 (E_RNA)
where:
Base-Base interactions energy: -115.538
where: short stacking energy: -71.983
Base-Backbone interact. energy: -0.968
local terms energy: -94.642715
where:
bonds (distance) C4'-P energy: -22.350
bonds (distance) P-C4' energy: -19.934
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -14.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -103.834552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.834552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.834552 (E_RNA)
where:
Base-Base interactions energy: -38.655
where: short stacking energy: -33.458
Base-Backbone interact. energy: -0.189
local terms energy: -74.991049
where:
bonds (distance) C4'-P energy: -24.133
bonds (distance) P-C4' energy: -19.744
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -496.087266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.087266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.087266 (E_RNA)
where:
Base-Base interactions energy: -357.163
where: short stacking energy: -155.374
Base-Backbone interact. energy: 0.650
local terms energy: -149.574258
where:
bonds (distance) C4'-P energy: -25.539
bonds (distance) P-C4' energy: -29.779
flat angles C4'-P-C4' energy: -30.700
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -44.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -499.410221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.410221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.410221 (E_RNA)
where:
Base-Base interactions energy: -358.929
where: short stacking energy: -156.552
Base-Backbone interact. energy: -0.164
local terms energy: -150.317167
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -31.572
flat angles C4'-P-C4' energy: -28.269
flat angles P-C4'-P energy: -20.928
tors. eta vs tors. theta energy: -45.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -493.463764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.463764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.463764 (E_RNA)
where:
Base-Base interactions energy: -347.928
where: short stacking energy: -146.026
Base-Backbone interact. energy: -0.791
local terms energy: -154.744490
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -30.034
flat angles C4'-P-C4' energy: -34.654
flat angles P-C4'-P energy: -24.539
tors. eta vs tors. theta energy: -47.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -470.759658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.759658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.759658 (E_RNA)
where:
Base-Base interactions energy: -335.613
where: short stacking energy: -136.576
Base-Backbone interact. energy: -0.107
local terms energy: -145.039577
where:
bonds (distance) C4'-P energy: -27.613
bonds (distance) P-C4' energy: -26.323
flat angles C4'-P-C4' energy: -26.412
flat angles P-C4'-P energy: -19.512
tors. eta vs tors. theta energy: -45.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -477.125533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.125533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.125533 (E_RNA)
where:
Base-Base interactions energy: -344.590
where: short stacking energy: -151.870
Base-Backbone interact. energy: -0.829
local terms energy: -141.706958
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -30.629
flat angles P-C4'-P energy: -21.229
tors. eta vs tors. theta energy: -44.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -456.726019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.726019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.726019 (E_RNA)
where:
Base-Base interactions energy: -336.220
where: short stacking energy: -141.022
Base-Backbone interact. energy: -0.175
local terms energy: -130.330954
where:
bonds (distance) C4'-P energy: -18.414
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -26.039
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: -45.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -342.026760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.026760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.026760 (E_RNA)
where:
Base-Base interactions energy: -240.067
where: short stacking energy: -103.361
Base-Backbone interact. energy: -0.429
local terms energy: -111.530098
where:
bonds (distance) C4'-P energy: -24.456
bonds (distance) P-C4' energy: -21.403
flat angles C4'-P-C4' energy: -23.843
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -26.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -234.292774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.292774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.292774 (E_RNA)
where:
Base-Base interactions energy: -141.173
where: short stacking energy: -71.490
Base-Backbone interact. energy: -0.451
local terms energy: -102.667891
where:
bonds (distance) C4'-P energy: -23.856
bonds (distance) P-C4' energy: -26.265
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -21.746
tors. eta vs tors. theta energy: -16.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -169.399893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.399893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.399893 (E_RNA)
where:
Base-Base interactions energy: -73.711
where: short stacking energy: -45.517
Base-Backbone interact. energy: -0.507
local terms energy: -105.181168
where:
bonds (distance) C4'-P energy: -29.251
bonds (distance) P-C4' energy: -24.377
flat angles C4'-P-C4' energy: -27.807
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -8.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -114.041265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.041265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.041265 (E_RNA)
where:
Base-Base interactions energy: -41.136
where: short stacking energy: -41.136
Base-Backbone interact. energy: 0.290
local terms energy: -83.194898
where:
bonds (distance) C4'-P energy: -29.066
bonds (distance) P-C4' energy: -24.528
flat angles C4'-P-C4' energy: -22.302
flat angles P-C4'-P energy: -5.651
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -495.626494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.626494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.626494 (E_RNA)
where:
Base-Base interactions energy: -349.812
where: short stacking energy: -148.650
Base-Backbone interact. energy: -0.001
local terms energy: -155.813056
where:
bonds (distance) C4'-P energy: -27.900
bonds (distance) P-C4' energy: -30.531
flat angles C4'-P-C4' energy: -30.303
flat angles P-C4'-P energy: -20.210
tors. eta vs tors. theta energy: -46.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -494.148050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.148050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.148050 (E_RNA)
where:
Base-Base interactions energy: -348.395
where: short stacking energy: -144.616
Base-Backbone interact. energy: -0.280
local terms energy: -155.472363
where:
bonds (distance) C4'-P energy: -26.888
bonds (distance) P-C4' energy: -28.174
flat angles C4'-P-C4' energy: -30.863
flat angles P-C4'-P energy: -23.107
tors. eta vs tors. theta energy: -46.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -487.320891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.320891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.320891 (E_RNA)
where:
Base-Base interactions energy: -339.430
where: short stacking energy: -145.109
Base-Backbone interact. energy: -0.620
local terms energy: -157.271147
where:
bonds (distance) C4'-P energy: -25.860
bonds (distance) P-C4' energy: -30.432
flat angles C4'-P-C4' energy: -30.412
flat angles P-C4'-P energy: -24.399
tors. eta vs tors. theta energy: -46.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -473.416884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.416884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.416884 (E_RNA)
where:
Base-Base interactions energy: -337.854
where: short stacking energy: -143.952
Base-Backbone interact. energy: -1.095
local terms energy: -144.467545
where:
bonds (distance) C4'-P energy: -23.245
bonds (distance) P-C4' energy: -25.010
flat angles C4'-P-C4' energy: -29.724
flat angles P-C4'-P energy: -22.847
tors. eta vs tors. theta energy: -43.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -466.801356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.801356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.801356 (E_RNA)
where:
Base-Base interactions energy: -341.313
where: short stacking energy: -134.568
Base-Backbone interact. energy: -0.234
local terms energy: -135.253648
where:
bonds (distance) C4'-P energy: -23.107
bonds (distance) P-C4' energy: -24.510
flat angles C4'-P-C4' energy: -27.470
flat angles P-C4'-P energy: -20.521
tors. eta vs tors. theta energy: -39.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -462.589115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.589115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.589115 (E_RNA)
where:
Base-Base interactions energy: -330.687
where: short stacking energy: -140.058
Base-Backbone interact. energy: -0.387
local terms energy: -141.515278
where:
bonds (distance) C4'-P energy: -22.794
bonds (distance) P-C4' energy: -23.699
flat angles C4'-P-C4' energy: -28.476
flat angles P-C4'-P energy: -23.293
tors. eta vs tors. theta energy: -43.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -350.080447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.080447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.080447 (E_RNA)
where:
Base-Base interactions energy: -235.912
where: short stacking energy: -107.641
Base-Backbone interact. energy: -0.071
local terms energy: -124.097878
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -29.663
flat angles C4'-P-C4' energy: -23.788
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: -31.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -201.611558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.611558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.611558 (E_RNA)
where:
Base-Base interactions energy: -119.271
where: short stacking energy: -59.276
Base-Backbone interact. energy: 1.163
local terms energy: -93.503467
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -27.759
flat angles C4'-P-C4' energy: -26.674
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -7.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -125.702026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.702026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.702026 (E_RNA)
where:
Base-Base interactions energy: -49.400
where: short stacking energy: -38.851
Base-Backbone interact. energy: 4.699
local terms energy: -91.000655
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -26.125
flat angles C4'-P-C4' energy: -21.443
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -10.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -121.030691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.030691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.030691 (E_RNA)
where:
Base-Base interactions energy: -47.732
where: short stacking energy: -30.721
Base-Backbone interact. energy: -0.277
local terms energy: -83.021542
where:
bonds (distance) C4'-P energy: -26.038
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -22.914
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -2.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -493.800788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.800788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.800788 (E_RNA)
where:
Base-Base interactions energy: -353.609
where: short stacking energy: -145.897
Base-Backbone interact. energy: -0.217
local terms energy: -149.974375
where:
bonds (distance) C4'-P energy: -29.905
bonds (distance) P-C4' energy: -26.254
flat angles C4'-P-C4' energy: -25.760
flat angles P-C4'-P energy: -21.605
tors. eta vs tors. theta energy: -46.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -484.268750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.268750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.268750 (E_RNA)
where:
Base-Base interactions energy: -351.925
where: short stacking energy: -146.124
Base-Backbone interact. energy: 0.256
local terms energy: -142.599143
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -22.389
flat angles C4'-P-C4' energy: -28.326
flat angles P-C4'-P energy: -22.494
tors. eta vs tors. theta energy: -46.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -486.781481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.781481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.781481 (E_RNA)
where:
Base-Base interactions energy: -350.789
where: short stacking energy: -141.106
Base-Backbone interact. energy: -0.161
local terms energy: -145.830884
where:
bonds (distance) C4'-P energy: -25.392
bonds (distance) P-C4' energy: -23.639
flat angles C4'-P-C4' energy: -31.123
flat angles P-C4'-P energy: -19.783
tors. eta vs tors. theta energy: -45.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -471.095076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.095076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.095076 (E_RNA)
where:
Base-Base interactions energy: -335.246
where: short stacking energy: -146.371
Base-Backbone interact. energy: -0.032
local terms energy: -145.816695
where:
bonds (distance) C4'-P energy: -24.887
bonds (distance) P-C4' energy: -27.714
flat angles C4'-P-C4' energy: -28.686
flat angles P-C4'-P energy: -19.527
tors. eta vs tors. theta energy: -45.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -467.413170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.413170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.413170 (E_RNA)
where:
Base-Base interactions energy: -335.398
where: short stacking energy: -136.833
Base-Backbone interact. energy: -0.807
local terms energy: -141.208152
where:
bonds (distance) C4'-P energy: -26.266
bonds (distance) P-C4' energy: -23.887
flat angles C4'-P-C4' energy: -31.568
flat angles P-C4'-P energy: -17.846
tors. eta vs tors. theta energy: -41.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -456.361444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.361444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.361444 (E_RNA)
where:
Base-Base interactions energy: -323.839
where: short stacking energy: -133.821
Base-Backbone interact. energy: -0.126
local terms energy: -142.396264
where:
bonds (distance) C4'-P energy: -28.829
bonds (distance) P-C4' energy: -26.192
flat angles C4'-P-C4' energy: -29.198
flat angles P-C4'-P energy: -19.369
tors. eta vs tors. theta energy: -38.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -327.782129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.782129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.782129 (E_RNA)
where:
Base-Base interactions energy: -224.768
where: short stacking energy: -109.784
Base-Backbone interact. energy: 0.565
local terms energy: -113.579071
where:
bonds (distance) C4'-P energy: -22.004
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -28.022
flat angles P-C4'-P energy: -16.792
tors. eta vs tors. theta energy: -28.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -208.814950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.814950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.814950 (E_RNA)
where:
Base-Base interactions energy: -128.120
where: short stacking energy: -65.858
Base-Backbone interact. energy: -0.763
local terms energy: -89.932019
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -22.598
flat angles C4'-P-C4' energy: -23.051
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -9.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -127.771935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.771935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.771935 (E_RNA)
where:
Base-Base interactions energy: -60.607
where: short stacking energy: -35.138
Base-Backbone interact. energy: -0.634
local terms energy: -76.531565
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -28.842
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: 1.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -119.394738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.394738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.394738 (E_RNA)
where:
Base-Base interactions energy: -51.342
where: short stacking energy: -50.103
Base-Backbone interact. energy: -0.858
local terms energy: -77.194396
where:
bonds (distance) C4'-P energy: -24.688
bonds (distance) P-C4' energy: -27.322
flat angles C4'-P-C4' energy: -20.683
flat angles P-C4'-P energy: -3.684
tors. eta vs tors. theta energy: -0.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -500.233406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.233406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.233406 (E_RNA)
where:
Base-Base interactions energy: -350.671
where: short stacking energy: -153.089
Base-Backbone interact. energy: -0.027
local terms energy: -159.535196
where:
bonds (distance) C4'-P energy: -28.353
bonds (distance) P-C4' energy: -28.612
flat angles C4'-P-C4' energy: -29.895
flat angles P-C4'-P energy: -27.251
tors. eta vs tors. theta energy: -45.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -497.082599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.082599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.082599 (E_RNA)
where:
Base-Base interactions energy: -359.850
where: short stacking energy: -153.881
Base-Backbone interact. energy: -0.581
local terms energy: -146.651351
where:
bonds (distance) C4'-P energy: -22.055
bonds (distance) P-C4' energy: -25.222
flat angles C4'-P-C4' energy: -30.037
flat angles P-C4'-P energy: -23.750
tors. eta vs tors. theta energy: -45.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -488.961031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.961031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.961031 (E_RNA)
where:
Base-Base interactions energy: -354.901
where: short stacking energy: -140.705
Base-Backbone interact. energy: -0.214
local terms energy: -143.845332
where:
bonds (distance) C4'-P energy: -26.741
bonds (distance) P-C4' energy: -28.459
flat angles C4'-P-C4' energy: -27.310
flat angles P-C4'-P energy: -16.995
tors. eta vs tors. theta energy: -44.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -471.795375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.795375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.795375 (E_RNA)
where:
Base-Base interactions energy: -340.270
where: short stacking energy: -138.990
Base-Backbone interact. energy: -0.035
local terms energy: -141.490009
where:
bonds (distance) C4'-P energy: -26.302
bonds (distance) P-C4' energy: -23.147
flat angles C4'-P-C4' energy: -28.012
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -44.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -465.330273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.330273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.330273 (E_RNA)
where:
Base-Base interactions energy: -336.276
where: short stacking energy: -134.287
Base-Backbone interact. energy: -0.145
local terms energy: -138.908981
where:
bonds (distance) C4'-P energy: -26.287
bonds (distance) P-C4' energy: -25.074
flat angles C4'-P-C4' energy: -25.140
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -42.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -458.498872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.498872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.498872 (E_RNA)
where:
Base-Base interactions energy: -335.637
where: short stacking energy: -135.761
Base-Backbone interact. energy: -0.652
local terms energy: -132.209596
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -21.503
flat angles C4'-P-C4' energy: -27.163
flat angles P-C4'-P energy: -21.076
tors. eta vs tors. theta energy: -44.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -335.633541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.633541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.633541 (E_RNA)
where:
Base-Base interactions energy: -231.350
where: short stacking energy: -108.701
Base-Backbone interact. energy: 0.510
local terms energy: -114.793625
where:
bonds (distance) C4'-P energy: -21.705
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -22.886
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -34.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -203.909396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.909396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.909396 (E_RNA)
where:
Base-Base interactions energy: -108.900
where: short stacking energy: -63.199
Base-Backbone interact. energy: -0.517
local terms energy: -104.491956
where:
bonds (distance) C4'-P energy: -25.885
bonds (distance) P-C4' energy: -26.450
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -14.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -133.447161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.447161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.447161 (E_RNA)
where:
Base-Base interactions energy: -59.879
where: short stacking energy: -57.324
Base-Backbone interact. energy: -0.412
local terms energy: -83.157054
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -28.139
flat angles C4'-P-C4' energy: -26.775
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: 1.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -143.625915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.625915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.625915 (E_RNA)
where:
Base-Base interactions energy: -68.252
where: short stacking energy: -45.607
Base-Backbone interact. energy: 0.403
local terms energy: -85.777251
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -29.442
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -496.361417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.361417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.361417 (E_RNA)
where:
Base-Base interactions energy: -354.934
where: short stacking energy: -146.717
Base-Backbone interact. energy: -0.091
local terms energy: -151.336417
where:
bonds (distance) C4'-P energy: -26.417
bonds (distance) P-C4' energy: -27.354
flat angles C4'-P-C4' energy: -31.053
flat angles P-C4'-P energy: -22.624
tors. eta vs tors. theta energy: -43.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -486.713894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.713894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.713894 (E_RNA)
where:
Base-Base interactions energy: -355.271
where: short stacking energy: -133.094
Base-Backbone interact. energy: -0.093
local terms energy: -141.349924
where:
bonds (distance) C4'-P energy: -29.971
bonds (distance) P-C4' energy: -26.356
flat angles C4'-P-C4' energy: -25.144
flat angles P-C4'-P energy: -20.641
tors. eta vs tors. theta energy: -39.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -471.039717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.039717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.039717 (E_RNA)
where:
Base-Base interactions energy: -326.198
where: short stacking energy: -145.601
Base-Backbone interact. energy: -0.007
local terms energy: -154.834166
where:
bonds (distance) C4'-P energy: -29.095
bonds (distance) P-C4' energy: -28.241
flat angles C4'-P-C4' energy: -29.324
flat angles P-C4'-P energy: -25.474
tors. eta vs tors. theta energy: -42.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -478.998234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.998234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.998234 (E_RNA)
where:
Base-Base interactions energy: -342.089
where: short stacking energy: -144.522
Base-Backbone interact. energy: -0.213
local terms energy: -146.695793
where:
bonds (distance) C4'-P energy: -24.714
bonds (distance) P-C4' energy: -26.924
flat angles C4'-P-C4' energy: -28.149
flat angles P-C4'-P energy: -21.900
tors. eta vs tors. theta energy: -45.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -464.983363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.983363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.983363 (E_RNA)
where:
Base-Base interactions energy: -349.553
where: short stacking energy: -148.472
Base-Backbone interact. energy: -0.017
local terms energy: -125.414070
where:
bonds (distance) C4'-P energy: -18.802
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -26.611
flat angles P-C4'-P energy: -21.037
tors. eta vs tors. theta energy: -42.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -455.520628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.520628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.520628 (E_RNA)
where:
Base-Base interactions energy: -328.233
where: short stacking energy: -133.720
Base-Backbone interact. energy: -0.621
local terms energy: -136.665884
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -27.297
flat angles C4'-P-C4' energy: -26.736
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -43.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -340.897575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.897575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.897575 (E_RNA)
where:
Base-Base interactions energy: -223.144
where: short stacking energy: -104.455
Base-Backbone interact. energy: -0.110
local terms energy: -127.643383
where:
bonds (distance) C4'-P energy: -32.099
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -28.664
flat angles P-C4'-P energy: -17.668
tors. eta vs tors. theta energy: -28.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -217.276441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.276441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.276441 (E_RNA)
where:
Base-Base interactions energy: -134.684
where: short stacking energy: -87.753
Base-Backbone interact. energy: 0.047
local terms energy: -92.639852
where:
bonds (distance) C4'-P energy: -20.980
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -26.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -122.086309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.086309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.086309 (E_RNA)
where:
Base-Base interactions energy: -49.892
where: short stacking energy: -49.428
Base-Backbone interact. energy: -0.202
local terms energy: -81.992797
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -27.761
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -15.513
tors. eta vs tors. theta energy: -6.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -133.570465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.570465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.570465 (E_RNA)
where:
Base-Base interactions energy: -56.860
where: short stacking energy: -33.714
Base-Backbone interact. energy: 0.663
local terms energy: -87.372880
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -28.344
flat angles C4'-P-C4' energy: -23.632
flat angles P-C4'-P energy: -19.673
tors. eta vs tors. theta energy: 6.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -495.368331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.368331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.368331 (E_RNA)
where:
Base-Base interactions energy: -356.687
where: short stacking energy: -137.421
Base-Backbone interact. energy: -0.055
local terms energy: -148.625972
where:
bonds (distance) C4'-P energy: -28.083
bonds (distance) P-C4' energy: -30.607
flat angles C4'-P-C4' energy: -31.270
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -42.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -485.110479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.110479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.110479 (E_RNA)
where:
Base-Base interactions energy: -346.970
where: short stacking energy: -144.704
Base-Backbone interact. energy: -0.159
local terms energy: -147.981566
where:
bonds (distance) C4'-P energy: -27.348
bonds (distance) P-C4' energy: -24.353
flat angles C4'-P-C4' energy: -32.284
flat angles P-C4'-P energy: -21.087
tors. eta vs tors. theta energy: -42.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -482.594464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.594464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.594464 (E_RNA)
where:
Base-Base interactions energy: -345.845
where: short stacking energy: -147.217
Base-Backbone interact. energy: -0.281
local terms energy: -146.468904
where:
bonds (distance) C4'-P energy: -19.593
bonds (distance) P-C4' energy: -25.604
flat angles C4'-P-C4' energy: -29.177
flat angles P-C4'-P energy: -25.293
tors. eta vs tors. theta energy: -46.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -469.353688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.353688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.353688 (E_RNA)
where:
Base-Base interactions energy: -329.819
where: short stacking energy: -134.795
Base-Backbone interact. energy: -0.020
local terms energy: -149.515239
where:
bonds (distance) C4'-P energy: -25.771
bonds (distance) P-C4' energy: -30.185
flat angles C4'-P-C4' energy: -25.771
flat angles P-C4'-P energy: -24.254
tors. eta vs tors. theta energy: -43.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -468.530953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.530953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.530953 (E_RNA)
where:
Base-Base interactions energy: -344.254
where: short stacking energy: -142.311
Base-Backbone interact. energy: 0.537
local terms energy: -134.813351
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -27.533
flat angles C4'-P-C4' energy: -26.336
flat angles P-C4'-P energy: -20.710
tors. eta vs tors. theta energy: -44.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -458.683344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.683344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.683344 (E_RNA)
where:
Base-Base interactions energy: -325.234
where: short stacking energy: -134.618
Base-Backbone interact. energy: -0.954
local terms energy: -142.495558
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -27.950
flat angles P-C4'-P energy: -25.104
tors. eta vs tors. theta energy: -41.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -348.781895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.781895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.781895 (E_RNA)
where:
Base-Base interactions energy: -240.191
where: short stacking energy: -119.974
Base-Backbone interact. energy: -0.094
local terms energy: -118.496384
where:
bonds (distance) C4'-P energy: -29.347
bonds (distance) P-C4' energy: -10.059
flat angles C4'-P-C4' energy: -28.137
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -36.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -216.775711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.775711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.775711 (E_RNA)
where:
Base-Base interactions energy: -144.329
where: short stacking energy: -56.906
Base-Backbone interact. energy: -0.381
local terms energy: -82.065575
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -23.788
flat angles C4'-P-C4' energy: -22.788
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -11.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -154.665016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.665016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.665016 (E_RNA)
where:
Base-Base interactions energy: -79.603
where: short stacking energy: -66.909
Base-Backbone interact. energy: 0.374
local terms energy: -85.435883
where:
bonds (distance) C4'-P energy: -21.144
bonds (distance) P-C4' energy: -28.637
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -6.812
tors. eta vs tors. theta energy: -11.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -116.132663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.132663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.132663 (E_RNA)
where:
Base-Base interactions energy: -51.795
where: short stacking energy: -45.755
Base-Backbone interact. energy: -0.197
local terms energy: -74.140394
where:
bonds (distance) C4'-P energy: -22.590
bonds (distance) P-C4' energy: -24.860
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: 0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -500.862359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.862359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.862359 (E_RNA)
where:
Base-Base interactions energy: -360.891
where: short stacking energy: -146.676
Base-Backbone interact. energy: -0.004
local terms energy: -149.967401
where:
bonds (distance) C4'-P energy: -27.734
bonds (distance) P-C4' energy: -28.864
flat angles C4'-P-C4' energy: -29.725
flat angles P-C4'-P energy: -21.714
tors. eta vs tors. theta energy: -41.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -487.759728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.759728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.759728 (E_RNA)
where:
Base-Base interactions energy: -340.302
where: short stacking energy: -142.387
Base-Backbone interact. energy: -0.602
local terms energy: -156.856238
where:
bonds (distance) C4'-P energy: -32.095
bonds (distance) P-C4' energy: -29.730
flat angles C4'-P-C4' energy: -30.932
flat angles P-C4'-P energy: -18.411
tors. eta vs tors. theta energy: -45.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -480.116952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.116952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.116952 (E_RNA)
where:
Base-Base interactions energy: -353.832
where: short stacking energy: -150.778
Base-Backbone interact. energy: -0.678
local terms energy: -135.606275
where:
bonds (distance) C4'-P energy: -22.888
bonds (distance) P-C4' energy: -21.410
flat angles C4'-P-C4' energy: -24.949
flat angles P-C4'-P energy: -21.833
tors. eta vs tors. theta energy: -44.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -466.868789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.868789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.868789 (E_RNA)
where:
Base-Base interactions energy: -326.861
where: short stacking energy: -128.973
Base-Backbone interact. energy: 0.767
local terms energy: -150.774923
where:
bonds (distance) C4'-P energy: -27.566
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -27.588
flat angles P-C4'-P energy: -23.096
tors. eta vs tors. theta energy: -40.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -455.298450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.298450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.298450 (E_RNA)
where:
Base-Base interactions energy: -317.207
where: short stacking energy: -131.261
Base-Backbone interact. energy: -0.051
local terms energy: -148.040624
where:
bonds (distance) C4'-P energy: -24.084
bonds (distance) P-C4' energy: -26.525
flat angles C4'-P-C4' energy: -29.837
flat angles P-C4'-P energy: -23.577
tors. eta vs tors. theta energy: -44.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -449.638703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.638703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.638703 (E_RNA)
where:
Base-Base interactions energy: -334.458
where: short stacking energy: -141.614
Base-Backbone interact. energy: -0.195
local terms energy: -124.986226
where:
bonds (distance) C4'-P energy: -20.759
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -25.030
flat angles P-C4'-P energy: -20.570
tors. eta vs tors. theta energy: -41.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -331.168866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.168866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.168866 (E_RNA)
where:
Base-Base interactions energy: -223.069
where: short stacking energy: -98.757
Base-Backbone interact. energy: 0.402
local terms energy: -118.501890
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -30.049
flat angles C4'-P-C4' energy: -27.337
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -25.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -238.864222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.864222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.864222 (E_RNA)
where:
Base-Base interactions energy: -143.532
where: short stacking energy: -70.791
Base-Backbone interact. energy: -0.038
local terms energy: -105.294013
where:
bonds (distance) C4'-P energy: -23.784
bonds (distance) P-C4' energy: -21.461
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -19.145
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -115.206829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.206829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.206829 (E_RNA)
where:
Base-Base interactions energy: -57.693
where: short stacking energy: -46.286
Base-Backbone interact. energy: -0.998
local terms energy: -66.515947
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -11.106
flat angles C4'-P-C4' energy: -23.162
flat angles P-C4'-P energy: -15.442
tors. eta vs tors. theta energy: 0.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -115.104787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.104787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.104787 (E_RNA)
where:
Base-Base interactions energy: -43.817
where: short stacking energy: -43.069
Base-Backbone interact. energy: -0.520
local terms energy: -80.767642
where:
bonds (distance) C4'-P energy: -24.110
bonds (distance) P-C4' energy: -27.229
flat angles C4'-P-C4' energy: -21.299
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: 2.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -482.317509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.317509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.317509 (E_RNA)
where:
Base-Base interactions energy: -351.026
where: short stacking energy: -147.732
Base-Backbone interact. energy: -0.327
local terms energy: -140.964034
where:
bonds (distance) C4'-P energy: -26.023
bonds (distance) P-C4' energy: -23.478
flat angles C4'-P-C4' energy: -29.163
flat angles P-C4'-P energy: -23.896
tors. eta vs tors. theta energy: -38.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -489.917405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.917405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.917405 (E_RNA)
where:
Base-Base interactions energy: -342.979
where: short stacking energy: -145.533
Base-Backbone interact. energy: -0.001
local terms energy: -156.937753
where:
bonds (distance) C4'-P energy: -33.853
bonds (distance) P-C4' energy: -27.561
flat angles C4'-P-C4' energy: -29.669
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -44.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -475.465042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.465042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.465042 (E_RNA)
where:
Base-Base interactions energy: -350.860
where: short stacking energy: -147.757
Base-Backbone interact. energy: -0.269
local terms energy: -134.336270
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -28.920
flat angles P-C4'-P energy: -20.385
tors. eta vs tors. theta energy: -46.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -473.127195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.127195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.127195 (E_RNA)
where:
Base-Base interactions energy: -344.045
where: short stacking energy: -141.963
Base-Backbone interact. energy: -0.164
local terms energy: -138.918070
where:
bonds (distance) C4'-P energy: -24.096
bonds (distance) P-C4' energy: -29.368
flat angles C4'-P-C4' energy: -26.781
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -39.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -464.131282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.131282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.131282 (E_RNA)
where:
Base-Base interactions energy: -331.147
where: short stacking energy: -134.623
Base-Backbone interact. energy: -0.364
local terms energy: -142.620118
where:
bonds (distance) C4'-P energy: -23.305
bonds (distance) P-C4' energy: -27.449
flat angles C4'-P-C4' energy: -28.456
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -41.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -461.205151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.205151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.205151 (E_RNA)
where:
Base-Base interactions energy: -326.096
where: short stacking energy: -140.831
Base-Backbone interact. energy: -0.017
local terms energy: -145.091570
where:
bonds (distance) C4'-P energy: -25.970
bonds (distance) P-C4' energy: -24.148
flat angles C4'-P-C4' energy: -30.845
flat angles P-C4'-P energy: -25.114
tors. eta vs tors. theta energy: -39.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -332.903176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.903176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.903176 (E_RNA)
where:
Base-Base interactions energy: -237.598
where: short stacking energy: -113.622
Base-Backbone interact. energy: 3.293
local terms energy: -108.597514
where:
bonds (distance) C4'-P energy: -19.057
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -24.872
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -30.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -229.907843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.907843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.907843 (E_RNA)
where:
Base-Base interactions energy: -142.501
where: short stacking energy: -70.356
Base-Backbone interact. energy: 2.510
local terms energy: -99.917605
where:
bonds (distance) C4'-P energy: -24.349
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -22.703
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -19.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -123.936381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.936381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.936381 (E_RNA)
where:
Base-Base interactions energy: -47.173
where: short stacking energy: -47.673
Base-Backbone interact. energy: -0.865
local terms energy: -85.897794
where:
bonds (distance) C4'-P energy: -22.050
bonds (distance) P-C4' energy: -26.536
flat angles C4'-P-C4' energy: -21.913
flat angles P-C4'-P energy: -14.618
tors. eta vs tors. theta energy: -0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -109.027432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.027432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.027432 (E_RNA)
where:
Base-Base interactions energy: -38.563
where: short stacking energy: -28.117
Base-Backbone interact. energy: -1.830
local terms energy: -78.634397
where:
bonds (distance) C4'-P energy: -17.850
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -22.230
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -3.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -487.985167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.985167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.985167 (E_RNA)
where:
Base-Base interactions energy: -342.391
where: short stacking energy: -147.539
Base-Backbone interact. energy: 0.177
local terms energy: -155.770962
where:
bonds (distance) C4'-P energy: -28.600
bonds (distance) P-C4' energy: -33.254
flat angles C4'-P-C4' energy: -28.090
flat angles P-C4'-P energy: -23.428
tors. eta vs tors. theta energy: -42.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -491.905991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.905991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.905991 (E_RNA)
where:
Base-Base interactions energy: -351.329
where: short stacking energy: -152.190
Base-Backbone interact. energy: -0.912
local terms energy: -149.664998
where:
bonds (distance) C4'-P energy: -28.112
bonds (distance) P-C4' energy: -21.548
flat angles C4'-P-C4' energy: -33.868
flat angles P-C4'-P energy: -20.565
tors. eta vs tors. theta energy: -45.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -485.582785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.582785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.582785 (E_RNA)
where:
Base-Base interactions energy: -345.903
where: short stacking energy: -148.993
Base-Backbone interact. energy: -0.106
local terms energy: -149.574108
where:
bonds (distance) C4'-P energy: -29.150
bonds (distance) P-C4' energy: -28.993
flat angles C4'-P-C4' energy: -30.822
flat angles P-C4'-P energy: -18.116
tors. eta vs tors. theta energy: -42.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -472.798209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.798209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.798209 (E_RNA)
where:
Base-Base interactions energy: -338.670
where: short stacking energy: -149.279
Base-Backbone interact. energy: 1.452
local terms energy: -145.579563
where:
bonds (distance) C4'-P energy: -24.080
bonds (distance) P-C4' energy: -23.248
flat angles C4'-P-C4' energy: -30.623
flat angles P-C4'-P energy: -20.416
tors. eta vs tors. theta energy: -47.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -470.736146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.736146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.736146 (E_RNA)
where:
Base-Base interactions energy: -336.461
where: short stacking energy: -140.648
Base-Backbone interact. energy: -0.224
local terms energy: -144.051488
where:
bonds (distance) C4'-P energy: -24.934
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -32.121
flat angles P-C4'-P energy: -17.252
tors. eta vs tors. theta energy: -46.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -463.370240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.370240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.370240 (E_RNA)
where:
Base-Base interactions energy: -336.775
where: short stacking energy: -145.768
Base-Backbone interact. energy: -0.027
local terms energy: -136.568198
where:
bonds (distance) C4'-P energy: -21.236
bonds (distance) P-C4' energy: -23.591
flat angles C4'-P-C4' energy: -29.078
flat angles P-C4'-P energy: -20.578
tors. eta vs tors. theta energy: -42.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -363.723148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.723148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.723148 (E_RNA)
where:
Base-Base interactions energy: -250.650
where: short stacking energy: -116.613
Base-Backbone interact. energy: -0.084
local terms energy: -122.989334
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -27.101
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -20.359
tors. eta vs tors. theta energy: -33.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -249.095316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.095316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.095316 (E_RNA)
where:
Base-Base interactions energy: -148.571
where: short stacking energy: -80.495
Base-Backbone interact. energy: -0.070
local terms energy: -110.454345
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -24.496
flat angles C4'-P-C4' energy: -27.947
flat angles P-C4'-P energy: -16.061
tors. eta vs tors. theta energy: -21.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -106.115888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.115888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.115888 (E_RNA)
where:
Base-Base interactions energy: -34.052
where: short stacking energy: -29.158
Base-Backbone interact. energy: 0.670
local terms energy: -82.733858
where:
bonds (distance) C4'-P energy: -22.465
bonds (distance) P-C4' energy: -28.102
flat angles C4'-P-C4' energy: -22.019
flat angles P-C4'-P energy: -14.298
tors. eta vs tors. theta energy: 4.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -105.070998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.070998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.070998 (E_RNA)
where:
Base-Base interactions energy: -29.815
where: short stacking energy: -29.815
Base-Backbone interact. energy: -0.054
local terms energy: -85.202298
where:
bonds (distance) C4'-P energy: -23.404
bonds (distance) P-C4' energy: -25.697
flat angles C4'-P-C4' energy: -22.426
flat angles P-C4'-P energy: -15.555
tors. eta vs tors. theta energy: 1.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -494.547817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.547817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.547817 (E_RNA)
where:
Base-Base interactions energy: -351.846
where: short stacking energy: -153.842
Base-Backbone interact. energy: -0.031
local terms energy: -152.670131
where:
bonds (distance) C4'-P energy: -27.590
bonds (distance) P-C4' energy: -24.004
flat angles C4'-P-C4' energy: -33.436
flat angles P-C4'-P energy: -19.725
tors. eta vs tors. theta energy: -47.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -495.515962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.515962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.515962 (E_RNA)
where:
Base-Base interactions energy: -352.251
where: short stacking energy: -150.422
Base-Backbone interact. energy: -0.085
local terms energy: -153.179214
where:
bonds (distance) C4'-P energy: -25.480
bonds (distance) P-C4' energy: -32.337
flat angles C4'-P-C4' energy: -31.832
flat angles P-C4'-P energy: -18.468
tors. eta vs tors. theta energy: -45.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -484.111226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.111226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.111226 (E_RNA)
where:
Base-Base interactions energy: -345.482
where: short stacking energy: -149.168
Base-Backbone interact. energy: -0.880
local terms energy: -147.748584
where:
bonds (distance) C4'-P energy: -22.735
bonds (distance) P-C4' energy: -25.025
flat angles C4'-P-C4' energy: -32.073
flat angles P-C4'-P energy: -22.856
tors. eta vs tors. theta energy: -45.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -479.571084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.571084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.571084 (E_RNA)
where:
Base-Base interactions energy: -339.595
where: short stacking energy: -143.512
Base-Backbone interact. energy: -0.686
local terms energy: -149.289805
where:
bonds (distance) C4'-P energy: -30.021
bonds (distance) P-C4' energy: -22.299
flat angles C4'-P-C4' energy: -28.919
flat angles P-C4'-P energy: -24.662
tors. eta vs tors. theta energy: -43.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -473.253707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.253707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.253707 (E_RNA)
where:
Base-Base interactions energy: -348.874
where: short stacking energy: -143.862
Base-Backbone interact. energy: 0.111
local terms energy: -134.490162
where:
bonds (distance) C4'-P energy: -24.905
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -28.997
flat angles P-C4'-P energy: -20.238
tors. eta vs tors. theta energy: -42.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -442.510721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.510721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.510721 (E_RNA)
where:
Base-Base interactions energy: -322.249
where: short stacking energy: -129.072
Base-Backbone interact. energy: -0.435
local terms energy: -129.827075
where:
bonds (distance) C4'-P energy: -25.094
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -29.424
flat angles P-C4'-P energy: -21.007
tors. eta vs tors. theta energy: -37.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -348.155602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.155602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.155602 (E_RNA)
where:
Base-Base interactions energy: -245.388
where: short stacking energy: -114.795
Base-Backbone interact. energy: -0.015
local terms energy: -112.752247
where:
bonds (distance) C4'-P energy: -25.201
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -32.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -220.430459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.430459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.430459 (E_RNA)
where:
Base-Base interactions energy: -127.807
where: short stacking energy: -64.094
Base-Backbone interact. energy: -0.217
local terms energy: -102.406520
where:
bonds (distance) C4'-P energy: -23.504
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -23.197
flat angles P-C4'-P energy: -15.751
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -168.958748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.958748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.958748 (E_RNA)
where:
Base-Base interactions energy: -97.029
where: short stacking energy: -49.872
Base-Backbone interact. energy: -1.077
local terms energy: -80.852298
where:
bonds (distance) C4'-P energy: -19.646
bonds (distance) P-C4' energy: -26.935
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -119.665455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.665455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.665455 (E_RNA)
where:
Base-Base interactions energy: -50.399
where: short stacking energy: -35.929
Base-Backbone interact. energy: 1.499
local terms energy: -80.765277
where:
bonds (distance) C4'-P energy: -24.147
bonds (distance) P-C4' energy: -24.567
flat angles C4'-P-C4' energy: -21.459
flat angles P-C4'-P energy: -16.238
tors. eta vs tors. theta energy: 5.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -499.014308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.014308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.014308 (E_RNA)
where:
Base-Base interactions energy: -364.408
where: short stacking energy: -151.310
Base-Backbone interact. energy: -0.299
local terms energy: -144.307291
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -30.654
flat angles C4'-P-C4' energy: -26.820
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -45.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -480.010076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.010076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.010076 (E_RNA)
where:
Base-Base interactions energy: -345.985
where: short stacking energy: -144.961
Base-Backbone interact. energy: -0.097
local terms energy: -143.927468
where:
bonds (distance) C4'-P energy: -22.080
bonds (distance) P-C4' energy: -25.144
flat angles C4'-P-C4' energy: -31.946
flat angles P-C4'-P energy: -21.692
tors. eta vs tors. theta energy: -43.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -486.231612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.231612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.231612 (E_RNA)
where:
Base-Base interactions energy: -346.619
where: short stacking energy: -148.101
Base-Backbone interact. energy: -0.676
local terms energy: -148.935717
where:
bonds (distance) C4'-P energy: -28.434
bonds (distance) P-C4' energy: -24.912
flat angles C4'-P-C4' energy: -28.593
flat angles P-C4'-P energy: -20.430
tors. eta vs tors. theta energy: -46.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -480.050731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.050731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.050731 (E_RNA)
where:
Base-Base interactions energy: -345.052
where: short stacking energy: -147.862
Base-Backbone interact. energy: -0.311
local terms energy: -144.687915
where:
bonds (distance) C4'-P energy: -26.099
bonds (distance) P-C4' energy: -23.162
flat angles C4'-P-C4' energy: -28.630
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -45.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -476.330307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.330307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.330307 (E_RNA)
where:
Base-Base interactions energy: -330.586
where: short stacking energy: -136.807
Base-Backbone interact. energy: -0.074
local terms energy: -155.669755
where:
bonds (distance) C4'-P energy: -29.497
bonds (distance) P-C4' energy: -27.910
flat angles C4'-P-C4' energy: -29.677
flat angles P-C4'-P energy: -23.721
tors. eta vs tors. theta energy: -44.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -456.722677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.722677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.722677 (E_RNA)
where:
Base-Base interactions energy: -334.617
where: short stacking energy: -129.577
Base-Backbone interact. energy: -0.073
local terms energy: -132.032828
where:
bonds (distance) C4'-P energy: -25.667
bonds (distance) P-C4' energy: -26.175
flat angles C4'-P-C4' energy: -23.377
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -37.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -355.877663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.877663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.877663 (E_RNA)
where:
Base-Base interactions energy: -241.753
where: short stacking energy: -110.718
Base-Backbone interact. energy: 0.024
local terms energy: -124.149371
where:
bonds (distance) C4'-P energy: -24.912
bonds (distance) P-C4' energy: -20.983
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -19.423
tors. eta vs tors. theta energy: -32.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -206.793028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.793028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.793028 (E_RNA)
where:
Base-Base interactions energy: -116.981
where: short stacking energy: -72.317
Base-Backbone interact. energy: -0.267
local terms energy: -99.544836
where:
bonds (distance) C4'-P energy: -26.390
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -27.200
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -11.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -146.424790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.424790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.424790 (E_RNA)
where:
Base-Base interactions energy: -76.963
where: short stacking energy: -49.166
Base-Backbone interact. energy: -0.295
local terms energy: -79.166739
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -24.706
flat angles C4'-P-C4' energy: -22.912
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: 2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -126.818594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.818594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.818594 (E_RNA)
where:
Base-Base interactions energy: -56.291
where: short stacking energy: -29.893
Base-Backbone interact. energy: -0.224
local terms energy: -80.302953
where:
bonds (distance) C4'-P energy: -24.741
bonds (distance) P-C4' energy: -23.860
flat angles C4'-P-C4' energy: -19.904
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: 0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -507.298696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.298696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.298696 (E_RNA)
where:
Base-Base interactions energy: -368.370
where: short stacking energy: -147.370
Base-Backbone interact. energy: -0.162
local terms energy: -148.766613
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -29.233
flat angles C4'-P-C4' energy: -31.765
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -46.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -501.670707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.670707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.670707 (E_RNA)
where:
Base-Base interactions energy: -358.249
where: short stacking energy: -148.229
Base-Backbone interact. energy: -0.017
local terms energy: -153.405273
where:
bonds (distance) C4'-P energy: -28.964
bonds (distance) P-C4' energy: -29.104
flat angles C4'-P-C4' energy: -30.380
flat angles P-C4'-P energy: -19.268
tors. eta vs tors. theta energy: -45.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -484.907974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.907974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.907974 (E_RNA)
where:
Base-Base interactions energy: -338.080
where: short stacking energy: -138.147
Base-Backbone interact. energy: -0.004
local terms energy: -156.823931
where:
bonds (distance) C4'-P energy: -26.930
bonds (distance) P-C4' energy: -27.495
flat angles C4'-P-C4' energy: -29.732
flat angles P-C4'-P energy: -25.799
tors. eta vs tors. theta energy: -46.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -472.887474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.887474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.887474 (E_RNA)
where:
Base-Base interactions energy: -334.841
where: short stacking energy: -149.755
Base-Backbone interact. energy: -0.291
local terms energy: -147.755259
where:
bonds (distance) C4'-P energy: -20.805
bonds (distance) P-C4' energy: -26.520
flat angles C4'-P-C4' energy: -32.631
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -44.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -454.291200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.291200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.291200 (E_RNA)
where:
Base-Base interactions energy: -321.294
where: short stacking energy: -135.840
Base-Backbone interact. energy: -0.698
local terms energy: -142.298983
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -32.335
flat angles C4'-P-C4' energy: -31.312
flat angles P-C4'-P energy: -20.314
tors. eta vs tors. theta energy: -38.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -456.185577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.185577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.185577 (E_RNA)
where:
Base-Base interactions energy: -325.520
where: short stacking energy: -140.606
Base-Backbone interact. energy: -0.006
local terms energy: -140.659589
where:
bonds (distance) C4'-P energy: -20.907
bonds (distance) P-C4' energy: -28.502
flat angles C4'-P-C4' energy: -28.895
flat angles P-C4'-P energy: -17.425
tors. eta vs tors. theta energy: -44.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -370.128111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.128111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.128111 (E_RNA)
where:
Base-Base interactions energy: -274.328
where: short stacking energy: -118.818
Base-Backbone interact. energy: -0.264
local terms energy: -105.536902
where:
bonds (distance) C4'-P energy: -23.891
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -13.346
tors. eta vs tors. theta energy: -28.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -198.652655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.652655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.652655 (E_RNA)
where:
Base-Base interactions energy: -117.878
where: short stacking energy: -74.360
Base-Backbone interact. energy: -0.298
local terms energy: -90.476942
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -24.203
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -121.222379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.222379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.222379 (E_RNA)
where:
Base-Base interactions energy: -51.466
where: short stacking energy: -43.069
Base-Backbone interact. energy: -0.133
local terms energy: -79.623172
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -27.543
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -17.762
tors. eta vs tors. theta energy: 1.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -115.934751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.934751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.934751 (E_RNA)
where:
Base-Base interactions energy: -35.018
where: short stacking energy: -34.365
Base-Backbone interact. energy: -0.297
local terms energy: -90.619558
where:
bonds (distance) C4'-P energy: -26.027
bonds (distance) P-C4' energy: -27.949
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -17.168
tors. eta vs tors. theta energy: -0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -496.925531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.925531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.925531 (E_RNA)
where:
Base-Base interactions energy: -356.603
where: short stacking energy: -146.639
Base-Backbone interact. energy: -0.279
local terms energy: -150.043606
where:
bonds (distance) C4'-P energy: -27.413
bonds (distance) P-C4' energy: -26.019
flat angles C4'-P-C4' energy: -28.725
flat angles P-C4'-P energy: -23.480
tors. eta vs tors. theta energy: -44.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -485.778051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.778051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.778051 (E_RNA)
where:
Base-Base interactions energy: -351.427
where: short stacking energy: -152.355
Base-Backbone interact. energy: -0.021
local terms energy: -144.330056
where:
bonds (distance) C4'-P energy: -24.645
bonds (distance) P-C4' energy: -25.600
flat angles C4'-P-C4' energy: -29.784
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -45.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -493.663143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.663143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.663143 (E_RNA)
where:
Base-Base interactions energy: -349.683
where: short stacking energy: -151.427
Base-Backbone interact. energy: -0.090
local terms energy: -153.890876
where:
bonds (distance) C4'-P energy: -28.581
bonds (distance) P-C4' energy: -29.324
flat angles C4'-P-C4' energy: -26.716
flat angles P-C4'-P energy: -21.102
tors. eta vs tors. theta energy: -48.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -473.275930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.275930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.275930 (E_RNA)
where:
Base-Base interactions energy: -336.488
where: short stacking energy: -137.301
Base-Backbone interact. energy: -0.159
local terms energy: -146.628078
where:
bonds (distance) C4'-P energy: -22.752
bonds (distance) P-C4' energy: -30.978
flat angles C4'-P-C4' energy: -28.289
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -42.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -471.804960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.804960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.804960 (E_RNA)
where:
Base-Base interactions energy: -338.477
where: short stacking energy: -121.010
Base-Backbone interact. energy: -0.653
local terms energy: -142.674981
where:
bonds (distance) C4'-P energy: -23.714
bonds (distance) P-C4' energy: -31.687
flat angles C4'-P-C4' energy: -28.978
flat angles P-C4'-P energy: -19.368
tors. eta vs tors. theta energy: -38.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -443.370898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.370898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.370898 (E_RNA)
where:
Base-Base interactions energy: -321.216
where: short stacking energy: -146.891
Base-Backbone interact. energy: -0.002
local terms energy: -132.153079
where:
bonds (distance) C4'-P energy: -21.775
bonds (distance) P-C4' energy: -26.544
flat angles C4'-P-C4' energy: -28.504
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -41.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -382.285905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.285905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.285905 (E_RNA)
where:
Base-Base interactions energy: -270.831
where: short stacking energy: -117.128
Base-Backbone interact. energy: -0.252
local terms energy: -121.203095
where:
bonds (distance) C4'-P energy: -24.630
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -24.992
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -33.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -198.180948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.180948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.180948 (E_RNA)
where:
Base-Base interactions energy: -103.116
where: short stacking energy: -70.676
Base-Backbone interact. energy: -0.990
local terms energy: -104.075637
where:
bonds (distance) C4'-P energy: -25.554
bonds (distance) P-C4' energy: -27.440
flat angles C4'-P-C4' energy: -23.101
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -15.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -123.196576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.196576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.196576 (E_RNA)
where:
Base-Base interactions energy: -46.467
where: short stacking energy: -35.333
Base-Backbone interact. energy: -0.399
local terms energy: -86.330971
where:
bonds (distance) C4'-P energy: -18.475
bonds (distance) P-C4' energy: -26.811
flat angles C4'-P-C4' energy: -28.599
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: 3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -128.580736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.580736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.580736 (E_RNA)
where:
Base-Base interactions energy: -54.724
where: short stacking energy: -43.592
Base-Backbone interact. energy: -0.205
local terms energy: -83.652073
where:
bonds (distance) C4'-P energy: -21.815
bonds (distance) P-C4' energy: -24.229
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -8.307
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -494.684106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.684106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.684106 (E_RNA)
where:
Base-Base interactions energy: -344.678
where: short stacking energy: -151.773
Base-Backbone interact. energy: -0.637
local terms energy: -159.369495
where:
bonds (distance) C4'-P energy: -25.604
bonds (distance) P-C4' energy: -31.042
flat angles C4'-P-C4' energy: -32.171
flat angles P-C4'-P energy: -21.717
tors. eta vs tors. theta energy: -48.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -483.710295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.710295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.710295 (E_RNA)
where:
Base-Base interactions energy: -344.591
where: short stacking energy: -148.922
Base-Backbone interact. energy: -0.778
local terms energy: -148.341013
where:
bonds (distance) C4'-P energy: -26.067
bonds (distance) P-C4' energy: -28.560
flat angles C4'-P-C4' energy: -31.117
flat angles P-C4'-P energy: -19.844
tors. eta vs tors. theta energy: -42.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -464.104880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.104880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.104880 (E_RNA)
where:
Base-Base interactions energy: -333.932
where: short stacking energy: -136.210
Base-Backbone interact. energy: -0.139
local terms energy: -140.033918
where:
bonds (distance) C4'-P energy: -24.612
bonds (distance) P-C4' energy: -28.750
flat angles C4'-P-C4' energy: -29.124
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -40.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -482.485892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.485892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.485892 (E_RNA)
where:
Base-Base interactions energy: -345.323
where: short stacking energy: -142.188
Base-Backbone interact. energy: -0.174
local terms energy: -146.988768
where:
bonds (distance) C4'-P energy: -26.991
bonds (distance) P-C4' energy: -23.959
flat angles C4'-P-C4' energy: -30.194
flat angles P-C4'-P energy: -21.459
tors. eta vs tors. theta energy: -44.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -471.529314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.529314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.529314 (E_RNA)
where:
Base-Base interactions energy: -335.902
where: short stacking energy: -143.752
Base-Backbone interact. energy: -0.016
local terms energy: -145.611332
where:
bonds (distance) C4'-P energy: -26.493
bonds (distance) P-C4' energy: -21.582
flat angles C4'-P-C4' energy: -27.616
flat angles P-C4'-P energy: -24.395
tors. eta vs tors. theta energy: -45.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -450.199781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.199781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.199781 (E_RNA)
where:
Base-Base interactions energy: -324.344
where: short stacking energy: -140.696
Base-Backbone interact. energy: -0.081
local terms energy: -135.775317
where:
bonds (distance) C4'-P energy: -23.112
bonds (distance) P-C4' energy: -22.586
flat angles C4'-P-C4' energy: -30.099
flat angles P-C4'-P energy: -19.050
tors. eta vs tors. theta energy: -40.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -416.006109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.006109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.006109 (E_RNA)
where:
Base-Base interactions energy: -301.879
where: short stacking energy: -122.705
Base-Backbone interact. energy: -0.174
local terms energy: -123.952532
where:
bonds (distance) C4'-P energy: -24.896
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -23.810
flat angles P-C4'-P energy: -16.598
tors. eta vs tors. theta energy: -33.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -211.605363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.605363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.605363 (E_RNA)
where:
Base-Base interactions energy: -134.020
where: short stacking energy: -71.786
Base-Backbone interact. energy: -0.733
local terms energy: -86.851758
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -21.792
flat angles C4'-P-C4' energy: -25.742
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -14.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -135.153966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.153966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.153966 (E_RNA)
where:
Base-Base interactions energy: -65.762
where: short stacking energy: -57.714
Base-Backbone interact. energy: -0.096
local terms energy: -79.295467
where:
bonds (distance) C4'-P energy: -25.035
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -3.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -121.412932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.412932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.412932 (E_RNA)
where:
Base-Base interactions energy: -51.084
where: short stacking energy: -50.636
Base-Backbone interact. energy: -0.171
local terms energy: -80.158117
where:
bonds (distance) C4'-P energy: -19.750
bonds (distance) P-C4' energy: -25.303
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -4.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -494.337266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.337266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.337266 (E_RNA)
where:
Base-Base interactions energy: -346.785
where: short stacking energy: -149.127
Base-Backbone interact. energy: -0.735
local terms energy: -156.817291
where:
bonds (distance) C4'-P energy: -29.460
bonds (distance) P-C4' energy: -27.268
flat angles C4'-P-C4' energy: -29.103
flat angles P-C4'-P energy: -22.794
tors. eta vs tors. theta energy: -48.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -488.369701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.369701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.369701 (E_RNA)
where:
Base-Base interactions energy: -344.094
where: short stacking energy: -149.846
Base-Backbone interact. energy: -0.108
local terms energy: -154.167763
where:
bonds (distance) C4'-P energy: -28.672
bonds (distance) P-C4' energy: -25.771
flat angles C4'-P-C4' energy: -29.824
flat angles P-C4'-P energy: -23.099
tors. eta vs tors. theta energy: -46.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -471.802507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.802507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.802507 (E_RNA)
where:
Base-Base interactions energy: -336.586
where: short stacking energy: -147.630
Base-Backbone interact. energy: -0.019
local terms energy: -145.196574
where:
bonds (distance) C4'-P energy: -27.418
bonds (distance) P-C4' energy: -29.627
flat angles C4'-P-C4' energy: -29.481
flat angles P-C4'-P energy: -18.454
tors. eta vs tors. theta energy: -40.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -473.067753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.067753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.067753 (E_RNA)
where:
Base-Base interactions energy: -333.826
where: short stacking energy: -147.404
Base-Backbone interact. energy: -0.095
local terms energy: -149.147058
where:
bonds (distance) C4'-P energy: -22.999
bonds (distance) P-C4' energy: -28.614
flat angles C4'-P-C4' energy: -27.650
flat angles P-C4'-P energy: -26.114
tors. eta vs tors. theta energy: -43.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -468.251297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.251297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.251297 (E_RNA)
where:
Base-Base interactions energy: -327.825
where: short stacking energy: -140.171
Base-Backbone interact. energy: -1.414
local terms energy: -149.012393
where:
bonds (distance) C4'-P energy: -25.020
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -31.567
flat angles P-C4'-P energy: -23.134
tors. eta vs tors. theta energy: -45.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -440.278330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.278330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.278330 (E_RNA)
where:
Base-Base interactions energy: -328.072
where: short stacking energy: -135.663
Base-Backbone interact. energy: -0.545
local terms energy: -121.660940
where:
bonds (distance) C4'-P energy: -17.462
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -28.539
flat angles P-C4'-P energy: -20.419
tors. eta vs tors. theta energy: -38.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -417.596204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.596204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.596204 (E_RNA)
where:
Base-Base interactions energy: -302.707
where: short stacking energy: -117.481
Base-Backbone interact. energy: -0.338
local terms energy: -124.551360
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -27.812
flat angles P-C4'-P energy: -16.340
tors. eta vs tors. theta energy: -37.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -236.721203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.721203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.721203 (E_RNA)
where:
Base-Base interactions energy: -147.144
where: short stacking energy: -82.011
Base-Backbone interact. energy: 0.648
local terms energy: -100.224870
where:
bonds (distance) C4'-P energy: -24.647
bonds (distance) P-C4' energy: -22.567
flat angles C4'-P-C4' energy: -24.475
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -133.636091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.636091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.636091 (E_RNA)
where:
Base-Base interactions energy: -66.318
where: short stacking energy: -57.684
Base-Backbone interact. energy: -0.586
local terms energy: -76.732377
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -25.879
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: 1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -121.073246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.073246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.073246 (E_RNA)
where:
Base-Base interactions energy: -56.789
where: short stacking energy: -42.269
Base-Backbone interact. energy: -0.364
local terms energy: -73.921095
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -19.092
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -0.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -491.090278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.090278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.090278 (E_RNA)
where:
Base-Base interactions energy: -348.763
where: short stacking energy: -149.532
Base-Backbone interact. energy: -0.133
local terms energy: -152.193676
where:
bonds (distance) C4'-P energy: -27.765
bonds (distance) P-C4' energy: -32.470
flat angles C4'-P-C4' energy: -30.897
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -44.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -497.159657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.159657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.159657 (E_RNA)
where:
Base-Base interactions energy: -351.556
where: short stacking energy: -156.164
Base-Backbone interact. energy: -0.007
local terms energy: -155.597519
where:
bonds (distance) C4'-P energy: -24.042
bonds (distance) P-C4' energy: -27.989
flat angles C4'-P-C4' energy: -34.885
flat angles P-C4'-P energy: -21.077
tors. eta vs tors. theta energy: -47.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -474.786287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.786287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.786287 (E_RNA)
where:
Base-Base interactions energy: -335.392
where: short stacking energy: -138.496
Base-Backbone interact. energy: -0.373
local terms energy: -149.020695
where:
bonds (distance) C4'-P energy: -23.559
bonds (distance) P-C4' energy: -27.505
flat angles C4'-P-C4' energy: -31.112
flat angles P-C4'-P energy: -24.367
tors. eta vs tors. theta energy: -42.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -466.914095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.914095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.914095 (E_RNA)
where:
Base-Base interactions energy: -336.617
where: short stacking energy: -142.954
Base-Backbone interact. energy: -0.154
local terms energy: -140.143090
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -25.754
flat angles C4'-P-C4' energy: -29.887
flat angles P-C4'-P energy: -22.000
tors. eta vs tors. theta energy: -38.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -460.773046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.773046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.773046 (E_RNA)
where:
Base-Base interactions energy: -336.725
where: short stacking energy: -135.024
Base-Backbone interact. energy: -0.352
local terms energy: -133.696198
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -28.161
flat angles C4'-P-C4' energy: -26.917
flat angles P-C4'-P energy: -18.416
tors. eta vs tors. theta energy: -40.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -438.693741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.693741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.693741 (E_RNA)
where:
Base-Base interactions energy: -314.587
where: short stacking energy: -141.548
Base-Backbone interact. energy: -0.576
local terms energy: -133.530202
where:
bonds (distance) C4'-P energy: -28.046
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -26.884
flat angles P-C4'-P energy: -15.736
tors. eta vs tors. theta energy: -40.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -412.719146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.719146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.719146 (E_RNA)
where:
Base-Base interactions energy: -285.693
where: short stacking energy: -124.863
Base-Backbone interact. energy: -0.429
local terms energy: -136.596706
where:
bonds (distance) C4'-P energy: -24.475
bonds (distance) P-C4' energy: -27.635
flat angles C4'-P-C4' energy: -27.464
flat angles P-C4'-P energy: -19.182
tors. eta vs tors. theta energy: -37.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -223.483053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.483053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.483053 (E_RNA)
where:
Base-Base interactions energy: -133.177
where: short stacking energy: -75.113
Base-Backbone interact. energy: 2.825
local terms energy: -103.130917
where:
bonds (distance) C4'-P energy: -28.283
bonds (distance) P-C4' energy: -21.354
flat angles C4'-P-C4' energy: -25.279
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -134.865256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.865256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.865256 (E_RNA)
where:
Base-Base interactions energy: -40.303
where: short stacking energy: -40.303
Base-Backbone interact. energy: -0.289
local terms energy: -104.273110
where:
bonds (distance) C4'-P energy: -27.654
bonds (distance) P-C4' energy: -30.446
flat angles C4'-P-C4' energy: -23.637
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -9.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -104.671280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.671280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.671280 (E_RNA)
where:
Base-Base interactions energy: -36.640
where: short stacking energy: -32.037
Base-Backbone interact. energy: 0.356
local terms energy: -78.386642
where:
bonds (distance) C4'-P energy: -22.406
bonds (distance) P-C4' energy: -29.490
flat angles C4'-P-C4' energy: -26.672
flat angles P-C4'-P energy: -3.325
tors. eta vs tors. theta energy: 3.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -494.480522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.480522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.480522 (E_RNA)
where:
Base-Base interactions energy: -353.275
where: short stacking energy: -138.121
Base-Backbone interact. energy: -0.005
local terms energy: -151.200087
where:
bonds (distance) C4'-P energy: -22.908
bonds (distance) P-C4' energy: -28.118
flat angles C4'-P-C4' energy: -33.602
flat angles P-C4'-P energy: -24.918
tors. eta vs tors. theta energy: -41.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -495.115212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.115212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.115212 (E_RNA)
where:
Base-Base interactions energy: -348.197
where: short stacking energy: -146.833
Base-Backbone interact. energy: -0.012
local terms energy: -156.905534
where:
bonds (distance) C4'-P energy: -24.596
bonds (distance) P-C4' energy: -33.970
flat angles C4'-P-C4' energy: -29.048
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -46.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -476.594887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.594887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.594887 (E_RNA)
where:
Base-Base interactions energy: -345.933
where: short stacking energy: -147.350
Base-Backbone interact. energy: -0.158
local terms energy: -140.504025
where:
bonds (distance) C4'-P energy: -21.655
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -28.084
flat angles P-C4'-P energy: -19.582
tors. eta vs tors. theta energy: -45.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -475.562137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.562137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.562137 (E_RNA)
where:
Base-Base interactions energy: -349.057
where: short stacking energy: -147.331
Base-Backbone interact. energy: -0.023
local terms energy: -136.482020
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -26.452
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -17.598
tors. eta vs tors. theta energy: -44.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -447.930161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.930161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.930161 (E_RNA)
where:
Base-Base interactions energy: -322.554
where: short stacking energy: -140.246
Base-Backbone interact. energy: 0.408
local terms energy: -135.784155
where:
bonds (distance) C4'-P energy: -22.079
bonds (distance) P-C4' energy: -26.240
flat angles C4'-P-C4' energy: -24.739
flat angles P-C4'-P energy: -20.155
tors. eta vs tors. theta energy: -42.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -443.268976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.268976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.268976 (E_RNA)
where:
Base-Base interactions energy: -323.069
where: short stacking energy: -128.481
Base-Backbone interact. energy: -0.728
local terms energy: -129.471308
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -29.333
flat angles C4'-P-C4' energy: -26.286
flat angles P-C4'-P energy: -19.452
tors. eta vs tors. theta energy: -39.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -444.044426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.044426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.044426 (E_RNA)
where:
Base-Base interactions energy: -312.201
where: short stacking energy: -125.643
Base-Backbone interact. energy: -0.075
local terms energy: -141.768494
where:
bonds (distance) C4'-P energy: -26.796
bonds (distance) P-C4' energy: -32.001
flat angles C4'-P-C4' energy: -26.096
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: -36.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -215.945330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.945330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.945330 (E_RNA)
where:
Base-Base interactions energy: -122.907
where: short stacking energy: -64.188
Base-Backbone interact. energy: -0.343
local terms energy: -102.695710
where:
bonds (distance) C4'-P energy: -26.930
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -24.177
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -118.362037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.362037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.362037 (E_RNA)
where:
Base-Base interactions energy: -46.005
where: short stacking energy: -38.426
Base-Backbone interact. energy: 0.956
local terms energy: -83.313742
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -25.714
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -111.218227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.218227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.218227 (E_RNA)
where:
Base-Base interactions energy: -41.547
where: short stacking energy: -38.049
Base-Backbone interact. energy: -0.372
local terms energy: -79.299264
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -20.751
flat angles C4'-P-C4' energy: -21.653
flat angles P-C4'-P energy: -14.552
tors. eta vs tors. theta energy: -5.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -491.841247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.841247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.841247 (E_RNA)
where:
Base-Base interactions energy: -348.133
where: short stacking energy: -141.386
Base-Backbone interact. energy: -0.752
local terms energy: -152.956143
where:
bonds (distance) C4'-P energy: -24.830
bonds (distance) P-C4' energy: -30.768
flat angles C4'-P-C4' energy: -31.162
flat angles P-C4'-P energy: -23.544
tors. eta vs tors. theta energy: -42.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -487.052604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.052604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.052604 (E_RNA)
where:
Base-Base interactions energy: -353.417
where: short stacking energy: -150.983
Base-Backbone interact. energy: -0.496
local terms energy: -143.140403
where:
bonds (distance) C4'-P energy: -22.631
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -30.328
flat angles P-C4'-P energy: -21.663
tors. eta vs tors. theta energy: -44.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -486.190819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.190819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.190819 (E_RNA)
where:
Base-Base interactions energy: -346.398
where: short stacking energy: -148.294
Base-Backbone interact. energy: -0.004
local terms energy: -149.788943
where:
bonds (distance) C4'-P energy: -26.274
bonds (distance) P-C4' energy: -28.043
flat angles C4'-P-C4' energy: -33.023
flat angles P-C4'-P energy: -19.977
tors. eta vs tors. theta energy: -42.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -477.212620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.212620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.212620 (E_RNA)
where:
Base-Base interactions energy: -351.578
where: short stacking energy: -145.964
Base-Backbone interact. energy: -0.000
local terms energy: -135.633969
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -23.658
flat angles C4'-P-C4' energy: -30.207
flat angles P-C4'-P energy: -17.119
tors. eta vs tors. theta energy: -43.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -458.980516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.980516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.980516 (E_RNA)
where:
Base-Base interactions energy: -332.200
where: short stacking energy: -141.255
Base-Backbone interact. energy: 0.754
local terms energy: -137.534462
where:
bonds (distance) C4'-P energy: -20.836
bonds (distance) P-C4' energy: -26.870
flat angles C4'-P-C4' energy: -24.109
flat angles P-C4'-P energy: -23.805
tors. eta vs tors. theta energy: -41.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -433.604424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.604424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.604424 (E_RNA)
where:
Base-Base interactions energy: -315.798
where: short stacking energy: -130.917
Base-Backbone interact. energy: -0.072
local terms energy: -127.734618
where:
bonds (distance) C4'-P energy: -25.123
bonds (distance) P-C4' energy: -25.740
flat angles C4'-P-C4' energy: -26.293
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -35.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -449.995009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.995009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.995009 (E_RNA)
where:
Base-Base interactions energy: -324.794
where: short stacking energy: -128.841
Base-Backbone interact. energy: -0.191
local terms energy: -135.010269
where:
bonds (distance) C4'-P energy: -24.479
bonds (distance) P-C4' energy: -26.088
flat angles C4'-P-C4' energy: -23.142
flat angles P-C4'-P energy: -19.462
tors. eta vs tors. theta energy: -41.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -213.391119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.391119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.391119 (E_RNA)
where:
Base-Base interactions energy: -122.956
where: short stacking energy: -68.729
Base-Backbone interact. energy: -0.136
local terms energy: -100.299294
where:
bonds (distance) C4'-P energy: -23.208
bonds (distance) P-C4' energy: -21.704
flat angles C4'-P-C4' energy: -24.120
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -16.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -140.707094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.707094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.707094 (E_RNA)
where:
Base-Base interactions energy: -60.418
where: short stacking energy: -55.727
Base-Backbone interact. energy: -0.049
local terms energy: -90.239528
where:
bonds (distance) C4'-P energy: -21.897
bonds (distance) P-C4' energy: -21.771
flat angles C4'-P-C4' energy: -23.738
flat angles P-C4'-P energy: -17.388
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -118.197415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.197415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.197415 (E_RNA)
where:
Base-Base interactions energy: -48.188
where: short stacking energy: -41.346
Base-Backbone interact. energy: -0.373
local terms energy: -79.636933
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -21.844
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -5.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -497.353022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.353022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.353022 (E_RNA)
where:
Base-Base interactions energy: -349.816
where: short stacking energy: -144.741
Base-Backbone interact. energy: -0.507
local terms energy: -157.029414
where:
bonds (distance) C4'-P energy: -28.816
bonds (distance) P-C4' energy: -26.496
flat angles C4'-P-C4' energy: -32.332
flat angles P-C4'-P energy: -23.697
tors. eta vs tors. theta energy: -45.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -488.488221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.488221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.488221 (E_RNA)
where:
Base-Base interactions energy: -350.895
where: short stacking energy: -150.328
Base-Backbone interact. energy: -0.010
local terms energy: -147.583731
where:
bonds (distance) C4'-P energy: -20.702
bonds (distance) P-C4' energy: -27.389
flat angles C4'-P-C4' energy: -34.050
flat angles P-C4'-P energy: -23.948
tors. eta vs tors. theta energy: -41.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -479.305977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.305977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.305977 (E_RNA)
where:
Base-Base interactions energy: -349.897
where: short stacking energy: -144.590
Base-Backbone interact. energy: -0.004
local terms energy: -139.405254
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -27.892
flat angles C4'-P-C4' energy: -26.704
flat angles P-C4'-P energy: -19.042
tors. eta vs tors. theta energy: -43.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -463.848544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.848544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.848544 (E_RNA)
where:
Base-Base interactions energy: -325.708
where: short stacking energy: -136.338
Base-Backbone interact. energy: 0.180
local terms energy: -148.320471
where:
bonds (distance) C4'-P energy: -29.889
bonds (distance) P-C4' energy: -26.352
flat angles C4'-P-C4' energy: -27.561
flat angles P-C4'-P energy: -21.771
tors. eta vs tors. theta energy: -42.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -462.054812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.054812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.054812 (E_RNA)
where:
Base-Base interactions energy: -332.654
where: short stacking energy: -132.536
Base-Backbone interact. energy: 0.566
local terms energy: -139.967119
where:
bonds (distance) C4'-P energy: -27.405
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -29.193
flat angles P-C4'-P energy: -22.422
tors. eta vs tors. theta energy: -42.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -459.421535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.421535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.421535 (E_RNA)
where:
Base-Base interactions energy: -330.246
where: short stacking energy: -140.685
Base-Backbone interact. energy: -0.317
local terms energy: -138.859398
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -27.936
flat angles C4'-P-C4' energy: -30.047
flat angles P-C4'-P energy: -17.532
tors. eta vs tors. theta energy: -44.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -452.102722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.102722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.102722 (E_RNA)
where:
Base-Base interactions energy: -332.209
where: short stacking energy: -131.714
Base-Backbone interact. energy: -0.088
local terms energy: -129.805643
where:
bonds (distance) C4'-P energy: -22.653
bonds (distance) P-C4' energy: -19.988
flat angles C4'-P-C4' energy: -27.205
flat angles P-C4'-P energy: -18.149
tors. eta vs tors. theta energy: -41.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -210.047974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.047974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.047974 (E_RNA)
where:
Base-Base interactions energy: -127.149
where: short stacking energy: -69.994
Base-Backbone interact. energy: 0.262
local terms energy: -93.160586
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -25.844
flat angles C4'-P-C4' energy: -21.475
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -17.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -149.777761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.777761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.777761 (E_RNA)
where:
Base-Base interactions energy: -89.151
where: short stacking energy: -56.200
Base-Backbone interact. energy: -0.261
local terms energy: -70.365581
where:
bonds (distance) C4'-P energy: -22.980
bonds (distance) P-C4' energy: -23.800
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: 0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -132.365234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.365234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.365234 (E_RNA)
where:
Base-Base interactions energy: -57.469
where: short stacking energy: -45.648
Base-Backbone interact. energy: -0.476
local terms energy: -84.420017
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -20.555
flat angles C4'-P-C4' energy: -22.151
flat angles P-C4'-P energy: -10.849
tors. eta vs tors. theta energy: -7.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -505.610993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.610993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.610993 (E_RNA)
where:
Base-Base interactions energy: -361.797
where: short stacking energy: -152.229
Base-Backbone interact. energy: -0.043
local terms energy: -153.771620
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -28.039
flat angles C4'-P-C4' energy: -27.729
flat angles P-C4'-P energy: -28.043
tors. eta vs tors. theta energy: -46.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -489.002229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.002229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.002229 (E_RNA)
where:
Base-Base interactions energy: -348.992
where: short stacking energy: -148.669
Base-Backbone interact. energy: -0.804
local terms energy: -149.206047
where:
bonds (distance) C4'-P energy: -30.547
bonds (distance) P-C4' energy: -29.675
flat angles C4'-P-C4' energy: -30.317
flat angles P-C4'-P energy: -14.316
tors. eta vs tors. theta energy: -44.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -488.339878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.339878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.339878 (E_RNA)
where:
Base-Base interactions energy: -344.037
where: short stacking energy: -146.511
Base-Backbone interact. energy: -0.762
local terms energy: -153.540659
where:
bonds (distance) C4'-P energy: -29.231
bonds (distance) P-C4' energy: -23.786
flat angles C4'-P-C4' energy: -31.329
flat angles P-C4'-P energy: -23.310
tors. eta vs tors. theta energy: -45.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -467.371376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.371376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.371376 (E_RNA)
where:
Base-Base interactions energy: -331.207
where: short stacking energy: -136.923
Base-Backbone interact. energy: -0.158
local terms energy: -146.005759
where:
bonds (distance) C4'-P energy: -24.730
bonds (distance) P-C4' energy: -28.348
flat angles C4'-P-C4' energy: -31.542
flat angles P-C4'-P energy: -19.945
tors. eta vs tors. theta energy: -41.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -474.292920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.292920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.292920 (E_RNA)
where:
Base-Base interactions energy: -336.222
where: short stacking energy: -140.609
Base-Backbone interact. energy: -0.002
local terms energy: -148.068525
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -25.079
flat angles C4'-P-C4' energy: -27.782
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -46.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -456.392610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.392610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.392610 (E_RNA)
where:
Base-Base interactions energy: -321.766
where: short stacking energy: -134.757
Base-Backbone interact. energy: -0.611
local terms energy: -144.016208
where:
bonds (distance) C4'-P energy: -25.493
bonds (distance) P-C4' energy: -26.403
flat angles C4'-P-C4' energy: -32.741
flat angles P-C4'-P energy: -20.412
tors. eta vs tors. theta energy: -38.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -432.767402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.767402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.767402 (E_RNA)
where:
Base-Base interactions energy: -312.099
where: short stacking energy: -128.572
Base-Backbone interact. energy: -0.070
local terms energy: -130.597810
where:
bonds (distance) C4'-P energy: -21.357
bonds (distance) P-C4' energy: -23.929
flat angles C4'-P-C4' energy: -25.062
flat angles P-C4'-P energy: -23.105
tors. eta vs tors. theta energy: -37.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -216.080069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.080069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.080069 (E_RNA)
where:
Base-Base interactions energy: -131.365
where: short stacking energy: -72.113
Base-Backbone interact. energy: 1.384
local terms energy: -96.099115
where:
bonds (distance) C4'-P energy: -21.945
bonds (distance) P-C4' energy: -23.350
flat angles C4'-P-C4' energy: -21.948
flat angles P-C4'-P energy: -14.046
tors. eta vs tors. theta energy: -14.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -139.997000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.997000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.997000 (E_RNA)
where:
Base-Base interactions energy: -55.178
where: short stacking energy: -49.763
Base-Backbone interact. energy: -0.348
local terms energy: -94.470823
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -26.080
flat angles C4'-P-C4' energy: -24.732
flat angles P-C4'-P energy: -15.045
tors. eta vs tors. theta energy: -5.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -116.508352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.508352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.508352 (E_RNA)
where:
Base-Base interactions energy: -47.670
where: short stacking energy: -47.670
Base-Backbone interact. energy: -0.437
local terms energy: -78.401999
where:
bonds (distance) C4'-P energy: -24.320
bonds (distance) P-C4' energy: -21.563
flat angles C4'-P-C4' energy: -20.744
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -2.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -502.343341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.343341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.343341 (E_RNA)
where:
Base-Base interactions energy: -353.086
where: short stacking energy: -147.763
Base-Backbone interact. energy: -0.290
local terms energy: -158.967744
where:
bonds (distance) C4'-P energy: -29.002
bonds (distance) P-C4' energy: -30.705
flat angles C4'-P-C4' energy: -29.895
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -46.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -489.279580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.279580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.279580 (E_RNA)
where:
Base-Base interactions energy: -349.857
where: short stacking energy: -150.201
Base-Backbone interact. energy: 0.737
local terms energy: -150.160155
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -31.462
flat angles P-C4'-P energy: -25.567
tors. eta vs tors. theta energy: -45.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -487.765554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.765554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.765554 (E_RNA)
where:
Base-Base interactions energy: -348.126
where: short stacking energy: -146.735
Base-Backbone interact. energy: -0.124
local terms energy: -149.516176
where:
bonds (distance) C4'-P energy: -25.728
bonds (distance) P-C4' energy: -29.377
flat angles C4'-P-C4' energy: -27.567
flat angles P-C4'-P energy: -25.751
tors. eta vs tors. theta energy: -41.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -467.681899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.681899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.681899 (E_RNA)
where:
Base-Base interactions energy: -329.620
where: short stacking energy: -133.701
Base-Backbone interact. energy: 2.010
local terms energy: -150.071698
where:
bonds (distance) C4'-P energy: -28.659
bonds (distance) P-C4' energy: -28.643
flat angles C4'-P-C4' energy: -29.439
flat angles P-C4'-P energy: -19.035
tors. eta vs tors. theta energy: -44.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -469.637330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.637330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.637330 (E_RNA)
where:
Base-Base interactions energy: -336.162
where: short stacking energy: -135.080
Base-Backbone interact. energy: -0.090
local terms energy: -143.385682
where:
bonds (distance) C4'-P energy: -28.437
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -33.542
flat angles P-C4'-P energy: -20.351
tors. eta vs tors. theta energy: -39.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -449.667481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.667481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.667481 (E_RNA)
where:
Base-Base interactions energy: -317.767
where: short stacking energy: -125.674
Base-Backbone interact. energy: 1.280
local terms energy: -143.180568
where:
bonds (distance) C4'-P energy: -22.776
bonds (distance) P-C4' energy: -26.621
flat angles C4'-P-C4' energy: -31.982
flat angles P-C4'-P energy: -21.124
tors. eta vs tors. theta energy: -40.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -449.987076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.987076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.987076 (E_RNA)
where:
Base-Base interactions energy: -319.302
where: short stacking energy: -133.471
Base-Backbone interact. energy: -0.211
local terms energy: -140.473217
where:
bonds (distance) C4'-P energy: -26.395
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -34.087
flat angles P-C4'-P energy: -22.048
tors. eta vs tors. theta energy: -39.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -195.137564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.137564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.137564 (E_RNA)
where:
Base-Base interactions energy: -115.274
where: short stacking energy: -66.599
Base-Backbone interact. energy: -0.386
local terms energy: -89.477726
where:
bonds (distance) C4'-P energy: -20.018
bonds (distance) P-C4' energy: -23.492
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -16.813
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -122.792953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.792953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.792953 (E_RNA)
where:
Base-Base interactions energy: -51.258
where: short stacking energy: -50.072
Base-Backbone interact. energy: 0.030
local terms energy: -81.564411
where:
bonds (distance) C4'-P energy: -21.912
bonds (distance) P-C4' energy: -22.575
flat angles C4'-P-C4' energy: -26.916
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: 1.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -119.234669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.234669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.234669 (E_RNA)
where:
Base-Base interactions energy: -43.840
where: short stacking energy: -38.600
Base-Backbone interact. energy: -1.894
local terms energy: -83.500646
where:
bonds (distance) C4'-P energy: -27.502
bonds (distance) P-C4' energy: -21.953
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -22.239
tors. eta vs tors. theta energy: 5.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -500.108351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.108351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.108351 (E_RNA)
where:
Base-Base interactions energy: -356.816
where: short stacking energy: -140.441
Base-Backbone interact. energy: -0.975
local terms energy: -152.317519
where:
bonds (distance) C4'-P energy: -30.825
bonds (distance) P-C4' energy: -29.816
flat angles C4'-P-C4' energy: -27.175
flat angles P-C4'-P energy: -21.020
tors. eta vs tors. theta energy: -43.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -485.324234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.324234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.324234 (E_RNA)
where:
Base-Base interactions energy: -350.903
where: short stacking energy: -147.012
Base-Backbone interact. energy: -0.009
local terms energy: -144.412057
where:
bonds (distance) C4'-P energy: -27.262
bonds (distance) P-C4' energy: -26.238
flat angles C4'-P-C4' energy: -25.277
flat angles P-C4'-P energy: -21.590
tors. eta vs tors. theta energy: -44.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -489.571297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.571297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.571297 (E_RNA)
where:
Base-Base interactions energy: -350.208
where: short stacking energy: -147.226
Base-Backbone interact. energy: -0.045
local terms energy: -149.317827
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -23.613
flat angles C4'-P-C4' energy: -30.546
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: -48.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -476.242568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.242568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.242568 (E_RNA)
where:
Base-Base interactions energy: -340.163
where: short stacking energy: -152.087
Base-Backbone interact. energy: -0.021
local terms energy: -146.058131
where:
bonds (distance) C4'-P energy: -25.566
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -33.899
flat angles P-C4'-P energy: -21.789
tors. eta vs tors. theta energy: -44.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -480.322708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.322708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.322708 (E_RNA)
where:
Base-Base interactions energy: -345.716
where: short stacking energy: -142.659
Base-Backbone interact. energy: 0.347
local terms energy: -144.953534
where:
bonds (distance) C4'-P energy: -30.304
bonds (distance) P-C4' energy: -24.817
flat angles C4'-P-C4' energy: -25.014
flat angles P-C4'-P energy: -21.087
tors. eta vs tors. theta energy: -43.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -471.310019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.310019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.310019 (E_RNA)
where:
Base-Base interactions energy: -353.498
where: short stacking energy: -137.430
Base-Backbone interact. energy: -0.331
local terms energy: -127.481047
where:
bonds (distance) C4'-P energy: -20.077
bonds (distance) P-C4' energy: -26.873
flat angles C4'-P-C4' energy: -26.196
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -41.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -437.992227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.992227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.992227 (E_RNA)
where:
Base-Base interactions energy: -318.397
where: short stacking energy: -139.630
Base-Backbone interact. energy: -0.154
local terms energy: -129.442053
where:
bonds (distance) C4'-P energy: -25.591
bonds (distance) P-C4' energy: -25.327
flat angles C4'-P-C4' energy: -21.804
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -45.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -199.529370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.529370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.529370 (E_RNA)
where:
Base-Base interactions energy: -116.046
where: short stacking energy: -59.853
Base-Backbone interact. energy: -1.177
local terms energy: -92.306394
where:
bonds (distance) C4'-P energy: -24.001
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -130.068198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.068198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.068198 (E_RNA)
where:
Base-Base interactions energy: -50.818
where: short stacking energy: -45.973
Base-Backbone interact. energy: -0.197
local terms energy: -89.052738
where:
bonds (distance) C4'-P energy: -27.191
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -22.287
flat angles P-C4'-P energy: -6.026
tors. eta vs tors. theta energy: -5.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -134.157260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.157260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.157260 (E_RNA)
where:
Base-Base interactions energy: -65.674
where: short stacking energy: -40.667
Base-Backbone interact. energy: -1.259
local terms energy: -77.224197
where:
bonds (distance) C4'-P energy: -24.441
bonds (distance) P-C4' energy: -21.381
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: 1.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -499.752522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.752522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.752522 (E_RNA)
where:
Base-Base interactions energy: -361.751
where: short stacking energy: -154.743
Base-Backbone interact. energy: -0.032
local terms energy: -147.970087
where:
bonds (distance) C4'-P energy: -27.612
bonds (distance) P-C4' energy: -25.225
flat angles C4'-P-C4' energy: -32.657
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: -43.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -496.139392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.139392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.139392 (E_RNA)
where:
Base-Base interactions energy: -362.919
where: short stacking energy: -143.930
Base-Backbone interact. energy: -0.736
local terms energy: -142.485197
where:
bonds (distance) C4'-P energy: -27.124
bonds (distance) P-C4' energy: -26.122
flat angles C4'-P-C4' energy: -26.865
flat angles P-C4'-P energy: -21.342
tors. eta vs tors. theta energy: -41.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -484.867378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.867378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.867378 (E_RNA)
where:
Base-Base interactions energy: -350.229
where: short stacking energy: -148.927
Base-Backbone interact. energy: -0.379
local terms energy: -144.258881
where:
bonds (distance) C4'-P energy: -23.860
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -32.135
flat angles P-C4'-P energy: -21.702
tors. eta vs tors. theta energy: -45.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -471.784798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.784798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.784798 (E_RNA)
where:
Base-Base interactions energy: -341.851
where: short stacking energy: -140.952
Base-Backbone interact. energy: -0.202
local terms energy: -139.731404
where:
bonds (distance) C4'-P energy: -24.246
bonds (distance) P-C4' energy: -27.261
flat angles C4'-P-C4' energy: -26.734
flat angles P-C4'-P energy: -16.763
tors. eta vs tors. theta energy: -44.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -469.265779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.265779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.265779 (E_RNA)
where:
Base-Base interactions energy: -339.369
where: short stacking energy: -148.566
Base-Backbone interact. energy: -0.806
local terms energy: -139.090377
where:
bonds (distance) C4'-P energy: -22.044
bonds (distance) P-C4' energy: -24.456
flat angles C4'-P-C4' energy: -30.928
flat angles P-C4'-P energy: -18.394
tors. eta vs tors. theta energy: -43.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -447.681802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.681802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.681802 (E_RNA)
where:
Base-Base interactions energy: -326.946
where: short stacking energy: -133.171
Base-Backbone interact. energy: -0.119
local terms energy: -130.617232
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -20.338
flat angles C4'-P-C4' energy: -27.050
flat angles P-C4'-P energy: -19.976
tors. eta vs tors. theta energy: -43.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -434.509668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.509668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.509668 (E_RNA)
where:
Base-Base interactions energy: -321.322
where: short stacking energy: -128.783
Base-Backbone interact. energy: -0.533
local terms energy: -122.654779
where:
bonds (distance) C4'-P energy: -20.609
bonds (distance) P-C4' energy: -22.757
flat angles C4'-P-C4' energy: -27.805
flat angles P-C4'-P energy: -14.761
tors. eta vs tors. theta energy: -36.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -195.633887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.633887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.633887 (E_RNA)
where:
Base-Base interactions energy: -111.762
where: short stacking energy: -62.015
Base-Backbone interact. energy: -0.440
local terms energy: -93.432343
where:
bonds (distance) C4'-P energy: -23.441
bonds (distance) P-C4' energy: -26.131
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -11.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -171.551470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.551470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.551470 (E_RNA)
where:
Base-Base interactions energy: -89.792
where: short stacking energy: -53.387
Base-Backbone interact. energy: -0.876
local terms energy: -90.883905
where:
bonds (distance) C4'-P energy: -29.719
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -121.596702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.596702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.596702 (E_RNA)
where:
Base-Base interactions energy: -53.685
where: short stacking energy: -49.624
Base-Backbone interact. energy: -0.404
local terms energy: -77.507810
where:
bonds (distance) C4'-P energy: -19.137
bonds (distance) P-C4' energy: -25.158
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -495.290447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.290447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.290447 (E_RNA)
where:
Base-Base interactions energy: -359.254
where: short stacking energy: -144.638
Base-Backbone interact. energy: -0.565
local terms energy: -145.472007
where:
bonds (distance) C4'-P energy: -27.383
bonds (distance) P-C4' energy: -25.703
flat angles C4'-P-C4' energy: -29.484
flat angles P-C4'-P energy: -17.765
tors. eta vs tors. theta energy: -45.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -496.272255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.272255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.272255 (E_RNA)
where:
Base-Base interactions energy: -359.616
where: short stacking energy: -156.289
Base-Backbone interact. energy: -0.206
local terms energy: -146.450887
where:
bonds (distance) C4'-P energy: -27.529
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -29.866
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -46.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -478.818567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.818567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.818567 (E_RNA)
where:
Base-Base interactions energy: -346.198
where: short stacking energy: -147.082
Base-Backbone interact. energy: -0.021
local terms energy: -142.599393
where:
bonds (distance) C4'-P energy: -22.116
bonds (distance) P-C4' energy: -25.789
flat angles C4'-P-C4' energy: -27.606
flat angles P-C4'-P energy: -24.211
tors. eta vs tors. theta energy: -42.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -467.809594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.809594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.809594 (E_RNA)
where:
Base-Base interactions energy: -329.644
where: short stacking energy: -135.790
Base-Backbone interact. energy: -0.052
local terms energy: -148.113822
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -27.429
flat angles C4'-P-C4' energy: -32.405
flat angles P-C4'-P energy: -22.663
tors. eta vs tors. theta energy: -40.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -459.561541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.561541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.561541 (E_RNA)
where:
Base-Base interactions energy: -320.134
where: short stacking energy: -138.035
Base-Backbone interact. energy: -0.464
local terms energy: -148.963525
where:
bonds (distance) C4'-P energy: -23.793
bonds (distance) P-C4' energy: -29.113
flat angles C4'-P-C4' energy: -27.089
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -47.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -464.372449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.372449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.372449 (E_RNA)
where:
Base-Base interactions energy: -334.737
where: short stacking energy: -138.001
Base-Backbone interact. energy: -0.444
local terms energy: -139.191505
where:
bonds (distance) C4'-P energy: -27.804
bonds (distance) P-C4' energy: -24.043
flat angles C4'-P-C4' energy: -28.605
flat angles P-C4'-P energy: -15.738
tors. eta vs tors. theta energy: -43.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -459.310015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.310015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.310015 (E_RNA)
where:
Base-Base interactions energy: -327.969
where: short stacking energy: -137.025
Base-Backbone interact. energy: -1.180
local terms energy: -140.160490
where:
bonds (distance) C4'-P energy: -24.003
bonds (distance) P-C4' energy: -24.661
flat angles C4'-P-C4' energy: -26.280
flat angles P-C4'-P energy: -22.589
tors. eta vs tors. theta energy: -42.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -206.568769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.568769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.568769 (E_RNA)
where:
Base-Base interactions energy: -122.287
where: short stacking energy: -72.176
Base-Backbone interact. energy: 1.286
local terms energy: -95.567337
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -27.463
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -188.151700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.151700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.151700 (E_RNA)
where:
Base-Base interactions energy: -106.580
where: short stacking energy: -72.105
Base-Backbone interact. energy: -0.517
local terms energy: -91.055557
where:
bonds (distance) C4'-P energy: -20.336
bonds (distance) P-C4' energy: -23.813
flat angles C4'-P-C4' energy: -23.063
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -14.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -144.833785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.833785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.833785 (E_RNA)
where:
Base-Base interactions energy: -61.178
where: short stacking energy: -57.566
Base-Backbone interact. energy: 1.313
local terms energy: -94.968856
where:
bonds (distance) C4'-P energy: -26.230
bonds (distance) P-C4' energy: -22.713
flat angles C4'-P-C4' energy: -23.371
flat angles P-C4'-P energy: -15.881
tors. eta vs tors. theta energy: -6.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -508.568291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.568291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.568291 (E_RNA)
where:
Base-Base interactions energy: -365.009
where: short stacking energy: -151.076
Base-Backbone interact. energy: 0.234
local terms energy: -153.793567
where:
bonds (distance) C4'-P energy: -25.563
bonds (distance) P-C4' energy: -30.752
flat angles C4'-P-C4' energy: -32.130
flat angles P-C4'-P energy: -21.279
tors. eta vs tors. theta energy: -44.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -490.233787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.233787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.233787 (E_RNA)
where:
Base-Base interactions energy: -344.582
where: short stacking energy: -148.557
Base-Backbone interact. energy: -0.241
local terms energy: -155.411127
where:
bonds (distance) C4'-P energy: -28.481
bonds (distance) P-C4' energy: -29.620
flat angles C4'-P-C4' energy: -32.911
flat angles P-C4'-P energy: -20.356
tors. eta vs tors. theta energy: -44.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -482.339601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.339601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.339601 (E_RNA)
where:
Base-Base interactions energy: -350.775
where: short stacking energy: -153.213
Base-Backbone interact. energy: -0.469
local terms energy: -141.095823
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -28.024
flat angles C4'-P-C4' energy: -26.457
flat angles P-C4'-P energy: -18.677
tors. eta vs tors. theta energy: -48.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -467.100551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.100551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.100551 (E_RNA)
where:
Base-Base interactions energy: -336.015
where: short stacking energy: -140.977
Base-Backbone interact. energy: 0.067
local terms energy: -141.152542
where:
bonds (distance) C4'-P energy: -18.320
bonds (distance) P-C4' energy: -29.620
flat angles C4'-P-C4' energy: -27.664
flat angles P-C4'-P energy: -19.581
tors. eta vs tors. theta energy: -45.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -457.556169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.556169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.556169 (E_RNA)
where:
Base-Base interactions energy: -327.921
where: short stacking energy: -126.922
Base-Backbone interact. energy: -0.093
local terms energy: -139.542156
where:
bonds (distance) C4'-P energy: -25.222
bonds (distance) P-C4' energy: -26.392
flat angles C4'-P-C4' energy: -27.211
flat angles P-C4'-P energy: -22.735
tors. eta vs tors. theta energy: -37.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -468.768217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.768217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.768217 (E_RNA)
where:
Base-Base interactions energy: -328.343
where: short stacking energy: -138.230
Base-Backbone interact. energy: -0.004
local terms energy: -150.421003
where:
bonds (distance) C4'-P energy: -23.590
bonds (distance) P-C4' energy: -25.252
flat angles C4'-P-C4' energy: -30.829
flat angles P-C4'-P energy: -24.171
tors. eta vs tors. theta energy: -46.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -421.723728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.723728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.723728 (E_RNA)
where:
Base-Base interactions energy: -296.172
where: short stacking energy: -122.497
Base-Backbone interact. energy: -0.274
local terms energy: -135.277481
where:
bonds (distance) C4'-P energy: -25.756
bonds (distance) P-C4' energy: -28.467
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -20.448
tors. eta vs tors. theta energy: -36.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -202.365727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.365727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.365727 (E_RNA)
where:
Base-Base interactions energy: -115.021
where: short stacking energy: -58.441
Base-Backbone interact. energy: -0.629
local terms energy: -96.715694
where:
bonds (distance) C4'-P energy: -25.481
bonds (distance) P-C4' energy: -27.066
flat angles C4'-P-C4' energy: -16.179
flat angles P-C4'-P energy: -17.958
tors. eta vs tors. theta energy: -10.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -141.452525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.452525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.452525 (E_RNA)
where:
Base-Base interactions energy: -71.751
where: short stacking energy: -37.783
Base-Backbone interact. energy: 1.081
local terms energy: -80.782920
where:
bonds (distance) C4'-P energy: -28.468
bonds (distance) P-C4' energy: -22.768
flat angles C4'-P-C4' energy: -19.513
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -1.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -117.095658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.095658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.095658 (E_RNA)
where:
Base-Base interactions energy: -43.020
where: short stacking energy: -43.020
Base-Backbone interact. energy: 0.661
local terms energy: -84.736879
where:
bonds (distance) C4'-P energy: -21.254
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -23.239
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: 0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -497.484846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.484846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.484846 (E_RNA)
where:
Base-Base interactions energy: -352.857
where: short stacking energy: -142.013
Base-Backbone interact. energy: -0.263
local terms energy: -154.364902
where:
bonds (distance) C4'-P energy: -32.517
bonds (distance) P-C4' energy: -28.678
flat angles C4'-P-C4' energy: -32.493
flat angles P-C4'-P energy: -19.032
tors. eta vs tors. theta energy: -41.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -491.505980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.505980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.505980 (E_RNA)
where:
Base-Base interactions energy: -346.266
where: short stacking energy: -153.050
Base-Backbone interact. energy: -0.187
local terms energy: -155.053182
where:
bonds (distance) C4'-P energy: -24.061
bonds (distance) P-C4' energy: -30.217
flat angles C4'-P-C4' energy: -30.371
flat angles P-C4'-P energy: -23.283
tors. eta vs tors. theta energy: -47.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -479.810156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.810156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.810156 (E_RNA)
where:
Base-Base interactions energy: -348.110
where: short stacking energy: -138.924
Base-Backbone interact. energy: -0.316
local terms energy: -141.384362
where:
bonds (distance) C4'-P energy: -25.454
bonds (distance) P-C4' energy: -24.421
flat angles C4'-P-C4' energy: -27.564
flat angles P-C4'-P energy: -20.462
tors. eta vs tors. theta energy: -43.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -478.152869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.152869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.152869 (E_RNA)
where:
Base-Base interactions energy: -336.222
where: short stacking energy: -145.555
Base-Backbone interact. energy: -0.901
local terms energy: -151.029955
where:
bonds (distance) C4'-P energy: -25.586
bonds (distance) P-C4' energy: -26.921
flat angles C4'-P-C4' energy: -30.590
flat angles P-C4'-P energy: -24.930
tors. eta vs tors. theta energy: -43.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -457.688816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.688816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.688816 (E_RNA)
where:
Base-Base interactions energy: -335.444
where: short stacking energy: -144.234
Base-Backbone interact. energy: -0.002
local terms energy: -132.243395
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -22.025
flat angles C4'-P-C4' energy: -27.094
flat angles P-C4'-P energy: -21.163
tors. eta vs tors. theta energy: -45.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -461.936892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.936892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.936892 (E_RNA)
where:
Base-Base interactions energy: -333.922
where: short stacking energy: -135.045
Base-Backbone interact. energy: -0.903
local terms energy: -137.111213
where:
bonds (distance) C4'-P energy: -19.001
bonds (distance) P-C4' energy: -25.073
flat angles C4'-P-C4' energy: -30.636
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -46.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -442.052177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.052177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.052177 (E_RNA)
where:
Base-Base interactions energy: -322.520
where: short stacking energy: -135.366
Base-Backbone interact. energy: -0.003
local terms energy: -129.529654
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -28.593
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -41.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -201.156917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.156917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.156917 (E_RNA)
where:
Base-Base interactions energy: -110.949
where: short stacking energy: -58.789
Base-Backbone interact. energy: -0.251
local terms energy: -99.956836
where:
bonds (distance) C4'-P energy: -29.189
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -23.976
flat angles P-C4'-P energy: -18.528
tors. eta vs tors. theta energy: -9.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -138.785116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.785116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.785116 (E_RNA)
where:
Base-Base interactions energy: -64.641
where: short stacking energy: -41.215
Base-Backbone interact. energy: 1.691
local terms energy: -85.834943
where:
bonds (distance) C4'-P energy: -27.703
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -25.563
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -120.287232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.287232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.287232 (E_RNA)
where:
Base-Base interactions energy: -44.450
where: short stacking energy: -42.198
Base-Backbone interact. energy: 0.043
local terms energy: -85.880412
where:
bonds (distance) C4'-P energy: -23.414
bonds (distance) P-C4' energy: -28.126
flat angles C4'-P-C4' energy: -20.650
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -489.664609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.664609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.664609 (E_RNA)
where:
Base-Base interactions energy: -347.955
where: short stacking energy: -149.453
Base-Backbone interact. energy: -0.155
local terms energy: -151.554613
where:
bonds (distance) C4'-P energy: -27.131
bonds (distance) P-C4' energy: -30.636
flat angles C4'-P-C4' energy: -29.956
flat angles P-C4'-P energy: -19.703
tors. eta vs tors. theta energy: -44.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -494.278333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.278333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.278333 (E_RNA)
where:
Base-Base interactions energy: -348.478
where: short stacking energy: -146.987
Base-Backbone interact. energy: -0.021
local terms energy: -155.779029
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -28.039
flat angles C4'-P-C4' energy: -32.390
flat angles P-C4'-P energy: -21.718
tors. eta vs tors. theta energy: -42.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -469.100203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.100203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.100203 (E_RNA)
where:
Base-Base interactions energy: -328.863
where: short stacking energy: -137.148
Base-Backbone interact. energy: -0.351
local terms energy: -149.886088
where:
bonds (distance) C4'-P energy: -24.102
bonds (distance) P-C4' energy: -30.210
flat angles C4'-P-C4' energy: -31.128
flat angles P-C4'-P energy: -24.226
tors. eta vs tors. theta energy: -40.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -476.390640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.390640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.390640 (E_RNA)
where:
Base-Base interactions energy: -346.896
where: short stacking energy: -144.272
Base-Backbone interact. energy: -0.225
local terms energy: -139.269437
where:
bonds (distance) C4'-P energy: -21.824
bonds (distance) P-C4' energy: -27.415
flat angles C4'-P-C4' energy: -29.072
flat angles P-C4'-P energy: -15.127
tors. eta vs tors. theta energy: -45.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -469.179734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.179734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.179734 (E_RNA)
where:
Base-Base interactions energy: -339.956
where: short stacking energy: -150.005
Base-Backbone interact. energy: -0.083
local terms energy: -139.140133
where:
bonds (distance) C4'-P energy: -26.152
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -30.425
flat angles P-C4'-P energy: -19.085
tors. eta vs tors. theta energy: -45.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -454.810632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.810632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.810632 (E_RNA)
where:
Base-Base interactions energy: -335.619
where: short stacking energy: -126.994
Base-Backbone interact. energy: -0.043
local terms energy: -129.149001
where:
bonds (distance) C4'-P energy: -20.984
bonds (distance) P-C4' energy: -19.122
flat angles C4'-P-C4' energy: -25.744
flat angles P-C4'-P energy: -25.202
tors. eta vs tors. theta energy: -38.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -446.877494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.877494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.877494 (E_RNA)
where:
Base-Base interactions energy: -317.050
where: short stacking energy: -133.060
Base-Backbone interact. energy: -0.236
local terms energy: -139.591341
where:
bonds (distance) C4'-P energy: -23.581
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -28.565
flat angles P-C4'-P energy: -19.704
tors. eta vs tors. theta energy: -43.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -192.575247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.575247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.575247 (E_RNA)
where:
Base-Base interactions energy: -110.180
where: short stacking energy: -66.503
Base-Backbone interact. energy: 0.040
local terms energy: -92.435790
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -30.864
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -9.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -134.701312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.701312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.701312 (E_RNA)
where:
Base-Base interactions energy: -47.753
where: short stacking energy: -42.968
Base-Backbone interact. energy: 0.284
local terms energy: -97.231873
where:
bonds (distance) C4'-P energy: -21.419
bonds (distance) P-C4' energy: -26.736
flat angles C4'-P-C4' energy: -30.258
flat angles P-C4'-P energy: -14.769
tors. eta vs tors. theta energy: -4.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -123.157834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.157834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.157834 (E_RNA)
where:
Base-Base interactions energy: -53.688
where: short stacking energy: -38.961
Base-Backbone interact. energy: -0.125
local terms energy: -79.344023
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -27.688
flat angles C4'-P-C4' energy: -24.077
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -499.340518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.340518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.340518 (E_RNA)
where:
Base-Base interactions energy: -353.786
where: short stacking energy: -149.165
Base-Backbone interact. energy: -0.631
local terms energy: -154.924092
where:
bonds (distance) C4'-P energy: -28.762
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -28.423
flat angles P-C4'-P energy: -22.108
tors. eta vs tors. theta energy: -46.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -494.820646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.820646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.820646 (E_RNA)
where:
Base-Base interactions energy: -346.172
where: short stacking energy: -148.085
Base-Backbone interact. energy: -0.020
local terms energy: -158.628590
where:
bonds (distance) C4'-P energy: -27.875
bonds (distance) P-C4' energy: -30.387
flat angles C4'-P-C4' energy: -31.727
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -47.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -476.742203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.742203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.742203 (E_RNA)
where:
Base-Base interactions energy: -346.878
where: short stacking energy: -151.069
Base-Backbone interact. energy: -0.098
local terms energy: -139.765994
where:
bonds (distance) C4'-P energy: -27.509
bonds (distance) P-C4' energy: -23.555
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -43.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -470.784165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.784165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.784165 (E_RNA)
where:
Base-Base interactions energy: -329.647
where: short stacking energy: -151.106
Base-Backbone interact. energy: -0.131
local terms energy: -151.005949
where:
bonds (distance) C4'-P energy: -28.311
bonds (distance) P-C4' energy: -21.203
flat angles C4'-P-C4' energy: -30.672
flat angles P-C4'-P energy: -24.730
tors. eta vs tors. theta energy: -46.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -453.868901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.868901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.868901 (E_RNA)
where:
Base-Base interactions energy: -324.433
where: short stacking energy: -133.624
Base-Backbone interact. energy: -0.102
local terms energy: -139.334010
where:
bonds (distance) C4'-P energy: -27.027
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -32.265
flat angles P-C4'-P energy: -22.925
tors. eta vs tors. theta energy: -38.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -460.668806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.668806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.668806 (E_RNA)
where:
Base-Base interactions energy: -340.578
where: short stacking energy: -131.518
Base-Backbone interact. energy: -0.221
local terms energy: -129.869826
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -26.705
flat angles C4'-P-C4' energy: -22.377
flat angles P-C4'-P energy: -20.645
tors. eta vs tors. theta energy: -39.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -448.949315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.949315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.949315 (E_RNA)
where:
Base-Base interactions energy: -322.569
where: short stacking energy: -134.933
Base-Backbone interact. energy: -0.052
local terms energy: -136.327938
where:
bonds (distance) C4'-P energy: -23.090
bonds (distance) P-C4' energy: -21.143
flat angles C4'-P-C4' energy: -27.842
flat angles P-C4'-P energy: -21.554
tors. eta vs tors. theta energy: -42.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -223.794438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.794438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.794438 (E_RNA)
where:
Base-Base interactions energy: -138.217
where: short stacking energy: -71.269
Base-Backbone interact. energy: 0.522
local terms energy: -96.100273
where:
bonds (distance) C4'-P energy: -21.578
bonds (distance) P-C4' energy: -28.681
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -8.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -130.227354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.227354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.227354 (E_RNA)
where:
Base-Base interactions energy: -42.087
where: short stacking energy: -37.268
Base-Backbone interact. energy: -0.763
local terms energy: -97.377028
where:
bonds (distance) C4'-P energy: -25.757
bonds (distance) P-C4' energy: -26.770
flat angles C4'-P-C4' energy: -25.243
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -4.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -122.724514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.724514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.724514 (E_RNA)
where:
Base-Base interactions energy: -46.956
where: short stacking energy: -28.279
Base-Backbone interact. energy: -1.269
local terms energy: -84.499608
where:
bonds (distance) C4'-P energy: -19.717
bonds (distance) P-C4' energy: -23.025
flat angles C4'-P-C4' energy: -27.255
flat angles P-C4'-P energy: -16.856
tors. eta vs tors. theta energy: 2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -496.402158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.402158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.402158 (E_RNA)
where:
Base-Base interactions energy: -352.760
where: short stacking energy: -142.924
Base-Backbone interact. energy: -0.087
local terms energy: -153.555272
where:
bonds (distance) C4'-P energy: -25.436
bonds (distance) P-C4' energy: -29.275
flat angles C4'-P-C4' energy: -29.659
flat angles P-C4'-P energy: -24.389
tors. eta vs tors. theta energy: -44.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -490.868179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.868179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.868179 (E_RNA)
where:
Base-Base interactions energy: -354.064
where: short stacking energy: -150.331
Base-Backbone interact. energy: -0.174
local terms energy: -146.629936
where:
bonds (distance) C4'-P energy: -27.680
bonds (distance) P-C4' energy: -24.632
flat angles C4'-P-C4' energy: -27.389
flat angles P-C4'-P energy: -22.050
tors. eta vs tors. theta energy: -44.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -477.767097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.767097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.767097 (E_RNA)
where:
Base-Base interactions energy: -345.843
where: short stacking energy: -147.077
Base-Backbone interact. energy: -0.001
local terms energy: -141.922633
where:
bonds (distance) C4'-P energy: -22.633
bonds (distance) P-C4' energy: -27.948
flat angles C4'-P-C4' energy: -28.684
flat angles P-C4'-P energy: -19.364
tors. eta vs tors. theta energy: -43.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -473.002748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.002748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.002748 (E_RNA)
where:
Base-Base interactions energy: -339.985
where: short stacking energy: -145.741
Base-Backbone interact. energy: -0.016
local terms energy: -143.002176
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -30.146
flat angles P-C4'-P energy: -26.482
tors. eta vs tors. theta energy: -43.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -472.182074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.182074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.182074 (E_RNA)
where:
Base-Base interactions energy: -335.349
where: short stacking energy: -137.422
Base-Backbone interact. energy: -0.845
local terms energy: -145.988735
where:
bonds (distance) C4'-P energy: -24.880
bonds (distance) P-C4' energy: -29.155
flat angles C4'-P-C4' energy: -28.817
flat angles P-C4'-P energy: -21.794
tors. eta vs tors. theta energy: -41.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -458.712127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.712127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.712127 (E_RNA)
where:
Base-Base interactions energy: -337.518
where: short stacking energy: -132.599
Base-Backbone interact. energy: -0.240
local terms energy: -130.954131
where:
bonds (distance) C4'-P energy: -25.969
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -24.061
flat angles P-C4'-P energy: -18.771
tors. eta vs tors. theta energy: -44.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -428.665717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.665717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.665717 (E_RNA)
where:
Base-Base interactions energy: -296.582
where: short stacking energy: -131.217
Base-Backbone interact. energy: -0.316
local terms energy: -141.767935
where:
bonds (distance) C4'-P energy: -25.693
bonds (distance) P-C4' energy: -28.131
flat angles C4'-P-C4' energy: -30.069
flat angles P-C4'-P energy: -18.146
tors. eta vs tors. theta energy: -39.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -215.284478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.284478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.284478 (E_RNA)
where:
Base-Base interactions energy: -116.793
where: short stacking energy: -67.302
Base-Backbone interact. energy: -0.223
local terms energy: -108.268950
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -31.963
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -17.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -159.821688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.821688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.821688 (E_RNA)
where:
Base-Base interactions energy: -86.103
where: short stacking energy: -41.895
Base-Backbone interact. energy: -1.039
local terms energy: -82.679483
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -24.480
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -116.276746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.276746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.276746 (E_RNA)
where:
Base-Base interactions energy: -50.784
where: short stacking energy: -49.159
Base-Backbone interact. energy: 1.091
local terms energy: -76.583847
where:
bonds (distance) C4'-P energy: -21.479
bonds (distance) P-C4' energy: -25.093
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -0.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -487.486825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.486825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.486825 (E_RNA)
where:
Base-Base interactions energy: -348.597
where: short stacking energy: -146.824
Base-Backbone interact. energy: -0.125
local terms energy: -148.765309
where:
bonds (distance) C4'-P energy: -26.974
bonds (distance) P-C4' energy: -27.567
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -18.367
tors. eta vs tors. theta energy: -45.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -481.799577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.799577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.799577 (E_RNA)
where:
Base-Base interactions energy: -347.567
where: short stacking energy: -140.169
Base-Backbone interact. energy: -0.679
local terms energy: -143.554061
where:
bonds (distance) C4'-P energy: -19.563
bonds (distance) P-C4' energy: -28.592
flat angles C4'-P-C4' energy: -27.992
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -44.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -483.304677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.304677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.304677 (E_RNA)
where:
Base-Base interactions energy: -349.126
where: short stacking energy: -148.219
Base-Backbone interact. energy: -0.026
local terms energy: -144.152125
where:
bonds (distance) C4'-P energy: -23.409
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -29.340
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: -44.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -474.939321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.939321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.939321 (E_RNA)
where:
Base-Base interactions energy: -333.300
where: short stacking energy: -139.043
Base-Backbone interact. energy: -0.017
local terms energy: -151.622928
where:
bonds (distance) C4'-P energy: -28.692
bonds (distance) P-C4' energy: -29.852
flat angles C4'-P-C4' energy: -31.894
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -42.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -464.700549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.700549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.700549 (E_RNA)
where:
Base-Base interactions energy: -330.698
where: short stacking energy: -141.118
Base-Backbone interact. energy: 0.011
local terms energy: -144.012853
where:
bonds (distance) C4'-P energy: -27.836
bonds (distance) P-C4' energy: -21.184
flat angles C4'-P-C4' energy: -28.205
flat angles P-C4'-P energy: -21.826
tors. eta vs tors. theta energy: -44.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -454.423324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.423324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.423324 (E_RNA)
where:
Base-Base interactions energy: -331.534
where: short stacking energy: -136.138
Base-Backbone interact. energy: -0.543
local terms energy: -132.346352
where:
bonds (distance) C4'-P energy: -26.072
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -24.861
flat angles P-C4'-P energy: -20.474
tors. eta vs tors. theta energy: -40.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -435.863521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.863521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.863521 (E_RNA)
where:
Base-Base interactions energy: -321.003
where: short stacking energy: -127.101
Base-Backbone interact. energy: -0.593
local terms energy: -124.268354
where:
bonds (distance) C4'-P energy: -21.468
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -26.501
flat angles P-C4'-P energy: -20.485
tors. eta vs tors. theta energy: -35.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -198.058838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.058838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.058838 (E_RNA)
where:
Base-Base interactions energy: -117.377
where: short stacking energy: -65.238
Base-Backbone interact. energy: -0.182
local terms energy: -90.500591
where:
bonds (distance) C4'-P energy: -22.412
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -12.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -135.900005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.900005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.900005 (E_RNA)
where:
Base-Base interactions energy: -72.846
where: short stacking energy: -38.196
Base-Backbone interact. energy: 0.703
local terms energy: -73.757173
where:
bonds (distance) C4'-P energy: -24.279
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -25.406
flat angles P-C4'-P energy: -9.001
tors. eta vs tors. theta energy: 8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -156.418109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.418109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.418109 (E_RNA)
where:
Base-Base interactions energy: -79.160
where: short stacking energy: -46.857
Base-Backbone interact. energy: -0.666
local terms energy: -86.592286
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -27.854
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -8.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -483.989832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.989832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.989832 (E_RNA)
where:
Base-Base interactions energy: -341.773
where: short stacking energy: -144.333
Base-Backbone interact. energy: -0.011
local terms energy: -152.205565
where:
bonds (distance) C4'-P energy: -30.843
bonds (distance) P-C4' energy: -26.946
flat angles C4'-P-C4' energy: -26.443
flat angles P-C4'-P energy: -20.667
tors. eta vs tors. theta energy: -47.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -495.285799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.285799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.285799 (E_RNA)
where:
Base-Base interactions energy: -348.441
where: short stacking energy: -143.196
Base-Backbone interact. energy: 1.442
local terms energy: -158.285912
where:
bonds (distance) C4'-P energy: -32.192
bonds (distance) P-C4' energy: -28.002
flat angles C4'-P-C4' energy: -29.646
flat angles P-C4'-P energy: -21.650
tors. eta vs tors. theta energy: -46.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -481.360934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.360934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.360934 (E_RNA)
where:
Base-Base interactions energy: -340.724
where: short stacking energy: -142.801
Base-Backbone interact. energy: -0.585
local terms energy: -150.052622
where:
bonds (distance) C4'-P energy: -23.974
bonds (distance) P-C4' energy: -30.164
flat angles C4'-P-C4' energy: -31.210
flat angles P-C4'-P energy: -19.210
tors. eta vs tors. theta energy: -45.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -477.611976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.611976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.611976 (E_RNA)
where:
Base-Base interactions energy: -342.029
where: short stacking energy: -146.416
Base-Backbone interact. energy: -0.732
local terms energy: -144.850789
where:
bonds (distance) C4'-P energy: -25.317
bonds (distance) P-C4' energy: -23.189
flat angles C4'-P-C4' energy: -31.604
flat angles P-C4'-P energy: -21.633
tors. eta vs tors. theta energy: -43.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -456.879301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.879301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.879301 (E_RNA)
where:
Base-Base interactions energy: -331.018
where: short stacking energy: -136.913
Base-Backbone interact. energy: 0.467
local terms energy: -136.329073
where:
bonds (distance) C4'-P energy: -26.933
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -30.095
flat angles P-C4'-P energy: -19.615
tors. eta vs tors. theta energy: -40.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -459.193020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.193020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.193020 (E_RNA)
where:
Base-Base interactions energy: -337.582
where: short stacking energy: -144.676
Base-Backbone interact. energy: -0.021
local terms energy: -131.589656
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -29.730
flat angles P-C4'-P energy: -18.085
tors. eta vs tors. theta energy: -45.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -424.107989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.107989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.107989 (E_RNA)
where:
Base-Base interactions energy: -299.320
where: short stacking energy: -124.971
Base-Backbone interact. energy: -0.343
local terms energy: -134.445457
where:
bonds (distance) C4'-P energy: -19.816
bonds (distance) P-C4' energy: -20.687
flat angles C4'-P-C4' energy: -33.231
flat angles P-C4'-P energy: -20.386
tors. eta vs tors. theta energy: -40.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -205.983933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.983933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.983933 (E_RNA)
where:
Base-Base interactions energy: -106.435
where: short stacking energy: -63.557
Base-Backbone interact. energy: 1.332
local terms energy: -110.880538
where:
bonds (distance) C4'-P energy: -29.281
bonds (distance) P-C4' energy: -24.881
flat angles C4'-P-C4' energy: -26.116
flat angles P-C4'-P energy: -17.334
tors. eta vs tors. theta energy: -13.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -208.652113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.652113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.652113 (E_RNA)
where:
Base-Base interactions energy: -122.575
where: short stacking energy: -51.776
Base-Backbone interact. energy: -0.184
local terms energy: -95.893303
where:
bonds (distance) C4'-P energy: -27.499
bonds (distance) P-C4' energy: -28.616
flat angles C4'-P-C4' energy: -21.811
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -6.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -115.866338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.866338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.866338 (E_RNA)
where:
Base-Base interactions energy: -46.513
where: short stacking energy: -26.364
Base-Backbone interact. energy: -0.630
local terms energy: -78.723674
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -28.057
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: 4.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -497.957209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.957209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.957209 (E_RNA)
where:
Base-Base interactions energy: -354.411
where: short stacking energy: -149.649
Base-Backbone interact. energy: -0.103
local terms energy: -153.442589
where:
bonds (distance) C4'-P energy: -27.141
bonds (distance) P-C4' energy: -30.600
flat angles C4'-P-C4' energy: -30.249
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -46.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -493.474345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.474345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.474345 (E_RNA)
where:
Base-Base interactions energy: -351.954
where: short stacking energy: -142.189
Base-Backbone interact. energy: -0.409
local terms energy: -151.110950
where:
bonds (distance) C4'-P energy: -30.187
bonds (distance) P-C4' energy: -27.844
flat angles C4'-P-C4' energy: -29.589
flat angles P-C4'-P energy: -19.152
tors. eta vs tors. theta energy: -44.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -484.883247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.883247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.883247 (E_RNA)
where:
Base-Base interactions energy: -347.082
where: short stacking energy: -134.420
Base-Backbone interact. energy: -0.392
local terms energy: -147.409341
where:
bonds (distance) C4'-P energy: -22.550
bonds (distance) P-C4' energy: -25.592
flat angles C4'-P-C4' energy: -32.318
flat angles P-C4'-P energy: -25.276
tors. eta vs tors. theta energy: -41.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -470.465007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.465007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.465007 (E_RNA)
where:
Base-Base interactions energy: -335.268
where: short stacking energy: -145.955
Base-Backbone interact. energy: -0.100
local terms energy: -145.096803
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -27.556
flat angles C4'-P-C4' energy: -31.409
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: -47.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -470.133798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.133798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.133798 (E_RNA)
where:
Base-Base interactions energy: -338.054
where: short stacking energy: -141.545
Base-Backbone interact. energy: -0.632
local terms energy: -141.447191
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -22.307
flat angles C4'-P-C4' energy: -30.678
flat angles P-C4'-P energy: -19.340
tors. eta vs tors. theta energy: -45.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -456.436760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.436760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.436760 (E_RNA)
where:
Base-Base interactions energy: -333.368
where: short stacking energy: -129.946
Base-Backbone interact. energy: -0.157
local terms energy: -132.912280
where:
bonds (distance) C4'-P energy: -22.759
bonds (distance) P-C4' energy: -29.899
flat angles C4'-P-C4' energy: -24.666
flat angles P-C4'-P energy: -15.784
tors. eta vs tors. theta energy: -39.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -438.865962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.865962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.865962 (E_RNA)
where:
Base-Base interactions energy: -312.386
where: short stacking energy: -128.583
Base-Backbone interact. energy: -0.429
local terms energy: -136.050470
where:
bonds (distance) C4'-P energy: -22.311
bonds (distance) P-C4' energy: -23.085
flat angles C4'-P-C4' energy: -27.865
flat angles P-C4'-P energy: -21.027
tors. eta vs tors. theta energy: -41.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -220.179734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.179734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.179734 (E_RNA)
where:
Base-Base interactions energy: -133.791
where: short stacking energy: -63.616
Base-Backbone interact. energy: -0.278
local terms energy: -96.110589
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -28.181
flat angles C4'-P-C4' energy: -25.504
flat angles P-C4'-P energy: -15.891
tors. eta vs tors. theta energy: -8.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -239.357609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.357609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.357609 (E_RNA)
where:
Base-Base interactions energy: -156.572
where: short stacking energy: -76.945
Base-Backbone interact. energy: -0.414
local terms energy: -92.371957
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -21.643
flat angles P-C4'-P energy: -16.668
tors. eta vs tors. theta energy: -14.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -109.260529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.260529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.260529 (E_RNA)
where:
Base-Base interactions energy: -47.345
where: short stacking energy: -30.810
Base-Backbone interact. energy: -0.675
local terms energy: -71.240715
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -23.272
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: 2.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -498.859707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.859707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.859707 (E_RNA)
where:
Base-Base interactions energy: -350.766
where: short stacking energy: -144.117
Base-Backbone interact. energy: -0.496
local terms energy: -157.597710
where:
bonds (distance) C4'-P energy: -27.179
bonds (distance) P-C4' energy: -27.599
flat angles C4'-P-C4' energy: -31.538
flat angles P-C4'-P energy: -24.285
tors. eta vs tors. theta energy: -46.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -492.888118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.888118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.888118 (E_RNA)
where:
Base-Base interactions energy: -350.797
where: short stacking energy: -138.695
Base-Backbone interact. energy: -0.281
local terms energy: -151.809861
where:
bonds (distance) C4'-P energy: -28.563
bonds (distance) P-C4' energy: -26.864
flat angles C4'-P-C4' energy: -30.857
flat angles P-C4'-P energy: -23.720
tors. eta vs tors. theta energy: -41.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -485.246398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.246398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.246398 (E_RNA)
where:
Base-Base interactions energy: -346.712
where: short stacking energy: -143.482
Base-Backbone interact. energy: -0.504
local terms energy: -148.031244
where:
bonds (distance) C4'-P energy: -31.203
bonds (distance) P-C4' energy: -24.149
flat angles C4'-P-C4' energy: -27.875
flat angles P-C4'-P energy: -22.796
tors. eta vs tors. theta energy: -42.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -474.227964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.227964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.227964 (E_RNA)
where:
Base-Base interactions energy: -338.967
where: short stacking energy: -128.235
Base-Backbone interact. energy: -0.899
local terms energy: -144.361513
where:
bonds (distance) C4'-P energy: -21.939
bonds (distance) P-C4' energy: -27.592
flat angles C4'-P-C4' energy: -30.771
flat angles P-C4'-P energy: -21.280
tors. eta vs tors. theta energy: -42.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -467.639078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.639078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.639078 (E_RNA)
where:
Base-Base interactions energy: -341.309
where: short stacking energy: -135.662
Base-Backbone interact. energy: 1.815
local terms energy: -138.144477
where:
bonds (distance) C4'-P energy: -27.869
bonds (distance) P-C4' energy: -24.453
flat angles C4'-P-C4' energy: -29.801
flat angles P-C4'-P energy: -16.601
tors. eta vs tors. theta energy: -39.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -446.996904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.996904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.996904 (E_RNA)
where:
Base-Base interactions energy: -322.315
where: short stacking energy: -129.388
Base-Backbone interact. energy: -0.668
local terms energy: -134.014099
where:
bonds (distance) C4'-P energy: -23.591
bonds (distance) P-C4' energy: -26.126
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -20.150
tors. eta vs tors. theta energy: -40.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -433.970822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.970822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.970822 (E_RNA)
where:
Base-Base interactions energy: -314.042
where: short stacking energy: -127.922
Base-Backbone interact. energy: -0.639
local terms energy: -129.289436
where:
bonds (distance) C4'-P energy: -22.359
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -25.633
flat angles P-C4'-P energy: -18.965
tors. eta vs tors. theta energy: -42.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -235.913082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.913082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.913082 (E_RNA)
where:
Base-Base interactions energy: -157.210
where: short stacking energy: -79.864
Base-Backbone interact. energy: -0.274
local terms energy: -88.429440
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -22.271
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -11.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -232.978276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.978276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.978276 (E_RNA)
where:
Base-Base interactions energy: -147.843
where: short stacking energy: -64.727
Base-Backbone interact. energy: 0.001
local terms energy: -95.136173
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -16.018
flat angles C4'-P-C4' energy: -26.025
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -144.422718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.422718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.422718 (E_RNA)
where:
Base-Base interactions energy: -65.756
where: short stacking energy: -50.171
Base-Backbone interact. energy: -1.886
local terms energy: -86.780628
where:
bonds (distance) C4'-P energy: -19.969
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -11.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -500.277948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.277948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.277948 (E_RNA)
where:
Base-Base interactions energy: -354.331
where: short stacking energy: -152.220
Base-Backbone interact. energy: -0.239
local terms energy: -155.707959
where:
bonds (distance) C4'-P energy: -32.145
bonds (distance) P-C4' energy: -28.195
flat angles C4'-P-C4' energy: -31.231
flat angles P-C4'-P energy: -18.793
tors. eta vs tors. theta energy: -45.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -475.767105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.767105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.767105 (E_RNA)
where:
Base-Base interactions energy: -344.441
where: short stacking energy: -154.689
Base-Backbone interact. energy: -0.384
local terms energy: -140.941959
where:
bonds (distance) C4'-P energy: -24.909
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -30.495
flat angles P-C4'-P energy: -23.369
tors. eta vs tors. theta energy: -43.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -488.433298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.433298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.433298 (E_RNA)
where:
Base-Base interactions energy: -343.647
where: short stacking energy: -152.514
Base-Backbone interact. energy: -0.640
local terms energy: -154.146102
where:
bonds (distance) C4'-P energy: -27.562
bonds (distance) P-C4' energy: -32.578
flat angles C4'-P-C4' energy: -32.253
flat angles P-C4'-P energy: -20.868
tors. eta vs tors. theta energy: -40.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -478.378094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.378094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.378094 (E_RNA)
where:
Base-Base interactions energy: -344.480
where: short stacking energy: -144.334
Base-Backbone interact. energy: 1.299
local terms energy: -145.196532
where:
bonds (distance) C4'-P energy: -27.042
bonds (distance) P-C4' energy: -24.475
flat angles C4'-P-C4' energy: -24.845
flat angles P-C4'-P energy: -26.088
tors. eta vs tors. theta energy: -42.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -463.433815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.433815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.433815 (E_RNA)
where:
Base-Base interactions energy: -329.033
where: short stacking energy: -130.276
Base-Backbone interact. energy: -0.524
local terms energy: -143.876815
where:
bonds (distance) C4'-P energy: -28.649
bonds (distance) P-C4' energy: -24.279
flat angles C4'-P-C4' energy: -27.923
flat angles P-C4'-P energy: -24.455
tors. eta vs tors. theta energy: -38.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -449.621442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.621442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.621442 (E_RNA)
where:
Base-Base interactions energy: -313.162
where: short stacking energy: -142.038
Base-Backbone interact. energy: -0.086
local terms energy: -146.373775
where:
bonds (distance) C4'-P energy: -23.267
bonds (distance) P-C4' energy: -25.471
flat angles C4'-P-C4' energy: -28.325
flat angles P-C4'-P energy: -24.418
tors. eta vs tors. theta energy: -44.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -444.950882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.950882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.950882 (E_RNA)
where:
Base-Base interactions energy: -315.895
where: short stacking energy: -135.926
Base-Backbone interact. energy: -0.010
local terms energy: -139.045496
where:
bonds (distance) C4'-P energy: -25.069
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -30.649
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -40.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -247.262166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.262166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.262166 (E_RNA)
where:
Base-Base interactions energy: -145.294
where: short stacking energy: -73.344
Base-Backbone interact. energy: -0.053
local terms energy: -111.914402
where:
bonds (distance) C4'-P energy: -25.971
bonds (distance) P-C4' energy: -29.712
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -16.896
tors. eta vs tors. theta energy: -16.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -214.602172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.602172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.602172 (E_RNA)
where:
Base-Base interactions energy: -146.565
where: short stacking energy: -70.727
Base-Backbone interact. energy: -0.881
local terms energy: -77.156335
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -22.892
flat angles P-C4'-P energy: -7.483
tors. eta vs tors. theta energy: -11.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -115.430598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.430598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.430598 (E_RNA)
where:
Base-Base interactions energy: -63.798
where: short stacking energy: -25.529
Base-Backbone interact. energy: -0.562
local terms energy: -61.071011
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -28.050
flat angles C4'-P-C4' energy: -13.655
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: 13.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -499.201601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.201601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.201601 (E_RNA)
where:
Base-Base interactions energy: -363.450
where: short stacking energy: -145.440
Base-Backbone interact. energy: -0.535
local terms energy: -145.216229
where:
bonds (distance) C4'-P energy: -22.229
bonds (distance) P-C4' energy: -28.963
flat angles C4'-P-C4' energy: -33.107
flat angles P-C4'-P energy: -21.458
tors. eta vs tors. theta energy: -39.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -487.155508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.155508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.155508 (E_RNA)
where:
Base-Base interactions energy: -335.932
where: short stacking energy: -138.457
Base-Backbone interact. energy: -0.115
local terms energy: -161.108318
where:
bonds (distance) C4'-P energy: -28.011
bonds (distance) P-C4' energy: -31.058
flat angles C4'-P-C4' energy: -31.525
flat angles P-C4'-P energy: -24.338
tors. eta vs tors. theta energy: -46.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -487.673798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.673798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.673798 (E_RNA)
where:
Base-Base interactions energy: -347.071
where: short stacking energy: -144.719
Base-Backbone interact. energy: 1.208
local terms energy: -151.810854
where:
bonds (distance) C4'-P energy: -25.977
bonds (distance) P-C4' energy: -31.598
flat angles C4'-P-C4' energy: -32.359
flat angles P-C4'-P energy: -18.208
tors. eta vs tors. theta energy: -43.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -480.379594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.379594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.379594 (E_RNA)
where:
Base-Base interactions energy: -341.095
where: short stacking energy: -143.349
Base-Backbone interact. energy: -0.160
local terms energy: -149.124813
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -25.542
flat angles C4'-P-C4' energy: -33.755
flat angles P-C4'-P energy: -21.210
tors. eta vs tors. theta energy: -45.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -467.824115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.824115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.824115 (E_RNA)
where:
Base-Base interactions energy: -337.708
where: short stacking energy: -138.706
Base-Backbone interact. energy: -0.008
local terms energy: -140.107769
where:
bonds (distance) C4'-P energy: -27.286
bonds (distance) P-C4' energy: -25.378
flat angles C4'-P-C4' energy: -27.743
flat angles P-C4'-P energy: -18.890
tors. eta vs tors. theta energy: -40.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -430.211442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.211442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.211442 (E_RNA)
where:
Base-Base interactions energy: -307.713
where: short stacking energy: -129.497
Base-Backbone interact. energy: -0.178
local terms energy: -132.320402
where:
bonds (distance) C4'-P energy: -22.451
bonds (distance) P-C4' energy: -23.413
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -37.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -437.420974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.420974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.420974 (E_RNA)
where:
Base-Base interactions energy: -324.558
where: short stacking energy: -139.141
Base-Backbone interact. energy: -0.248
local terms energy: -122.614470
where:
bonds (distance) C4'-P energy: -20.404
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -29.878
flat angles P-C4'-P energy: -20.163
tors. eta vs tors. theta energy: -39.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -177.694330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.694330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.694330 (E_RNA)
where:
Base-Base interactions energy: -79.504
where: short stacking energy: -46.823
Base-Backbone interact. energy: -0.816
local terms energy: -107.374646
where:
bonds (distance) C4'-P energy: -28.138
bonds (distance) P-C4' energy: -25.301
flat angles C4'-P-C4' energy: -28.726
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -5.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -239.706200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.706200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.706200 (E_RNA)
where:
Base-Base interactions energy: -147.836
where: short stacking energy: -72.215
Base-Backbone interact. energy: -0.866
local terms energy: -101.004057
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -24.766
flat angles C4'-P-C4' energy: -29.377
flat angles P-C4'-P energy: -22.032
tors. eta vs tors. theta energy: -8.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -140.529580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.529580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.529580 (E_RNA)
where:
Base-Base interactions energy: -64.556
where: short stacking energy: -35.724
Base-Backbone interact. energy: 0.300
local terms energy: -86.273845
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -25.047
flat angles C4'-P-C4' energy: -21.868
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: 1.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -498.615156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.615156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.615156 (E_RNA)
where:
Base-Base interactions energy: -366.102
where: short stacking energy: -143.201
Base-Backbone interact. energy: 1.059
local terms energy: -143.571951
where:
bonds (distance) C4'-P energy: -24.777
bonds (distance) P-C4' energy: -23.541
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -21.558
tors. eta vs tors. theta energy: -43.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -489.430417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.430417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.430417 (E_RNA)
where:
Base-Base interactions energy: -348.362
where: short stacking energy: -154.381
Base-Backbone interact. energy: -0.047
local terms energy: -151.020912
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -28.973
flat angles C4'-P-C4' energy: -28.578
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -46.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -479.038074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.038074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.038074 (E_RNA)
where:
Base-Base interactions energy: -340.485
where: short stacking energy: -148.581
Base-Backbone interact. energy: -0.168
local terms energy: -148.385580
where:
bonds (distance) C4'-P energy: -25.735
bonds (distance) P-C4' energy: -27.482
flat angles C4'-P-C4' energy: -27.817
flat angles P-C4'-P energy: -24.964
tors. eta vs tors. theta energy: -42.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -481.317931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.317931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.317931 (E_RNA)
where:
Base-Base interactions energy: -341.490
where: short stacking energy: -141.085
Base-Backbone interact. energy: -0.868
local terms energy: -148.959717
where:
bonds (distance) C4'-P energy: -27.025
bonds (distance) P-C4' energy: -23.990
flat angles C4'-P-C4' energy: -30.418
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -43.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -462.344806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.344806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.344806 (E_RNA)
where:
Base-Base interactions energy: -325.187
where: short stacking energy: -137.760
Base-Backbone interact. energy: -0.124
local terms energy: -147.034428
where:
bonds (distance) C4'-P energy: -25.019
bonds (distance) P-C4' energy: -30.277
flat angles C4'-P-C4' energy: -30.317
flat angles P-C4'-P energy: -22.671
tors. eta vs tors. theta energy: -38.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -447.082562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.082562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.082562 (E_RNA)
where:
Base-Base interactions energy: -313.501
where: short stacking energy: -129.897
Base-Backbone interact. energy: -0.293
local terms energy: -143.289457
where:
bonds (distance) C4'-P energy: -25.049
bonds (distance) P-C4' energy: -31.143
flat angles C4'-P-C4' energy: -26.259
flat angles P-C4'-P energy: -19.194
tors. eta vs tors. theta energy: -41.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -427.482493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.482493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.482493 (E_RNA)
where:
Base-Base interactions energy: -312.959
where: short stacking energy: -126.472
Base-Backbone interact. energy: 0.726
local terms energy: -125.249522
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -29.149
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: -34.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -208.505960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.505960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.505960 (E_RNA)
where:
Base-Base interactions energy: -118.617
where: short stacking energy: -68.385
Base-Backbone interact. energy: -0.417
local terms energy: -99.472620
where:
bonds (distance) C4'-P energy: -21.235
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -28.871
flat angles P-C4'-P energy: -24.060
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -239.955702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.955702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.955702 (E_RNA)
where:
Base-Base interactions energy: -146.875
where: short stacking energy: -78.658
Base-Backbone interact. energy: 1.280
local terms energy: -104.360707
where:
bonds (distance) C4'-P energy: -25.678
bonds (distance) P-C4' energy: -28.311
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -19.440
tors. eta vs tors. theta energy: -12.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -119.131694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.131694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.131694 (E_RNA)
where:
Base-Base interactions energy: -53.492
where: short stacking energy: -46.753
Base-Backbone interact. energy: -0.911
local terms energy: -74.728275
where:
bonds (distance) C4'-P energy: -12.768
bonds (distance) P-C4' energy: -27.368
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -11.123
tors. eta vs tors. theta energy: -4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -496.760042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.760042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.760042 (E_RNA)
where:
Base-Base interactions energy: -360.469
where: short stacking energy: -153.065
Base-Backbone interact. energy: -0.342
local terms energy: -145.949121
where:
bonds (distance) C4'-P energy: -27.619
bonds (distance) P-C4' energy: -25.825
flat angles C4'-P-C4' energy: -26.897
flat angles P-C4'-P energy: -19.233
tors. eta vs tors. theta energy: -46.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -494.360696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.360696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.360696 (E_RNA)
where:
Base-Base interactions energy: -352.443
where: short stacking energy: -145.948
Base-Backbone interact. energy: -0.180
local terms energy: -151.738278
where:
bonds (distance) C4'-P energy: -22.244
bonds (distance) P-C4' energy: -28.466
flat angles C4'-P-C4' energy: -32.826
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -44.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -474.957163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.957163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.957163 (E_RNA)
where:
Base-Base interactions energy: -334.361
where: short stacking energy: -143.751
Base-Backbone interact. energy: 0.344
local terms energy: -150.940330
where:
bonds (distance) C4'-P energy: -25.832
bonds (distance) P-C4' energy: -29.401
flat angles C4'-P-C4' energy: -32.005
flat angles P-C4'-P energy: -18.289
tors. eta vs tors. theta energy: -45.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -467.011623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.011623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.011623 (E_RNA)
where:
Base-Base interactions energy: -336.960
where: short stacking energy: -133.238
Base-Backbone interact. energy: -0.196
local terms energy: -139.855622
where:
bonds (distance) C4'-P energy: -24.047
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -29.944
flat angles P-C4'-P energy: -20.201
tors. eta vs tors. theta energy: -41.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -465.659983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.659983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.659983 (E_RNA)
where:
Base-Base interactions energy: -345.949
where: short stacking energy: -136.614
Base-Backbone interact. energy: -0.464
local terms energy: -129.247611
where:
bonds (distance) C4'-P energy: -24.401
bonds (distance) P-C4' energy: -20.417
flat angles C4'-P-C4' energy: -24.689
flat angles P-C4'-P energy: -17.322
tors. eta vs tors. theta energy: -42.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -449.605949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.605949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.605949 (E_RNA)
where:
Base-Base interactions energy: -323.658
where: short stacking energy: -128.545
Base-Backbone interact. energy: -0.183
local terms energy: -135.764136
where:
bonds (distance) C4'-P energy: -29.789
bonds (distance) P-C4' energy: -24.429
flat angles C4'-P-C4' energy: -22.467
flat angles P-C4'-P energy: -20.650
tors. eta vs tors. theta energy: -38.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -439.147567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.147567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.147567 (E_RNA)
where:
Base-Base interactions energy: -309.437
where: short stacking energy: -126.492
Base-Backbone interact. energy: -0.458
local terms energy: -139.252514
where:
bonds (distance) C4'-P energy: -24.666
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -19.481
tors. eta vs tors. theta energy: -41.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -244.739440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.739440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.739440 (E_RNA)
where:
Base-Base interactions energy: -146.863
where: short stacking energy: -74.231
Base-Backbone interact. energy: -0.338
local terms energy: -107.538539
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -26.521
flat angles C4'-P-C4' energy: -28.872
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -13.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -211.682208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.682208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.682208 (E_RNA)
where:
Base-Base interactions energy: -130.925
where: short stacking energy: -72.397
Base-Backbone interact. energy: 0.835
local terms energy: -91.591775
where:
bonds (distance) C4'-P energy: -21.452
bonds (distance) P-C4' energy: -22.254
flat angles C4'-P-C4' energy: -23.126
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -12.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -129.752879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.752879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.752879 (E_RNA)
where:
Base-Base interactions energy: -61.705
where: short stacking energy: -43.399
Base-Backbone interact. energy: -0.591
local terms energy: -77.456613
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -27.484
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: 1.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -496.535029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.535029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.535029 (E_RNA)
where:
Base-Base interactions energy: -359.462
where: short stacking energy: -145.815
Base-Backbone interact. energy: -0.772
local terms energy: -146.301047
where:
bonds (distance) C4'-P energy: -26.386
bonds (distance) P-C4' energy: -24.404
flat angles C4'-P-C4' energy: -30.055
flat angles P-C4'-P energy: -20.212
tors. eta vs tors. theta energy: -45.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -484.451749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.451749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.451749 (E_RNA)
where:
Base-Base interactions energy: -341.648
where: short stacking energy: -143.004
Base-Backbone interact. energy: -0.590
local terms energy: -152.214440
where:
bonds (distance) C4'-P energy: -27.388
bonds (distance) P-C4' energy: -30.237
flat angles C4'-P-C4' energy: -27.755
flat angles P-C4'-P energy: -23.087
tors. eta vs tors. theta energy: -43.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -461.433359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.433359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.433359 (E_RNA)
where:
Base-Base interactions energy: -328.715
where: short stacking energy: -141.575
Base-Backbone interact. energy: -0.110
local terms energy: -142.608214
where:
bonds (distance) C4'-P energy: -21.326
bonds (distance) P-C4' energy: -29.304
flat angles C4'-P-C4' energy: -30.060
flat angles P-C4'-P energy: -20.038
tors. eta vs tors. theta energy: -41.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -471.259287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.259287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.259287 (E_RNA)
where:
Base-Base interactions energy: -340.968
where: short stacking energy: -145.062
Base-Backbone interact. energy: -0.013
local terms energy: -140.279235
where:
bonds (distance) C4'-P energy: -18.806
bonds (distance) P-C4' energy: -28.825
flat angles C4'-P-C4' energy: -25.980
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -45.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -467.695377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.695377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.695377 (E_RNA)
where:
Base-Base interactions energy: -327.022
where: short stacking energy: -136.387
Base-Backbone interact. energy: -0.449
local terms energy: -150.223853
where:
bonds (distance) C4'-P energy: -27.715
bonds (distance) P-C4' energy: -29.864
flat angles C4'-P-C4' energy: -30.894
flat angles P-C4'-P energy: -21.325
tors. eta vs tors. theta energy: -40.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -450.672053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.672053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.672053 (E_RNA)
where:
Base-Base interactions energy: -328.545
where: short stacking energy: -144.789
Base-Backbone interact. energy: -0.147
local terms energy: -131.979578
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -23.971
flat angles C4'-P-C4' energy: -27.569
flat angles P-C4'-P energy: -15.832
tors. eta vs tors. theta energy: -43.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -448.749067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.749067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.749067 (E_RNA)
where:
Base-Base interactions energy: -331.135
where: short stacking energy: -139.801
Base-Backbone interact. energy: -0.049
local terms energy: -127.565257
where:
bonds (distance) C4'-P energy: -25.759
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -26.296
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -45.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -250.771866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.771866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.771866 (E_RNA)
where:
Base-Base interactions energy: -151.478
where: short stacking energy: -71.221
Base-Backbone interact. energy: -0.955
local terms energy: -108.339102
where:
bonds (distance) C4'-P energy: -20.816
bonds (distance) P-C4' energy: -26.536
flat angles C4'-P-C4' energy: -26.636
flat angles P-C4'-P energy: -21.532
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -192.505852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.505852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.505852 (E_RNA)
where:
Base-Base interactions energy: -109.048
where: short stacking energy: -53.511
Base-Backbone interact. energy: 0.235
local terms energy: -93.692267
where:
bonds (distance) C4'-P energy: -26.241
bonds (distance) P-C4' energy: -26.340
flat angles C4'-P-C4' energy: -21.999
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -164.117660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.117660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.117660 (E_RNA)
where:
Base-Base interactions energy: -85.284
where: short stacking energy: -54.038
Base-Backbone interact. energy: -0.238
local terms energy: -88.595687
where:
bonds (distance) C4'-P energy: -21.447
bonds (distance) P-C4' energy: -27.282
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -11.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -493.259211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.259211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.259211 (E_RNA)
where:
Base-Base interactions energy: -351.885
where: short stacking energy: -152.201
Base-Backbone interact. energy: -0.011
local terms energy: -151.362884
where:
bonds (distance) C4'-P energy: -26.784
bonds (distance) P-C4' energy: -28.562
flat angles C4'-P-C4' energy: -29.684
flat angles P-C4'-P energy: -21.563
tors. eta vs tors. theta energy: -44.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -490.472200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.472200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.472200 (E_RNA)
where:
Base-Base interactions energy: -344.764
where: short stacking energy: -148.634
Base-Backbone interact. energy: -0.330
local terms energy: -155.378950
where:
bonds (distance) C4'-P energy: -24.125
bonds (distance) P-C4' energy: -31.331
flat angles C4'-P-C4' energy: -31.294
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: -45.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -477.412996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.412996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.412996 (E_RNA)
where:
Base-Base interactions energy: -343.559
where: short stacking energy: -135.988
Base-Backbone interact. energy: -0.075
local terms energy: -143.779007
where:
bonds (distance) C4'-P energy: -25.086
bonds (distance) P-C4' energy: -24.621
flat angles C4'-P-C4' energy: -31.166
flat angles P-C4'-P energy: -22.068
tors. eta vs tors. theta energy: -40.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -471.885088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.885088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.885088 (E_RNA)
where:
Base-Base interactions energy: -345.657
where: short stacking energy: -138.280
Base-Backbone interact. energy: -0.187
local terms energy: -136.040795
where:
bonds (distance) C4'-P energy: -25.401
bonds (distance) P-C4' energy: -25.098
flat angles C4'-P-C4' energy: -25.768
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -41.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -476.574055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.574055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.574055 (E_RNA)
where:
Base-Base interactions energy: -343.785
where: short stacking energy: -148.014
Base-Backbone interact. energy: -0.117
local terms energy: -142.671967
where:
bonds (distance) C4'-P energy: -25.256
bonds (distance) P-C4' energy: -23.420
flat angles C4'-P-C4' energy: -28.662
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: -44.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -439.764093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.764093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.764093 (E_RNA)
where:
Base-Base interactions energy: -321.342
where: short stacking energy: -133.195
Base-Backbone interact. energy: -0.614
local terms energy: -127.808129
where:
bonds (distance) C4'-P energy: -24.408
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -24.763
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -41.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -451.949374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.949374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.949374 (E_RNA)
where:
Base-Base interactions energy: -329.601
where: short stacking energy: -128.733
Base-Backbone interact. energy: -0.322
local terms energy: -132.025962
where:
bonds (distance) C4'-P energy: -22.291
bonds (distance) P-C4' energy: -24.999
flat angles C4'-P-C4' energy: -27.656
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -39.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -196.435403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.435403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.435403 (E_RNA)
where:
Base-Base interactions energy: -105.476
where: short stacking energy: -57.272
Base-Backbone interact. energy: -0.413
local terms energy: -100.546365
where:
bonds (distance) C4'-P energy: -20.452
bonds (distance) P-C4' energy: -27.198
flat angles C4'-P-C4' energy: -25.902
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -11.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -247.425631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.425631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.425631 (E_RNA)
where:
Base-Base interactions energy: -160.651
where: short stacking energy: -74.152
Base-Backbone interact. energy: -1.200
local terms energy: -95.574718
where:
bonds (distance) C4'-P energy: -24.121
bonds (distance) P-C4' energy: -23.076
flat angles C4'-P-C4' energy: -20.205
flat angles P-C4'-P energy: -17.953
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -174.142303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.142303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.142303 (E_RNA)
where:
Base-Base interactions energy: -115.323
where: short stacking energy: -59.255
Base-Backbone interact. energy: 5.899
local terms energy: -74.718314
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -21.269
flat angles C4'-P-C4' energy: -17.912
flat angles P-C4'-P energy: -15.932
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -499.259424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.259424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.259424 (E_RNA)
where:
Base-Base interactions energy: -354.852
where: short stacking energy: -152.233
Base-Backbone interact. energy: -0.006
local terms energy: -154.401432
where:
bonds (distance) C4'-P energy: -26.747
bonds (distance) P-C4' energy: -25.484
flat angles C4'-P-C4' energy: -31.982
flat angles P-C4'-P energy: -25.323
tors. eta vs tors. theta energy: -44.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -479.897135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.897135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.897135 (E_RNA)
where:
Base-Base interactions energy: -350.656
where: short stacking energy: -144.623
Base-Backbone interact. energy: -0.022
local terms energy: -139.219135
where:
bonds (distance) C4'-P energy: -22.151
bonds (distance) P-C4' energy: -27.000
flat angles C4'-P-C4' energy: -26.762
flat angles P-C4'-P energy: -22.121
tors. eta vs tors. theta energy: -41.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -474.746649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.746649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.746649 (E_RNA)
where:
Base-Base interactions energy: -331.771
where: short stacking energy: -134.272
Base-Backbone interact. energy: -0.005
local terms energy: -152.970818
where:
bonds (distance) C4'-P energy: -26.448
bonds (distance) P-C4' energy: -30.748
flat angles C4'-P-C4' energy: -27.967
flat angles P-C4'-P energy: -24.141
tors. eta vs tors. theta energy: -43.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -458.498672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.498672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.498672 (E_RNA)
where:
Base-Base interactions energy: -334.319
where: short stacking energy: -139.339
Base-Backbone interact. energy: -0.898
local terms energy: -133.281408
where:
bonds (distance) C4'-P energy: -24.454
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -28.108
flat angles P-C4'-P energy: -18.738
tors. eta vs tors. theta energy: -42.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -466.215060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.215060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.215060 (E_RNA)
where:
Base-Base interactions energy: -335.135
where: short stacking energy: -136.454
Base-Backbone interact. energy: -0.003
local terms energy: -141.076409
where:
bonds (distance) C4'-P energy: -21.453
bonds (distance) P-C4' energy: -26.582
flat angles C4'-P-C4' energy: -29.021
flat angles P-C4'-P energy: -22.521
tors. eta vs tors. theta energy: -41.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -456.696544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.696544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.696544 (E_RNA)
where:
Base-Base interactions energy: -334.867
where: short stacking energy: -131.419
Base-Backbone interact. energy: -0.023
local terms energy: -131.807352
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -24.702
flat angles C4'-P-C4' energy: -28.417
flat angles P-C4'-P energy: -17.486
tors. eta vs tors. theta energy: -42.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -451.120209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.120209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.120209 (E_RNA)
where:
Base-Base interactions energy: -320.212
where: short stacking energy: -130.495
Base-Backbone interact. energy: -0.623
local terms energy: -140.285681
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -27.746
flat angles C4'-P-C4' energy: -29.159
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: -40.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -189.141658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.141658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.141658 (E_RNA)
where:
Base-Base interactions energy: -102.924
where: short stacking energy: -49.011
Base-Backbone interact. energy: -0.307
local terms energy: -95.910940
where:
bonds (distance) C4'-P energy: -23.009
bonds (distance) P-C4' energy: -26.456
flat angles C4'-P-C4' energy: -22.177
flat angles P-C4'-P energy: -19.740
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -247.657538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.657538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.657538 (E_RNA)
where:
Base-Base interactions energy: -164.933
where: short stacking energy: -72.019
Base-Backbone interact. energy: -1.380
local terms energy: -91.344732
where:
bonds (distance) C4'-P energy: -22.317
bonds (distance) P-C4' energy: -26.800
flat angles C4'-P-C4' energy: -23.189
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -131.825165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.825165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.825165 (E_RNA)
where:
Base-Base interactions energy: -59.157
where: short stacking energy: -45.974
Base-Backbone interact. energy: -0.541
local terms energy: -82.127020
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -24.400
flat angles C4'-P-C4' energy: -20.381
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -4.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -492.696251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.696251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.696251 (E_RNA)
where:
Base-Base interactions energy: -354.976
where: short stacking energy: -146.708
Base-Backbone interact. energy: -0.010
local terms energy: -147.709918
where:
bonds (distance) C4'-P energy: -26.988
bonds (distance) P-C4' energy: -24.831
flat angles C4'-P-C4' energy: -28.643
flat angles P-C4'-P energy: -22.373
tors. eta vs tors. theta energy: -44.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -481.746196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.746196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.746196 (E_RNA)
where:
Base-Base interactions energy: -347.412
where: short stacking energy: -147.030
Base-Backbone interact. energy: -0.973
local terms energy: -143.361118
where:
bonds (distance) C4'-P energy: -28.370
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -27.647
flat angles P-C4'-P energy: -22.405
tors. eta vs tors. theta energy: -43.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -498.919695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.919695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.919695 (E_RNA)
where:
Base-Base interactions energy: -350.008
where: short stacking energy: -152.631
Base-Backbone interact. energy: -0.016
local terms energy: -158.895937
where:
bonds (distance) C4'-P energy: -27.807
bonds (distance) P-C4' energy: -31.873
flat angles C4'-P-C4' energy: -33.550
flat angles P-C4'-P energy: -21.892
tors. eta vs tors. theta energy: -43.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -466.611458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.611458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.611458 (E_RNA)
where:
Base-Base interactions energy: -332.227
where: short stacking energy: -134.696
Base-Backbone interact. energy: -0.474
local terms energy: -143.910915
where:
bonds (distance) C4'-P energy: -26.548
bonds (distance) P-C4' energy: -28.598
flat angles C4'-P-C4' energy: -26.249
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -38.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -447.327164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.327164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.327164 (E_RNA)
where:
Base-Base interactions energy: -318.571
where: short stacking energy: -130.956
Base-Backbone interact. energy: -0.109
local terms energy: -138.647274
where:
bonds (distance) C4'-P energy: -25.523
bonds (distance) P-C4' energy: -28.292
flat angles C4'-P-C4' energy: -27.847
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -41.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -451.177335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.177335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.177335 (E_RNA)
where:
Base-Base interactions energy: -328.813
where: short stacking energy: -133.892
Base-Backbone interact. energy: -0.319
local terms energy: -132.044489
where:
bonds (distance) C4'-P energy: -24.523
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -22.527
flat angles P-C4'-P energy: -20.201
tors. eta vs tors. theta energy: -40.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -447.548599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.548599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.548599 (E_RNA)
where:
Base-Base interactions energy: -325.303
where: short stacking energy: -130.066
Base-Backbone interact. energy: -0.343
local terms energy: -131.902090
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -28.782
flat angles C4'-P-C4' energy: -27.525
flat angles P-C4'-P energy: -16.185
tors. eta vs tors. theta energy: -43.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -258.663386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.663386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.663386 (E_RNA)
where:
Base-Base interactions energy: -177.740
where: short stacking energy: -67.888
Base-Backbone interact. energy: -0.146
local terms energy: -90.776959
where:
bonds (distance) C4'-P energy: -19.535
bonds (distance) P-C4' energy: -28.899
flat angles C4'-P-C4' energy: -22.904
flat angles P-C4'-P energy: -6.166
tors. eta vs tors. theta energy: -13.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -186.668647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.668647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.668647 (E_RNA)
where:
Base-Base interactions energy: -115.591
where: short stacking energy: -65.987
Base-Backbone interact. energy: 0.757
local terms energy: -81.834680
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -13.990
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -7.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -127.161361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.161361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.161361 (E_RNA)
where:
Base-Base interactions energy: -60.093
where: short stacking energy: -38.415
Base-Backbone interact. energy: 0.135
local terms energy: -77.203972
where:
bonds (distance) C4'-P energy: -21.569
bonds (distance) P-C4' energy: -24.341
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -503.437073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.437073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.437073 (E_RNA)
where:
Base-Base interactions energy: -355.707
where: short stacking energy: -153.506
Base-Backbone interact. energy: -0.005
local terms energy: -157.725024
where:
bonds (distance) C4'-P energy: -25.817
bonds (distance) P-C4' energy: -29.866
flat angles C4'-P-C4' energy: -33.382
flat angles P-C4'-P energy: -22.772
tors. eta vs tors. theta energy: -45.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -491.139600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.139600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.139600 (E_RNA)
where:
Base-Base interactions energy: -355.451
where: short stacking energy: -153.381
Base-Backbone interact. energy: -0.109
local terms energy: -145.580523
where:
bonds (distance) C4'-P energy: -20.682
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -30.419
flat angles P-C4'-P energy: -22.421
tors. eta vs tors. theta energy: -47.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -477.407823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.407823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.407823 (E_RNA)
where:
Base-Base interactions energy: -351.684
where: short stacking energy: -139.579
Base-Backbone interact. energy: -0.532
local terms energy: -135.191876
where:
bonds (distance) C4'-P energy: -21.737
bonds (distance) P-C4' energy: -27.507
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -23.913
tors. eta vs tors. theta energy: -37.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -474.919243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.919243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.919243 (E_RNA)
where:
Base-Base interactions energy: -338.199
where: short stacking energy: -149.004
Base-Backbone interact. energy: -0.124
local terms energy: -146.595631
where:
bonds (distance) C4'-P energy: -24.361
bonds (distance) P-C4' energy: -27.251
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -21.845
tors. eta vs tors. theta energy: -46.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -473.603872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.603872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.603872 (E_RNA)
where:
Base-Base interactions energy: -339.045
where: short stacking energy: -140.900
Base-Backbone interact. energy: -0.602
local terms energy: -143.957171
where:
bonds (distance) C4'-P energy: -30.422
bonds (distance) P-C4' energy: -23.867
flat angles C4'-P-C4' energy: -23.130
flat angles P-C4'-P energy: -21.056
tors. eta vs tors. theta energy: -45.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -456.856350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.856350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.856350 (E_RNA)
where:
Base-Base interactions energy: -327.563
where: short stacking energy: -144.233
Base-Backbone interact. energy: -0.004
local terms energy: -139.289617
where:
bonds (distance) C4'-P energy: -24.492
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -28.129
flat angles P-C4'-P energy: -21.888
tors. eta vs tors. theta energy: -41.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -432.317675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.317675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.317675 (E_RNA)
where:
Base-Base interactions energy: -315.949
where: short stacking energy: -128.879
Base-Backbone interact. energy: -0.256
local terms energy: -126.112846
where:
bonds (distance) C4'-P energy: -18.608
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -27.650
flat angles P-C4'-P energy: -19.108
tors. eta vs tors. theta energy: -40.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -262.783859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.783859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.783859 (E_RNA)
where:
Base-Base interactions energy: -170.745
where: short stacking energy: -83.322
Base-Backbone interact. energy: -2.503
local terms energy: -99.534966
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -26.466
flat angles C4'-P-C4' energy: -25.747
flat angles P-C4'-P energy: -17.703
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -150.735412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.735412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.735412 (E_RNA)
where:
Base-Base interactions energy: -73.926
where: short stacking energy: -58.935
Base-Backbone interact. energy: -0.956
local terms energy: -85.854255
where:
bonds (distance) C4'-P energy: -26.276
bonds (distance) P-C4' energy: -23.117
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -135.252027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.252027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.252027 (E_RNA)
where:
Base-Base interactions energy: -59.831
where: short stacking energy: -42.345
Base-Backbone interact. energy: -0.076
local terms energy: -85.344679
where:
bonds (distance) C4'-P energy: -19.745
bonds (distance) P-C4' energy: -28.701
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -17.679
tors. eta vs tors. theta energy: -1.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -493.957359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.957359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.957359 (E_RNA)
where:
Base-Base interactions energy: -357.165
where: short stacking energy: -143.053
Base-Backbone interact. energy: -0.116
local terms energy: -146.676133
where:
bonds (distance) C4'-P energy: -20.338
bonds (distance) P-C4' energy: -28.477
flat angles C4'-P-C4' energy: -33.495
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -43.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -489.824711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.824711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.824711 (E_RNA)
where:
Base-Base interactions energy: -350.214
where: short stacking energy: -150.452
Base-Backbone interact. energy: -0.008
local terms energy: -149.603392
where:
bonds (distance) C4'-P energy: -25.198
bonds (distance) P-C4' energy: -25.148
flat angles C4'-P-C4' energy: -31.558
flat angles P-C4'-P energy: -21.136
tors. eta vs tors. theta energy: -46.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -478.574392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.574392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.574392 (E_RNA)
where:
Base-Base interactions energy: -348.935
where: short stacking energy: -129.258
Base-Backbone interact. energy: -0.582
local terms energy: -139.057492
where:
bonds (distance) C4'-P energy: -22.448
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -31.226
flat angles P-C4'-P energy: -20.467
tors. eta vs tors. theta energy: -38.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -481.821251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.821251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.821251 (E_RNA)
where:
Base-Base interactions energy: -347.181
where: short stacking energy: -142.839
Base-Backbone interact. energy: -0.066
local terms energy: -144.574498
where:
bonds (distance) C4'-P energy: -26.590
bonds (distance) P-C4' energy: -30.129
flat angles C4'-P-C4' energy: -29.487
flat angles P-C4'-P energy: -15.716
tors. eta vs tors. theta energy: -42.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -472.597276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.597276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.597276 (E_RNA)
where:
Base-Base interactions energy: -337.989
where: short stacking energy: -142.095
Base-Backbone interact. energy: -0.003
local terms energy: -144.605244
where:
bonds (distance) C4'-P energy: -25.321
bonds (distance) P-C4' energy: -24.264
flat angles C4'-P-C4' energy: -26.930
flat angles P-C4'-P energy: -24.196
tors. eta vs tors. theta energy: -43.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -451.801513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.801513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.801513 (E_RNA)
where:
Base-Base interactions energy: -315.948
where: short stacking energy: -134.719
Base-Backbone interact. energy: -0.393
local terms energy: -145.460655
where:
bonds (distance) C4'-P energy: -22.586
bonds (distance) P-C4' energy: -28.326
flat angles C4'-P-C4' energy: -30.830
flat angles P-C4'-P energy: -20.045
tors. eta vs tors. theta energy: -43.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -444.179570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.179570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.179570 (E_RNA)
where:
Base-Base interactions energy: -317.107
where: short stacking energy: -132.715
Base-Backbone interact. energy: -0.029
local terms energy: -137.043169
where:
bonds (distance) C4'-P energy: -25.550
bonds (distance) P-C4' energy: -21.988
flat angles C4'-P-C4' energy: -28.867
flat angles P-C4'-P energy: -16.163
tors. eta vs tors. theta energy: -44.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -272.132226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.132226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.132226 (E_RNA)
where:
Base-Base interactions energy: -171.901
where: short stacking energy: -80.883
Base-Backbone interact. energy: -0.683
local terms energy: -109.548050
where:
bonds (distance) C4'-P energy: -21.568
bonds (distance) P-C4' energy: -26.400
flat angles C4'-P-C4' energy: -23.031
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -19.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -145.823126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.823126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.823126 (E_RNA)
where:
Base-Base interactions energy: -53.206
where: short stacking energy: -52.690
Base-Backbone interact. energy: 2.148
local terms energy: -104.765326
where:
bonds (distance) C4'-P energy: -24.578
bonds (distance) P-C4' energy: -26.444
flat angles C4'-P-C4' energy: -30.178
flat angles P-C4'-P energy: -18.410
tors. eta vs tors. theta energy: -5.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -110.489800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.489800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.489800 (E_RNA)
where:
Base-Base interactions energy: -35.074
where: short stacking energy: -34.162
Base-Backbone interact. energy: -0.339
local terms energy: -85.077594
where:
bonds (distance) C4'-P energy: -23.254
bonds (distance) P-C4' energy: -23.377
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -498.592912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.592912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.592912 (E_RNA)
where:
Base-Base interactions energy: -365.091
where: short stacking energy: -153.542
Base-Backbone interact. energy: -0.086
local terms energy: -143.415953
where:
bonds (distance) C4'-P energy: -26.312
bonds (distance) P-C4' energy: -22.329
flat angles C4'-P-C4' energy: -31.179
flat angles P-C4'-P energy: -20.794
tors. eta vs tors. theta energy: -42.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -484.923296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.923296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.923296 (E_RNA)
where:
Base-Base interactions energy: -349.466
where: short stacking energy: -151.769
Base-Backbone interact. energy: -0.123
local terms energy: -145.334421
where:
bonds (distance) C4'-P energy: -25.973
bonds (distance) P-C4' energy: -24.255
flat angles C4'-P-C4' energy: -30.626
flat angles P-C4'-P energy: -23.580
tors. eta vs tors. theta energy: -40.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -486.081159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.081159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.081159 (E_RNA)
where:
Base-Base interactions energy: -347.625
where: short stacking energy: -146.525
Base-Backbone interact. energy: -0.634
local terms energy: -147.822464
where:
bonds (distance) C4'-P energy: -24.162
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -30.447
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -44.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -476.749456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.749456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.749456 (E_RNA)
where:
Base-Base interactions energy: -349.192
where: short stacking energy: -143.266
Base-Backbone interact. energy: -0.257
local terms energy: -137.300437
where:
bonds (distance) C4'-P energy: -22.156
bonds (distance) P-C4' energy: -23.893
flat angles C4'-P-C4' energy: -30.241
flat angles P-C4'-P energy: -20.237
tors. eta vs tors. theta energy: -40.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -469.970672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.970672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.970672 (E_RNA)
where:
Base-Base interactions energy: -328.429
where: short stacking energy: -138.548
Base-Backbone interact. energy: -0.113
local terms energy: -151.427826
where:
bonds (distance) C4'-P energy: -23.459
bonds (distance) P-C4' energy: -28.103
flat angles C4'-P-C4' energy: -32.137
flat angles P-C4'-P energy: -21.896
tors. eta vs tors. theta energy: -45.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -448.997130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.997130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.997130 (E_RNA)
where:
Base-Base interactions energy: -315.850
where: short stacking energy: -135.428
Base-Backbone interact. energy: -0.796
local terms energy: -142.350904
where:
bonds (distance) C4'-P energy: -28.658
bonds (distance) P-C4' energy: -25.713
flat angles C4'-P-C4' energy: -24.780
flat angles P-C4'-P energy: -22.097
tors. eta vs tors. theta energy: -41.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -440.683117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.683117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.683117 (E_RNA)
where:
Base-Base interactions energy: -315.577
where: short stacking energy: -133.076
Base-Backbone interact. energy: -0.062
local terms energy: -135.044322
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -22.087
flat angles C4'-P-C4' energy: -28.368
flat angles P-C4'-P energy: -22.181
tors. eta vs tors. theta energy: -39.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -283.641420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.641420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.641420 (E_RNA)
where:
Base-Base interactions energy: -197.365
where: short stacking energy: -88.060
Base-Backbone interact. energy: 0.838
local terms energy: -97.113616
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -29.885
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -18.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -129.265174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.265174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.265174 (E_RNA)
where:
Base-Base interactions energy: -54.649
where: short stacking energy: -45.255
Base-Backbone interact. energy: -0.338
local terms energy: -84.277573
where:
bonds (distance) C4'-P energy: -27.479
bonds (distance) P-C4' energy: -26.193
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -3.990
tors. eta vs tors. theta energy: -11.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -123.051236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.051236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.051236 (E_RNA)
where:
Base-Base interactions energy: -49.533
where: short stacking energy: -45.679
Base-Backbone interact. energy: -1.484
local terms energy: -82.035049
where:
bonds (distance) C4'-P energy: -21.678
bonds (distance) P-C4' energy: -29.606
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -13.450
tors. eta vs tors. theta energy: -1.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -500.007884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.007884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.007884 (E_RNA)
where:
Base-Base interactions energy: -353.177
where: short stacking energy: -146.553
Base-Backbone interact. energy: -0.183
local terms energy: -156.648169
where:
bonds (distance) C4'-P energy: -27.056
bonds (distance) P-C4' energy: -29.735
flat angles C4'-P-C4' energy: -32.456
flat angles P-C4'-P energy: -23.501
tors. eta vs tors. theta energy: -43.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -491.211697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.211697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.211697 (E_RNA)
where:
Base-Base interactions energy: -353.080
where: short stacking energy: -155.801
Base-Backbone interact. energy: -0.284
local terms energy: -147.847691
where:
bonds (distance) C4'-P energy: -22.122
bonds (distance) P-C4' energy: -24.726
flat angles C4'-P-C4' energy: -30.872
flat angles P-C4'-P energy: -22.925
tors. eta vs tors. theta energy: -47.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -487.202177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.202177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.202177 (E_RNA)
where:
Base-Base interactions energy: -344.502
where: short stacking energy: -147.411
Base-Backbone interact. energy: -0.079
local terms energy: -152.621395
where:
bonds (distance) C4'-P energy: -25.395
bonds (distance) P-C4' energy: -26.911
flat angles C4'-P-C4' energy: -29.356
flat angles P-C4'-P energy: -22.542
tors. eta vs tors. theta energy: -48.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -465.622399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.622399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.622399 (E_RNA)
where:
Base-Base interactions energy: -339.001
where: short stacking energy: -141.430
Base-Backbone interact. energy: -0.575
local terms energy: -136.046725
where:
bonds (distance) C4'-P energy: -21.757
bonds (distance) P-C4' energy: -24.731
flat angles C4'-P-C4' energy: -27.155
flat angles P-C4'-P energy: -21.829
tors. eta vs tors. theta energy: -40.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -462.390910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.390910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.390910 (E_RNA)
where:
Base-Base interactions energy: -329.566
where: short stacking energy: -132.176
Base-Backbone interact. energy: -0.434
local terms energy: -142.390730
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -26.287
flat angles C4'-P-C4' energy: -27.960
flat angles P-C4'-P energy: -19.115
tors. eta vs tors. theta energy: -44.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -455.801178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.801178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.801178 (E_RNA)
where:
Base-Base interactions energy: -340.076
where: short stacking energy: -129.320
Base-Backbone interact. energy: -0.054
local terms energy: -125.670798
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -25.086
flat angles P-C4'-P energy: -18.249
tors. eta vs tors. theta energy: -36.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -453.042837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.042837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.042837 (E_RNA)
where:
Base-Base interactions energy: -329.508
where: short stacking energy: -137.401
Base-Backbone interact. energy: -0.222
local terms energy: -133.312729
where:
bonds (distance) C4'-P energy: -25.272
bonds (distance) P-C4' energy: -22.612
flat angles C4'-P-C4' energy: -24.673
flat angles P-C4'-P energy: -18.331
tors. eta vs tors. theta energy: -42.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -300.078411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.078411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.078411 (E_RNA)
where:
Base-Base interactions energy: -196.244
where: short stacking energy: -97.236
Base-Backbone interact. energy: -0.984
local terms energy: -112.850044
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -26.771
flat angles C4'-P-C4' energy: -30.526
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -16.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -142.170212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.170212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.170212 (E_RNA)
where:
Base-Base interactions energy: -58.154
where: short stacking energy: -58.154
Base-Backbone interact. energy: -0.329
local terms energy: -93.687132
where:
bonds (distance) C4'-P energy: -24.201
bonds (distance) P-C4' energy: -23.393
flat angles C4'-P-C4' energy: -23.910
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -10.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -120.416201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.416201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.416201 (E_RNA)
where:
Base-Base interactions energy: -47.533
where: short stacking energy: -43.251
Base-Backbone interact. energy: 2.254
local terms energy: -85.137756
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -28.184
flat angles C4'-P-C4' energy: -21.802
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -485.426771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.426771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.426771 (E_RNA)
where:
Base-Base interactions energy: -349.787
where: short stacking energy: -147.523
Base-Backbone interact. energy: 0.044
local terms energy: -145.683793
where:
bonds (distance) C4'-P energy: -28.697
bonds (distance) P-C4' energy: -27.426
flat angles C4'-P-C4' energy: -27.448
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -42.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -488.387566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.387566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.387566 (E_RNA)
where:
Base-Base interactions energy: -342.482
where: short stacking energy: -137.244
Base-Backbone interact. energy: -0.909
local terms energy: -154.996865
where:
bonds (distance) C4'-P energy: -28.785
bonds (distance) P-C4' energy: -25.316
flat angles C4'-P-C4' energy: -34.127
flat angles P-C4'-P energy: -24.724
tors. eta vs tors. theta energy: -42.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -478.535615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.535615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.535615 (E_RNA)
where:
Base-Base interactions energy: -343.861
where: short stacking energy: -140.160
Base-Backbone interact. energy: -0.194
local terms energy: -144.480271
where:
bonds (distance) C4'-P energy: -27.222
bonds (distance) P-C4' energy: -26.992
flat angles C4'-P-C4' energy: -31.485
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -42.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -473.022579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.022579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.022579 (E_RNA)
where:
Base-Base interactions energy: -343.066
where: short stacking energy: -134.547
Base-Backbone interact. energy: -0.054
local terms energy: -139.903279
where:
bonds (distance) C4'-P energy: -24.430
bonds (distance) P-C4' energy: -27.967
flat angles C4'-P-C4' energy: -28.525
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -45.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -444.390785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.390785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.390785 (E_RNA)
where:
Base-Base interactions energy: -310.570
where: short stacking energy: -134.144
Base-Backbone interact. energy: -0.098
local terms energy: -143.723617
where:
bonds (distance) C4'-P energy: -27.474
bonds (distance) P-C4' energy: -27.151
flat angles C4'-P-C4' energy: -27.497
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -44.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -458.202655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.202655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.202655 (E_RNA)
where:
Base-Base interactions energy: -329.279
where: short stacking energy: -133.668
Base-Backbone interact. energy: 1.743
local terms energy: -140.666938
where:
bonds (distance) C4'-P energy: -21.402
bonds (distance) P-C4' energy: -27.824
flat angles C4'-P-C4' energy: -28.308
flat angles P-C4'-P energy: -22.488
tors. eta vs tors. theta energy: -40.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -454.827114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.827114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.827114 (E_RNA)
where:
Base-Base interactions energy: -332.774
where: short stacking energy: -131.982
Base-Backbone interact. energy: -0.001
local terms energy: -132.052141
where:
bonds (distance) C4'-P energy: -27.868
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -26.161
flat angles P-C4'-P energy: -22.267
tors. eta vs tors. theta energy: -39.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -274.332343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.332343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.332343 (E_RNA)
where:
Base-Base interactions energy: -168.566
where: short stacking energy: -76.706
Base-Backbone interact. energy: -0.925
local terms energy: -114.841530
where:
bonds (distance) C4'-P energy: -23.860
bonds (distance) P-C4' energy: -28.308
flat angles C4'-P-C4' energy: -23.227
flat angles P-C4'-P energy: -22.054
tors. eta vs tors. theta energy: -17.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -134.670164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.670164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.670164 (E_RNA)
where:
Base-Base interactions energy: -57.579
where: short stacking energy: -44.856
Base-Backbone interact. energy: -0.679
local terms energy: -86.412221
where:
bonds (distance) C4'-P energy: -24.263
bonds (distance) P-C4' energy: -22.027
flat angles C4'-P-C4' energy: -23.640
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -6.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -118.559423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.559423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.559423 (E_RNA)
where:
Base-Base interactions energy: -36.448
where: short stacking energy: -31.756
Base-Backbone interact. energy: -0.302
local terms energy: -91.809745
where:
bonds (distance) C4'-P energy: -22.556
bonds (distance) P-C4' energy: -24.579
flat angles C4'-P-C4' energy: -23.631
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -487.534944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.534944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.534944 (E_RNA)
where:
Base-Base interactions energy: -348.217
where: short stacking energy: -145.055
Base-Backbone interact. energy: -0.606
local terms energy: -148.712200
where:
bonds (distance) C4'-P energy: -28.016
bonds (distance) P-C4' energy: -28.696
flat angles C4'-P-C4' energy: -31.885
flat angles P-C4'-P energy: -18.643
tors. eta vs tors. theta energy: -41.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -488.901138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.901138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.901138 (E_RNA)
where:
Base-Base interactions energy: -344.985
where: short stacking energy: -149.829
Base-Backbone interact. energy: -0.001
local terms energy: -153.915446
where:
bonds (distance) C4'-P energy: -24.694
bonds (distance) P-C4' energy: -29.703
flat angles C4'-P-C4' energy: -30.204
flat angles P-C4'-P energy: -22.143
tors. eta vs tors. theta energy: -47.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -488.582687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.582687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.582687 (E_RNA)
where:
Base-Base interactions energy: -349.855
where: short stacking energy: -153.879
Base-Backbone interact. energy: -0.024
local terms energy: -148.703261
where:
bonds (distance) C4'-P energy: -27.646
bonds (distance) P-C4' energy: -24.014
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -25.416
tors. eta vs tors. theta energy: -42.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -474.675001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.675001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.675001 (E_RNA)
where:
Base-Base interactions energy: -341.868
where: short stacking energy: -137.986
Base-Backbone interact. energy: -0.012
local terms energy: -142.794916
where:
bonds (distance) C4'-P energy: -24.470
bonds (distance) P-C4' energy: -24.191
flat angles C4'-P-C4' energy: -27.679
flat angles P-C4'-P energy: -22.083
tors. eta vs tors. theta energy: -44.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -467.336593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.336593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.336593 (E_RNA)
where:
Base-Base interactions energy: -340.760
where: short stacking energy: -142.513
Base-Backbone interact. energy: -0.051
local terms energy: -136.526126
where:
bonds (distance) C4'-P energy: -25.211
bonds (distance) P-C4' energy: -24.595
flat angles C4'-P-C4' energy: -24.145
flat angles P-C4'-P energy: -20.141
tors. eta vs tors. theta energy: -42.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -464.794379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.794379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.794379 (E_RNA)
where:
Base-Base interactions energy: -329.215
where: short stacking energy: -141.069
Base-Backbone interact. energy: -0.808
local terms energy: -144.771516
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -27.381
flat angles C4'-P-C4' energy: -26.517
flat angles P-C4'-P energy: -20.160
tors. eta vs tors. theta energy: -46.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -445.669556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.669556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.669556 (E_RNA)
where:
Base-Base interactions energy: -315.626
where: short stacking energy: -138.138
Base-Backbone interact. energy: -0.469
local terms energy: -139.574352
where:
bonds (distance) C4'-P energy: -30.300
bonds (distance) P-C4' energy: -25.565
flat angles C4'-P-C4' energy: -24.414
flat angles P-C4'-P energy: -21.892
tors. eta vs tors. theta energy: -37.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -303.500062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.500062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.500062 (E_RNA)
where:
Base-Base interactions energy: -205.122
where: short stacking energy: -95.807
Base-Backbone interact. energy: 0.011
local terms energy: -108.389549
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -25.246
flat angles C4'-P-C4' energy: -27.066
flat angles P-C4'-P energy: -16.614
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -133.645595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.645595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.645595 (E_RNA)
where:
Base-Base interactions energy: -54.867
where: short stacking energy: -54.867
Base-Backbone interact. energy: 3.422
local terms energy: -92.200234
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -25.744
flat angles C4'-P-C4' energy: -27.535
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -10.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -121.378150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.378150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.378150 (E_RNA)
where:
Base-Base interactions energy: -43.688
where: short stacking energy: -37.598
Base-Backbone interact. energy: -0.348
local terms energy: -87.342045
where:
bonds (distance) C4'-P energy: -28.620
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -7.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -500.674900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.674900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.674900 (E_RNA)
where:
Base-Base interactions energy: -356.454
where: short stacking energy: -147.743
Base-Backbone interact. energy: -0.067
local terms energy: -154.154008
where:
bonds (distance) C4'-P energy: -25.243
bonds (distance) P-C4' energy: -26.291
flat angles C4'-P-C4' energy: -32.522
flat angles P-C4'-P energy: -27.783
tors. eta vs tors. theta energy: -42.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -489.074174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.074174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.074174 (E_RNA)
where:
Base-Base interactions energy: -349.820
where: short stacking energy: -156.107
Base-Backbone interact. energy: -0.003
local terms energy: -149.251500
where:
bonds (distance) C4'-P energy: -21.825
bonds (distance) P-C4' energy: -23.327
flat angles C4'-P-C4' energy: -31.974
flat angles P-C4'-P energy: -24.523
tors. eta vs tors. theta energy: -47.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -468.327016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.327016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.327016 (E_RNA)
where:
Base-Base interactions energy: -345.027
where: short stacking energy: -147.592
Base-Backbone interact. energy: -0.489
local terms energy: -132.810841
where:
bonds (distance) C4'-P energy: -26.531
bonds (distance) P-C4' energy: -23.949
flat angles C4'-P-C4' energy: -26.550
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -41.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -477.595444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.595444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.595444 (E_RNA)
where:
Base-Base interactions energy: -342.697
where: short stacking energy: -141.288
Base-Backbone interact. energy: -0.003
local terms energy: -144.894913
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -24.397
flat angles C4'-P-C4' energy: -29.157
flat angles P-C4'-P energy: -21.514
tors. eta vs tors. theta energy: -45.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -470.343996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.343996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.343996 (E_RNA)
where:
Base-Base interactions energy: -337.981
where: short stacking energy: -145.172
Base-Backbone interact. energy: -0.580
local terms energy: -141.783723
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -29.405
flat angles C4'-P-C4' energy: -32.742
flat angles P-C4'-P energy: -17.461
tors. eta vs tors. theta energy: -45.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -475.483329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.483329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.483329 (E_RNA)
where:
Base-Base interactions energy: -336.527
where: short stacking energy: -142.609
Base-Backbone interact. energy: -0.564
local terms energy: -148.392538
where:
bonds (distance) C4'-P energy: -27.135
bonds (distance) P-C4' energy: -29.757
flat angles C4'-P-C4' energy: -28.911
flat angles P-C4'-P energy: -18.491
tors. eta vs tors. theta energy: -44.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -446.744923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.744923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.744923 (E_RNA)
where:
Base-Base interactions energy: -318.847
where: short stacking energy: -129.000
Base-Backbone interact. energy: -0.153
local terms energy: -137.744651
where:
bonds (distance) C4'-P energy: -26.991
bonds (distance) P-C4' energy: -21.907
flat angles C4'-P-C4' energy: -23.024
flat angles P-C4'-P energy: -23.952
tors. eta vs tors. theta energy: -41.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -360.662556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.662556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.662556 (E_RNA)
where:
Base-Base interactions energy: -247.251
where: short stacking energy: -109.312
Base-Backbone interact. energy: -0.162
local terms energy: -123.250030
where:
bonds (distance) C4'-P energy: -24.664
bonds (distance) P-C4' energy: -24.103
flat angles C4'-P-C4' energy: -30.768
flat angles P-C4'-P energy: -15.164
tors. eta vs tors. theta energy: -28.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -124.021831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.021831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.021831 (E_RNA)
where:
Base-Base interactions energy: -46.900
where: short stacking energy: -45.267
Base-Backbone interact. energy: -0.442
local terms energy: -86.679596
where:
bonds (distance) C4'-P energy: -22.540
bonds (distance) P-C4' energy: -22.119
flat angles C4'-P-C4' energy: -23.075
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -9.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -124.391619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.391619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.391619 (E_RNA)
where:
Base-Base interactions energy: -45.960
where: short stacking energy: -34.754
Base-Backbone interact. energy: 0.827
local terms energy: -89.258012
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -28.719
flat angles C4'-P-C4' energy: -28.015
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -495.538781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.538781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.538781 (E_RNA)
where:
Base-Base interactions energy: -357.882
where: short stacking energy: -142.578
Base-Backbone interact. energy: -0.028
local terms energy: -147.628446
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -24.832
flat angles C4'-P-C4' energy: -30.928
flat angles P-C4'-P energy: -24.020
tors. eta vs tors. theta energy: -44.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -497.927191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.927191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.927191 (E_RNA)
where:
Base-Base interactions energy: -355.544
where: short stacking energy: -150.202
Base-Backbone interact. energy: -0.016
local terms energy: -152.366334
where:
bonds (distance) C4'-P energy: -28.016
bonds (distance) P-C4' energy: -28.104
flat angles C4'-P-C4' energy: -32.022
flat angles P-C4'-P energy: -15.812
tors. eta vs tors. theta energy: -48.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -483.402437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.402437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.402437 (E_RNA)
where:
Base-Base interactions energy: -351.093
where: short stacking energy: -135.910
Base-Backbone interact. energy: -0.235
local terms energy: -142.073737
where:
bonds (distance) C4'-P energy: -18.464
bonds (distance) P-C4' energy: -30.130
flat angles C4'-P-C4' energy: -29.737
flat angles P-C4'-P energy: -22.012
tors. eta vs tors. theta energy: -41.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -482.720937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.720937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.720937 (E_RNA)
where:
Base-Base interactions energy: -350.910
where: short stacking energy: -147.180
Base-Backbone interact. energy: -0.312
local terms energy: -141.499201
where:
bonds (distance) C4'-P energy: -21.606
bonds (distance) P-C4' energy: -24.754
flat angles C4'-P-C4' energy: -34.753
flat angles P-C4'-P energy: -15.973
tors. eta vs tors. theta energy: -44.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -451.279821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.279821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.279821 (E_RNA)
where:
Base-Base interactions energy: -322.110
where: short stacking energy: -137.142
Base-Backbone interact. energy: -0.315
local terms energy: -138.854948
where:
bonds (distance) C4'-P energy: -26.487
bonds (distance) P-C4' energy: -26.299
flat angles C4'-P-C4' energy: -26.715
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -43.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -446.948014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.948014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.948014 (E_RNA)
where:
Base-Base interactions energy: -324.890
where: short stacking energy: -131.822
Base-Backbone interact. energy: -0.132
local terms energy: -131.926203
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -23.966
flat angles C4'-P-C4' energy: -25.645
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -42.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -428.834802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.834802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.834802 (E_RNA)
where:
Base-Base interactions energy: -306.212
where: short stacking energy: -123.542
Base-Backbone interact. energy: -0.888
local terms energy: -131.735141
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -28.907
flat angles C4'-P-C4' energy: -28.029
flat angles P-C4'-P energy: -18.848
tors. eta vs tors. theta energy: -37.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -335.191462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.191462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.191462 (E_RNA)
where:
Base-Base interactions energy: -233.981
where: short stacking energy: -101.105
Base-Backbone interact. energy: -0.232
local terms energy: -110.979034
where:
bonds (distance) C4'-P energy: -11.618
bonds (distance) P-C4' energy: -30.377
flat angles C4'-P-C4' energy: -24.386
flat angles P-C4'-P energy: -16.865
tors. eta vs tors. theta energy: -27.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -120.502908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.502908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.502908 (E_RNA)
where:
Base-Base interactions energy: -47.108
where: short stacking energy: -44.968
Base-Backbone interact. energy: 0.124
local terms energy: -83.518958
where:
bonds (distance) C4'-P energy: -21.808
bonds (distance) P-C4' energy: -21.261
flat angles C4'-P-C4' energy: -24.870
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -107.455590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.455590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.455590 (E_RNA)
where:
Base-Base interactions energy: -37.252
where: short stacking energy: -37.252
Base-Backbone interact. energy: -0.582
local terms energy: -79.621930
where:
bonds (distance) C4'-P energy: -26.130
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -0.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -501.676911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.676911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.676911 (E_RNA)
where:
Base-Base interactions energy: -361.069
where: short stacking energy: -144.424
Base-Backbone interact. energy: -0.052
local terms energy: -150.556069
where:
bonds (distance) C4'-P energy: -26.052
bonds (distance) P-C4' energy: -26.553
flat angles C4'-P-C4' energy: -29.147
flat angles P-C4'-P energy: -26.136
tors. eta vs tors. theta energy: -42.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -497.332252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.332252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.332252 (E_RNA)
where:
Base-Base interactions energy: -353.134
where: short stacking energy: -150.729
Base-Backbone interact. energy: -0.579
local terms energy: -153.619362
where:
bonds (distance) C4'-P energy: -28.830
bonds (distance) P-C4' energy: -27.892
flat angles C4'-P-C4' energy: -32.217
flat angles P-C4'-P energy: -22.017
tors. eta vs tors. theta energy: -42.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -480.249972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.249972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.249972 (E_RNA)
where:
Base-Base interactions energy: -356.604
where: short stacking energy: -138.757
Base-Backbone interact. energy: -0.395
local terms energy: -133.251632
where:
bonds (distance) C4'-P energy: -25.986
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -23.608
flat angles P-C4'-P energy: -20.851
tors. eta vs tors. theta energy: -39.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -476.817693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.817693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.817693 (E_RNA)
where:
Base-Base interactions energy: -346.544
where: short stacking energy: -139.471
Base-Backbone interact. energy: -0.166
local terms energy: -140.107813
where:
bonds (distance) C4'-P energy: -29.206
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -25.363
flat angles P-C4'-P energy: -20.968
tors. eta vs tors. theta energy: -40.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -461.961617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.961617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.961617 (E_RNA)
where:
Base-Base interactions energy: -329.189
where: short stacking energy: -138.559
Base-Backbone interact. energy: -0.054
local terms energy: -142.717731
where:
bonds (distance) C4'-P energy: -26.971
bonds (distance) P-C4' energy: -28.966
flat angles C4'-P-C4' energy: -24.977
flat angles P-C4'-P energy: -18.613
tors. eta vs tors. theta energy: -43.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -440.507603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.507603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.507603 (E_RNA)
where:
Base-Base interactions energy: -315.304
where: short stacking energy: -134.785
Base-Backbone interact. energy: -0.085
local terms energy: -135.118473
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -23.960
flat angles C4'-P-C4' energy: -29.779
flat angles P-C4'-P energy: -18.417
tors. eta vs tors. theta energy: -40.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -435.638244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.638244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.638244 (E_RNA)
where:
Base-Base interactions energy: -316.154
where: short stacking energy: -130.574
Base-Backbone interact. energy: 0.089
local terms energy: -129.572813
where:
bonds (distance) C4'-P energy: -23.498
bonds (distance) P-C4' energy: -23.106
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -18.845
tors. eta vs tors. theta energy: -38.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -349.002155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.002155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.002155 (E_RNA)
where:
Base-Base interactions energy: -250.389
where: short stacking energy: -107.492
Base-Backbone interact. energy: -0.404
local terms energy: -108.209563
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -26.980
flat angles C4'-P-C4' energy: -24.125
flat angles P-C4'-P energy: -10.645
tors. eta vs tors. theta energy: -26.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -117.469591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.469591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.469591 (E_RNA)
where:
Base-Base interactions energy: -59.479
where: short stacking energy: -56.920
Base-Backbone interact. energy: -0.477
local terms energy: -67.513911
where:
bonds (distance) C4'-P energy: -22.179
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -104.142961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.142961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.142961 (E_RNA)
where:
Base-Base interactions energy: -40.245
where: short stacking energy: -37.751
Base-Backbone interact. energy: 0.715
local terms energy: -74.613131
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -27.662
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: 4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -497.024132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.024132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.024132 (E_RNA)
where:
Base-Base interactions energy: -347.368
where: short stacking energy: -148.107
Base-Backbone interact. energy: -0.004
local terms energy: -159.652155
where:
bonds (distance) C4'-P energy: -32.109
bonds (distance) P-C4' energy: -28.773
flat angles C4'-P-C4' energy: -26.730
flat angles P-C4'-P energy: -25.320
tors. eta vs tors. theta energy: -46.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -494.590319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.590319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.590319 (E_RNA)
where:
Base-Base interactions energy: -359.399
where: short stacking energy: -142.664
Base-Backbone interact. energy: -0.174
local terms energy: -145.016809
where:
bonds (distance) C4'-P energy: -27.467
bonds (distance) P-C4' energy: -27.078
flat angles C4'-P-C4' energy: -28.556
flat angles P-C4'-P energy: -22.092
tors. eta vs tors. theta energy: -39.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -488.464723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.464723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.464723 (E_RNA)
where:
Base-Base interactions energy: -341.918
where: short stacking energy: -150.057
Base-Backbone interact. energy: 1.577
local terms energy: -158.123548
where:
bonds (distance) C4'-P energy: -26.904
bonds (distance) P-C4' energy: -31.468
flat angles C4'-P-C4' energy: -32.723
flat angles P-C4'-P energy: -23.123
tors. eta vs tors. theta energy: -43.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -481.173594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.173594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.173594 (E_RNA)
where:
Base-Base interactions energy: -344.237
where: short stacking energy: -139.868
Base-Backbone interact. energy: -0.130
local terms energy: -146.806575
where:
bonds (distance) C4'-P energy: -23.675
bonds (distance) P-C4' energy: -25.996
flat angles C4'-P-C4' energy: -30.892
flat angles P-C4'-P energy: -21.409
tors. eta vs tors. theta energy: -44.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -462.037632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.037632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.037632 (E_RNA)
where:
Base-Base interactions energy: -331.520
where: short stacking energy: -130.543
Base-Backbone interact. energy: -0.309
local terms energy: -140.208621
where:
bonds (distance) C4'-P energy: -24.696
bonds (distance) P-C4' energy: -27.613
flat angles C4'-P-C4' energy: -27.565
flat angles P-C4'-P energy: -21.519
tors. eta vs tors. theta energy: -38.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -448.862196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.862196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.862196 (E_RNA)
where:
Base-Base interactions energy: -320.233
where: short stacking energy: -134.852
Base-Backbone interact. energy: -0.283
local terms energy: -138.346087
where:
bonds (distance) C4'-P energy: -25.400
bonds (distance) P-C4' energy: -22.474
flat angles C4'-P-C4' energy: -32.275
flat angles P-C4'-P energy: -18.974
tors. eta vs tors. theta energy: -39.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -439.363687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.363687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.363687 (E_RNA)
where:
Base-Base interactions energy: -307.530
where: short stacking energy: -125.601
Base-Backbone interact. energy: -0.878
local terms energy: -140.955819
where:
bonds (distance) C4'-P energy: -28.919
bonds (distance) P-C4' energy: -28.720
flat angles C4'-P-C4' energy: -24.180
flat angles P-C4'-P energy: -20.897
tors. eta vs tors. theta energy: -38.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -349.518365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.518365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.518365 (E_RNA)
where:
Base-Base interactions energy: -243.713
where: short stacking energy: -106.192
Base-Backbone interact. energy: -0.254
local terms energy: -115.550988
where:
bonds (distance) C4'-P energy: -18.150
bonds (distance) P-C4' energy: -23.412
flat angles C4'-P-C4' energy: -23.846
flat angles P-C4'-P energy: -16.474
tors. eta vs tors. theta energy: -33.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -126.833103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.833103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.833103 (E_RNA)
where:
Base-Base interactions energy: -49.664
where: short stacking energy: -38.039
Base-Backbone interact. energy: -0.522
local terms energy: -86.646759
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -25.229
flat angles C4'-P-C4' energy: -24.713
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: 0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -131.921674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.921674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.921674 (E_RNA)
where:
Base-Base interactions energy: -66.736
where: short stacking energy: -41.002
Base-Backbone interact. energy: -1.746
local terms energy: -73.439556
where:
bonds (distance) C4'-P energy: -24.886
bonds (distance) P-C4' energy: -21.386
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -14.521
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -495.497631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.497631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.497631 (E_RNA)
where:
Base-Base interactions energy: -355.646
where: short stacking energy: -144.823
Base-Backbone interact. energy: -0.690
local terms energy: -149.161218
where:
bonds (distance) C4'-P energy: -31.284
bonds (distance) P-C4' energy: -29.136
flat angles C4'-P-C4' energy: -28.702
flat angles P-C4'-P energy: -17.851
tors. eta vs tors. theta energy: -42.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -487.115358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.115358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.115358 (E_RNA)
where:
Base-Base interactions energy: -339.548
where: short stacking energy: -142.482
Base-Backbone interact. energy: -0.004
local terms energy: -157.563980
where:
bonds (distance) C4'-P energy: -26.808
bonds (distance) P-C4' energy: -26.201
flat angles C4'-P-C4' energy: -30.432
flat angles P-C4'-P energy: -25.288
tors. eta vs tors. theta energy: -48.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -480.274938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.274938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.274938 (E_RNA)
where:
Base-Base interactions energy: -350.258
where: short stacking energy: -144.760
Base-Backbone interact. energy: -0.006
local terms energy: -140.010907
where:
bonds (distance) C4'-P energy: -25.717
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -25.571
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -40.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -470.891156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.891156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.891156 (E_RNA)
where:
Base-Base interactions energy: -337.498
where: short stacking energy: -139.057
Base-Backbone interact. energy: -0.787
local terms energy: -142.606401
where:
bonds (distance) C4'-P energy: -28.245
bonds (distance) P-C4' energy: -24.270
flat angles C4'-P-C4' energy: -23.841
flat angles P-C4'-P energy: -24.483
tors. eta vs tors. theta energy: -41.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -467.978066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.978066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.978066 (E_RNA)
where:
Base-Base interactions energy: -337.269
where: short stacking energy: -138.971
Base-Backbone interact. energy: -0.697
local terms energy: -140.011986
where:
bonds (distance) C4'-P energy: -25.422
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -29.314
flat angles P-C4'-P energy: -16.244
tors. eta vs tors. theta energy: -45.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -437.746383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.746383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.746383 (E_RNA)
where:
Base-Base interactions energy: -316.659
where: short stacking energy: -140.510
Base-Backbone interact. energy: -0.160
local terms energy: -130.927913
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -22.308
flat angles C4'-P-C4' energy: -28.360
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -41.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -443.442647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.442647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.442647 (E_RNA)
where:
Base-Base interactions energy: -317.740
where: short stacking energy: -125.206
Base-Backbone interact. energy: -0.577
local terms energy: -135.125036
where:
bonds (distance) C4'-P energy: -24.945
bonds (distance) P-C4' energy: -22.436
flat angles C4'-P-C4' energy: -28.446
flat angles P-C4'-P energy: -18.285
tors. eta vs tors. theta energy: -41.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -334.900467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.900467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.900467 (E_RNA)
where:
Base-Base interactions energy: -224.119
where: short stacking energy: -105.620
Base-Backbone interact. energy: -0.068
local terms energy: -120.713986
where:
bonds (distance) C4'-P energy: -23.872
bonds (distance) P-C4' energy: -23.167
flat angles C4'-P-C4' energy: -27.796
flat angles P-C4'-P energy: -20.978
tors. eta vs tors. theta energy: -24.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -169.190240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.190240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.190240 (E_RNA)
where:
Base-Base interactions energy: -108.598
where: short stacking energy: -48.802
Base-Backbone interact. energy: -0.085
local terms energy: -70.506384
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -21.615
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -19.476
tors. eta vs tors. theta energy: 2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -111.828980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.828980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.828980 (E_RNA)
where:
Base-Base interactions energy: -53.453
where: short stacking energy: -39.028
Base-Backbone interact. energy: -0.611
local terms energy: -67.764393
where:
bonds (distance) C4'-P energy: -21.428
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: 3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -504.196135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.196135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.196135 (E_RNA)
where:
Base-Base interactions energy: -360.396
where: short stacking energy: -142.501
Base-Backbone interact. energy: -0.117
local terms energy: -153.682989
where:
bonds (distance) C4'-P energy: -31.337
bonds (distance) P-C4' energy: -28.614
flat angles C4'-P-C4' energy: -27.177
flat angles P-C4'-P energy: -24.855
tors. eta vs tors. theta energy: -41.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -485.613766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.613766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.613766 (E_RNA)
where:
Base-Base interactions energy: -350.857
where: short stacking energy: -158.856
Base-Backbone interact. energy: -0.089
local terms energy: -144.667548
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -23.027
flat angles C4'-P-C4' energy: -27.729
flat angles P-C4'-P energy: -22.705
tors. eta vs tors. theta energy: -45.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -484.413868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.413868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.413868 (E_RNA)
where:
Base-Base interactions energy: -349.800
where: short stacking energy: -141.386
Base-Backbone interact. energy: -0.016
local terms energy: -144.598207
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -27.051
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -22.776
tors. eta vs tors. theta energy: -42.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -470.290620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.290620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.290620 (E_RNA)
where:
Base-Base interactions energy: -338.741
where: short stacking energy: -141.566
Base-Backbone interact. energy: -0.573
local terms energy: -140.975670
where:
bonds (distance) C4'-P energy: -25.996
bonds (distance) P-C4' energy: -22.338
flat angles C4'-P-C4' energy: -29.569
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -45.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -483.260365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.260365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.260365 (E_RNA)
where:
Base-Base interactions energy: -344.827
where: short stacking energy: -142.589
Base-Backbone interact. energy: -2.318
local terms energy: -146.115366
where:
bonds (distance) C4'-P energy: -21.033
bonds (distance) P-C4' energy: -29.932
flat angles C4'-P-C4' energy: -29.855
flat angles P-C4'-P energy: -20.998
tors. eta vs tors. theta energy: -44.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -466.435739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.435739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.435739 (E_RNA)
where:
Base-Base interactions energy: -333.460
where: short stacking energy: -131.769
Base-Backbone interact. energy: -0.013
local terms energy: -142.962083
where:
bonds (distance) C4'-P energy: -22.830
bonds (distance) P-C4' energy: -22.032
flat angles C4'-P-C4' energy: -30.265
flat angles P-C4'-P energy: -24.751
tors. eta vs tors. theta energy: -43.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -438.182112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.182112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.182112 (E_RNA)
where:
Base-Base interactions energy: -308.077
where: short stacking energy: -125.705
Base-Backbone interact. energy: -0.149
local terms energy: -139.955501
where:
bonds (distance) C4'-P energy: -24.860
bonds (distance) P-C4' energy: -26.499
flat angles C4'-P-C4' energy: -27.208
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: -40.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -176.982480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.982480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.982480 (E_RNA)
where:
Base-Base interactions energy: -101.110
where: short stacking energy: -57.039
Base-Backbone interact. energy: 0.154
local terms energy: -86.026483
where:
bonds (distance) C4'-P energy: -23.188
bonds (distance) P-C4' energy: -28.221
flat angles C4'-P-C4' energy: -20.206
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -340.338836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.338836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.338836 (E_RNA)
where:
Base-Base interactions energy: -229.638
where: short stacking energy: -103.936
Base-Backbone interact. energy: -0.216
local terms energy: -120.484752
where:
bonds (distance) C4'-P energy: -23.320
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -28.204
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -32.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -119.240236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.240236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.240236 (E_RNA)
where:
Base-Base interactions energy: -43.759
where: short stacking energy: -41.996
Base-Backbone interact. energy: -0.947
local terms energy: -84.534494
where:
bonds (distance) C4'-P energy: -22.743
bonds (distance) P-C4' energy: -29.677
flat angles C4'-P-C4' energy: -21.179
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: 3.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -504.266220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.266220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.266220 (E_RNA)
where:
Base-Base interactions energy: -360.778
where: short stacking energy: -139.951
Base-Backbone interact. energy: -0.085
local terms energy: -153.402932
where:
bonds (distance) C4'-P energy: -27.085
bonds (distance) P-C4' energy: -31.037
flat angles C4'-P-C4' energy: -30.973
flat angles P-C4'-P energy: -24.223
tors. eta vs tors. theta energy: -40.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -483.961787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.961787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.961787 (E_RNA)
where:
Base-Base interactions energy: -344.540
where: short stacking energy: -149.781
Base-Backbone interact. energy: -0.015
local terms energy: -149.407189
where:
bonds (distance) C4'-P energy: -25.232
bonds (distance) P-C4' energy: -28.285
flat angles C4'-P-C4' energy: -30.137
flat angles P-C4'-P energy: -20.008
tors. eta vs tors. theta energy: -45.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -484.691424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.691424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.691424 (E_RNA)
where:
Base-Base interactions energy: -343.440
where: short stacking energy: -149.072
Base-Backbone interact. energy: -0.009
local terms energy: -151.242465
where:
bonds (distance) C4'-P energy: -28.941
bonds (distance) P-C4' energy: -25.567
flat angles C4'-P-C4' energy: -27.667
flat angles P-C4'-P energy: -20.888
tors. eta vs tors. theta energy: -48.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -479.716850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.716850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.716850 (E_RNA)
where:
Base-Base interactions energy: -341.616
where: short stacking energy: -141.839
Base-Backbone interact. energy: 0.210
local terms energy: -148.311418
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -27.247
flat angles C4'-P-C4' energy: -31.314
flat angles P-C4'-P energy: -21.335
tors. eta vs tors. theta energy: -48.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -456.462144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.462144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.462144 (E_RNA)
where:
Base-Base interactions energy: -335.317
where: short stacking energy: -144.578
Base-Backbone interact. energy: -0.198
local terms energy: -130.946662
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -29.708
flat angles P-C4'-P energy: -21.610
tors. eta vs tors. theta energy: -43.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -453.286154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.286154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.286154 (E_RNA)
where:
Base-Base interactions energy: -323.139
where: short stacking energy: -136.591
Base-Backbone interact. energy: -0.094
local terms energy: -140.053129
where:
bonds (distance) C4'-P energy: -18.437
bonds (distance) P-C4' energy: -29.320
flat angles C4'-P-C4' energy: -28.494
flat angles P-C4'-P energy: -21.681
tors. eta vs tors. theta energy: -42.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -447.165195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.165195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.165195 (E_RNA)
where:
Base-Base interactions energy: -333.244
where: short stacking energy: -139.759
Base-Backbone interact. energy: -0.058
local terms energy: -123.862838
where:
bonds (distance) C4'-P energy: -24.378
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -42.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -221.339643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.339643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.339643 (E_RNA)
where:
Base-Base interactions energy: -127.092
where: short stacking energy: -54.195
Base-Backbone interact. energy: -0.299
local terms energy: -103.948555
where:
bonds (distance) C4'-P energy: -23.563
bonds (distance) P-C4' energy: -29.946
flat angles C4'-P-C4' energy: -24.650
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -14.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -340.585252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.585252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.585252 (E_RNA)
where:
Base-Base interactions energy: -244.684
where: short stacking energy: -92.373
Base-Backbone interact. energy: -0.471
local terms energy: -105.430631
where:
bonds (distance) C4'-P energy: -19.179
bonds (distance) P-C4' energy: -23.033
flat angles C4'-P-C4' energy: -23.333
flat angles P-C4'-P energy: -16.104
tors. eta vs tors. theta energy: -23.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -131.473245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.473245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.473245 (E_RNA)
where:
Base-Base interactions energy: -64.433
where: short stacking energy: -44.658
Base-Backbone interact. energy: -1.235
local terms energy: -75.805744
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -22.358
flat angles C4'-P-C4' energy: -18.500
flat angles P-C4'-P energy: -14.372
tors. eta vs tors. theta energy: -1.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -496.998686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.998686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.998686 (E_RNA)
where:
Base-Base interactions energy: -365.662
where: short stacking energy: -149.010
Base-Backbone interact. energy: -0.717
local terms energy: -140.620194
where:
bonds (distance) C4'-P energy: -25.505
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -30.005
flat angles P-C4'-P energy: -23.956
tors. eta vs tors. theta energy: -40.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -477.715040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.715040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.715040 (E_RNA)
where:
Base-Base interactions energy: -334.610
where: short stacking energy: -132.892
Base-Backbone interact. energy: -0.162
local terms energy: -152.943011
where:
bonds (distance) C4'-P energy: -29.479
bonds (distance) P-C4' energy: -27.928
flat angles C4'-P-C4' energy: -33.602
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: -40.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -480.626507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.626507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.626507 (E_RNA)
where:
Base-Base interactions energy: -345.395
where: short stacking energy: -148.401
Base-Backbone interact. energy: -0.095
local terms energy: -145.136507
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -29.427
flat angles C4'-P-C4' energy: -30.035
flat angles P-C4'-P energy: -21.171
tors. eta vs tors. theta energy: -43.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -481.508657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.508657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.508657 (E_RNA)
where:
Base-Base interactions energy: -346.771
where: short stacking energy: -144.325
Base-Backbone interact. energy: -0.142
local terms energy: -144.595905
where:
bonds (distance) C4'-P energy: -27.903
bonds (distance) P-C4' energy: -28.990
flat angles C4'-P-C4' energy: -23.172
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: -42.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -457.699249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.699249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.699249 (E_RNA)
where:
Base-Base interactions energy: -324.403
where: short stacking energy: -145.352
Base-Backbone interact. energy: -0.081
local terms energy: -143.215556
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -27.633
flat angles P-C4'-P energy: -20.443
tors. eta vs tors. theta energy: -42.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -456.875708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.875708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.875708 (E_RNA)
where:
Base-Base interactions energy: -321.355
where: short stacking energy: -135.681
Base-Backbone interact. energy: -0.101
local terms energy: -145.419558
where:
bonds (distance) C4'-P energy: -21.867
bonds (distance) P-C4' energy: -26.286
flat angles C4'-P-C4' energy: -32.601
flat angles P-C4'-P energy: -20.604
tors. eta vs tors. theta energy: -44.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -454.250879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.250879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.250879 (E_RNA)
where:
Base-Base interactions energy: -314.827
where: short stacking energy: -133.478
Base-Backbone interact. energy: -0.059
local terms energy: -149.365348
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -27.909
flat angles C4'-P-C4' energy: -28.495
flat angles P-C4'-P energy: -24.502
tors. eta vs tors. theta energy: -44.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -421.666120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.666120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.666120 (E_RNA)
where:
Base-Base interactions energy: -302.419
where: short stacking energy: -132.519
Base-Backbone interact. energy: -0.002
local terms energy: -129.245063
where:
bonds (distance) C4'-P energy: -25.108
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -25.110
flat angles P-C4'-P energy: -16.475
tors. eta vs tors. theta energy: -40.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -218.587231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.587231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.587231 (E_RNA)
where:
Base-Base interactions energy: -138.633
where: short stacking energy: -67.838
Base-Backbone interact. energy: 1.300
local terms energy: -91.253637
where:
bonds (distance) C4'-P energy: -25.819
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -23.421
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -7.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -112.014111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.014111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.014111 (E_RNA)
where:
Base-Base interactions energy: -56.113
where: short stacking energy: -49.153
Base-Backbone interact. energy: -0.849
local terms energy: -65.052066
where:
bonds (distance) C4'-P energy: -23.630
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -1.441
tors. eta vs tors. theta energy: 5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -493.450302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.450302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.450302 (E_RNA)
where:
Base-Base interactions energy: -359.378
where: short stacking energy: -155.240
Base-Backbone interact. energy: -0.181
local terms energy: -143.891602
where:
bonds (distance) C4'-P energy: -24.393
bonds (distance) P-C4' energy: -24.673
flat angles C4'-P-C4' energy: -30.729
flat angles P-C4'-P energy: -21.376
tors. eta vs tors. theta energy: -42.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -483.830940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.830940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.830940 (E_RNA)
where:
Base-Base interactions energy: -348.764
where: short stacking energy: -147.522
Base-Backbone interact. energy: -0.157
local terms energy: -144.909968
where:
bonds (distance) C4'-P energy: -21.844
bonds (distance) P-C4' energy: -28.229
flat angles C4'-P-C4' energy: -30.862
flat angles P-C4'-P energy: -21.952
tors. eta vs tors. theta energy: -42.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -486.415362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.415362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.415362 (E_RNA)
where:
Base-Base interactions energy: -341.404
where: short stacking energy: -136.627
Base-Backbone interact. energy: -0.049
local terms energy: -154.962796
where:
bonds (distance) C4'-P energy: -31.118
bonds (distance) P-C4' energy: -26.219
flat angles C4'-P-C4' energy: -31.183
flat angles P-C4'-P energy: -24.460
tors. eta vs tors. theta energy: -41.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -483.002367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.002367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.002367 (E_RNA)
where:
Base-Base interactions energy: -338.052
where: short stacking energy: -144.038
Base-Backbone interact. energy: -0.193
local terms energy: -154.757771
where:
bonds (distance) C4'-P energy: -25.095
bonds (distance) P-C4' energy: -30.182
flat angles C4'-P-C4' energy: -32.796
flat angles P-C4'-P energy: -20.505
tors. eta vs tors. theta energy: -46.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -463.571484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.571484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.571484 (E_RNA)
where:
Base-Base interactions energy: -325.907
where: short stacking energy: -133.499
Base-Backbone interact. energy: -0.095
local terms energy: -147.569271
where:
bonds (distance) C4'-P energy: -23.033
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -30.024
flat angles P-C4'-P energy: -23.247
tors. eta vs tors. theta energy: -45.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -447.107695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.107695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.107695 (E_RNA)
where:
Base-Base interactions energy: -320.471
where: short stacking energy: -130.956
Base-Backbone interact. energy: 3.398
local terms energy: -140.034222
where:
bonds (distance) C4'-P energy: -20.781
bonds (distance) P-C4' energy: -28.004
flat angles C4'-P-C4' energy: -33.838
flat angles P-C4'-P energy: -16.721
tors. eta vs tors. theta energy: -40.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -430.300391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.300391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.300391 (E_RNA)
where:
Base-Base interactions energy: -311.631
where: short stacking energy: -132.566
Base-Backbone interact. energy: -0.080
local terms energy: -128.589684
where:
bonds (distance) C4'-P energy: -24.489
bonds (distance) P-C4' energy: -22.879
flat angles C4'-P-C4' energy: -26.372
flat angles P-C4'-P energy: -18.573
tors. eta vs tors. theta energy: -36.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -438.499439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.499439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.499439 (E_RNA)
where:
Base-Base interactions energy: -319.364
where: short stacking energy: -134.327
Base-Backbone interact. energy: -0.292
local terms energy: -128.842592
where:
bonds (distance) C4'-P energy: -23.537
bonds (distance) P-C4' energy: -21.947
flat angles C4'-P-C4' energy: -26.281
flat angles P-C4'-P energy: -18.610
tors. eta vs tors. theta energy: -38.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -212.831352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.831352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.831352 (E_RNA)
where:
Base-Base interactions energy: -130.807
where: short stacking energy: -68.730
Base-Backbone interact. energy: -0.602
local terms energy: -91.421543
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -29.074
flat angles C4'-P-C4' energy: -22.882
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -8.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -115.121580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.121580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.121580 (E_RNA)
where:
Base-Base interactions energy: -43.167
where: short stacking energy: -43.167
Base-Backbone interact. energy: 1.205
local terms energy: -83.159402
where:
bonds (distance) C4'-P energy: -18.181
bonds (distance) P-C4' energy: -27.372
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -16.932
tors. eta vs tors. theta energy: -2.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -495.087361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.087361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.087361 (E_RNA)
where:
Base-Base interactions energy: -353.351
where: short stacking energy: -152.425
Base-Backbone interact. energy: -1.231
local terms energy: -150.504838
where:
bonds (distance) C4'-P energy: -28.861
bonds (distance) P-C4' energy: -27.438
flat angles C4'-P-C4' energy: -25.286
flat angles P-C4'-P energy: -22.758
tors. eta vs tors. theta energy: -46.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -486.385292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.385292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.385292 (E_RNA)
where:
Base-Base interactions energy: -349.517
where: short stacking energy: -155.780
Base-Backbone interact. energy: -0.042
local terms energy: -146.826246
where:
bonds (distance) C4'-P energy: -23.778
bonds (distance) P-C4' energy: -29.432
flat angles C4'-P-C4' energy: -31.948
flat angles P-C4'-P energy: -18.715
tors. eta vs tors. theta energy: -42.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -465.242111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.242111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.242111 (E_RNA)
where:
Base-Base interactions energy: -330.471
where: short stacking energy: -145.363
Base-Backbone interact. energy: -0.194
local terms energy: -144.577423
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -29.381
flat angles C4'-P-C4' energy: -28.829
flat angles P-C4'-P energy: -17.867
tors. eta vs tors. theta energy: -42.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -472.975856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.975856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.975856 (E_RNA)
where:
Base-Base interactions energy: -345.631
where: short stacking energy: -149.065
Base-Backbone interact. energy: -0.123
local terms energy: -137.221419
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -33.173
flat angles P-C4'-P energy: -20.706
tors. eta vs tors. theta energy: -44.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -463.795116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.795116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.795116 (E_RNA)
where:
Base-Base interactions energy: -331.837
where: short stacking energy: -140.346
Base-Backbone interact. energy: -0.714
local terms energy: -141.244196
where:
bonds (distance) C4'-P energy: -22.509
bonds (distance) P-C4' energy: -24.482
flat angles C4'-P-C4' energy: -28.364
flat angles P-C4'-P energy: -19.594
tors. eta vs tors. theta energy: -46.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -449.480196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.480196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.480196 (E_RNA)
where:
Base-Base interactions energy: -317.929
where: short stacking energy: -139.131
Base-Backbone interact. energy: 0.310
local terms energy: -141.860890
where:
bonds (distance) C4'-P energy: -27.860
bonds (distance) P-C4' energy: -22.749
flat angles C4'-P-C4' energy: -28.664
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -40.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -438.679701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.679701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.679701 (E_RNA)
where:
Base-Base interactions energy: -320.471
where: short stacking energy: -127.379
Base-Backbone interact. energy: -0.670
local terms energy: -127.538904
where:
bonds (distance) C4'-P energy: -21.175
bonds (distance) P-C4' energy: -21.044
flat angles C4'-P-C4' energy: -25.155
flat angles P-C4'-P energy: -20.939
tors. eta vs tors. theta energy: -39.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -441.696470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.696470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.696470 (E_RNA)
where:
Base-Base interactions energy: -319.006
where: short stacking energy: -135.823
Base-Backbone interact. energy: 0.222
local terms energy: -132.912447
where:
bonds (distance) C4'-P energy: -22.051
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -25.026
flat angles P-C4'-P energy: -21.805
tors. eta vs tors. theta energy: -43.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -203.361040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.361040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.361040 (E_RNA)
where:
Base-Base interactions energy: -119.087
where: short stacking energy: -66.663
Base-Backbone interact. energy: -0.211
local terms energy: -94.063358
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -25.594
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -9.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -118.865195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.865195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.865195 (E_RNA)
where:
Base-Base interactions energy: -62.717
where: short stacking energy: -40.737
Base-Backbone interact. energy: -0.560
local terms energy: -65.588407
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -25.469
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: 7.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -511.325362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.325362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.325362 (E_RNA)
where:
Base-Base interactions energy: -360.528
where: short stacking energy: -160.899
Base-Backbone interact. energy: -0.003
local terms energy: -160.794297
where:
bonds (distance) C4'-P energy: -28.062
bonds (distance) P-C4' energy: -31.101
flat angles C4'-P-C4' energy: -31.719
flat angles P-C4'-P energy: -21.795
tors. eta vs tors. theta energy: -48.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -485.893910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.893910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.893910 (E_RNA)
where:
Base-Base interactions energy: -353.174
where: short stacking energy: -150.004
Base-Backbone interact. energy: -0.308
local terms energy: -142.412077
where:
bonds (distance) C4'-P energy: -24.396
bonds (distance) P-C4' energy: -23.494
flat angles C4'-P-C4' energy: -26.842
flat angles P-C4'-P energy: -21.364
tors. eta vs tors. theta energy: -46.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -482.638923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.638923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.638923 (E_RNA)
where:
Base-Base interactions energy: -344.159
where: short stacking energy: -155.977
Base-Backbone interact. energy: -0.062
local terms energy: -148.418359
where:
bonds (distance) C4'-P energy: -22.994
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -31.624
flat angles P-C4'-P energy: -24.000
tors. eta vs tors. theta energy: -46.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -478.170541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.170541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.170541 (E_RNA)
where:
Base-Base interactions energy: -337.998
where: short stacking energy: -138.859
Base-Backbone interact. energy: -0.084
local terms energy: -150.088001
where:
bonds (distance) C4'-P energy: -26.552
bonds (distance) P-C4' energy: -25.802
flat angles C4'-P-C4' energy: -29.977
flat angles P-C4'-P energy: -21.771
tors. eta vs tors. theta energy: -45.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -460.126704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.126704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.126704 (E_RNA)
where:
Base-Base interactions energy: -332.511
where: short stacking energy: -139.520
Base-Backbone interact. energy: -0.023
local terms energy: -137.592509
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -30.059
flat angles C4'-P-C4' energy: -28.913
flat angles P-C4'-P energy: -18.001
tors. eta vs tors. theta energy: -39.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -441.010380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.010380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.010380 (E_RNA)
where:
Base-Base interactions energy: -319.069
where: short stacking energy: -140.026
Base-Backbone interact. energy: -0.079
local terms energy: -131.862597
where:
bonds (distance) C4'-P energy: -24.287
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -28.520
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -42.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -443.710969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.710969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.710969 (E_RNA)
where:
Base-Base interactions energy: -320.902
where: short stacking energy: -133.328
Base-Backbone interact. energy: -0.594
local terms energy: -132.215073
where:
bonds (distance) C4'-P energy: -23.936
bonds (distance) P-C4' energy: -27.647
flat angles C4'-P-C4' energy: -26.849
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -40.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -426.474524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.474524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.474524 (E_RNA)
where:
Base-Base interactions energy: -314.183
where: short stacking energy: -131.776
Base-Backbone interact. energy: -0.573
local terms energy: -121.719070
where:
bonds (distance) C4'-P energy: -28.515
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -17.200
flat angles P-C4'-P energy: -18.792
tors. eta vs tors. theta energy: -38.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -122.668638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.668638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.668638 (E_RNA)
where:
Base-Base interactions energy: -43.621
where: short stacking energy: -36.105
Base-Backbone interact. energy: -0.338
local terms energy: -88.710056
where:
bonds (distance) C4'-P energy: -26.441
bonds (distance) P-C4' energy: -24.154
flat angles C4'-P-C4' energy: -25.907
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: 2.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -154.193186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.193186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.193186 (E_RNA)
where:
Base-Base interactions energy: -75.602
where: short stacking energy: -31.903
Base-Backbone interact. energy: -0.456
local terms energy: -88.135454
where:
bonds (distance) C4'-P energy: -24.841
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -21.618
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -6.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -490.610911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.610911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.610911 (E_RNA)
where:
Base-Base interactions energy: -347.244
where: short stacking energy: -147.305
Base-Backbone interact. energy: -0.176
local terms energy: -153.190992
where:
bonds (distance) C4'-P energy: -31.106
bonds (distance) P-C4' energy: -28.010
flat angles C4'-P-C4' energy: -25.030
flat angles P-C4'-P energy: -26.514
tors. eta vs tors. theta energy: -42.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -491.364697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.364697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.364697 (E_RNA)
where:
Base-Base interactions energy: -355.540
where: short stacking energy: -145.637
Base-Backbone interact. energy: 0.901
local terms energy: -146.725253
where:
bonds (distance) C4'-P energy: -30.560
bonds (distance) P-C4' energy: -25.165
flat angles C4'-P-C4' energy: -30.815
flat angles P-C4'-P energy: -18.919
tors. eta vs tors. theta energy: -41.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -480.823243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.823243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.823243 (E_RNA)
where:
Base-Base interactions energy: -354.998
where: short stacking energy: -146.796
Base-Backbone interact. energy: -0.067
local terms energy: -135.758574
where:
bonds (distance) C4'-P energy: -26.653
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -27.523
flat angles P-C4'-P energy: -18.322
tors. eta vs tors. theta energy: -40.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -474.014152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.014152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.014152 (E_RNA)
where:
Base-Base interactions energy: -337.264
where: short stacking energy: -130.656
Base-Backbone interact. energy: -0.042
local terms energy: -146.708610
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -28.739
flat angles C4'-P-C4' energy: -32.232
flat angles P-C4'-P energy: -26.265
tors. eta vs tors. theta energy: -40.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -464.961983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.961983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.961983 (E_RNA)
where:
Base-Base interactions energy: -326.157
where: short stacking energy: -138.141
Base-Backbone interact. energy: -0.488
local terms energy: -148.317410
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -24.224
flat angles C4'-P-C4' energy: -34.640
flat angles P-C4'-P energy: -22.350
tors. eta vs tors. theta energy: -43.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -450.986894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.986894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.986894 (E_RNA)
where:
Base-Base interactions energy: -322.189
where: short stacking energy: -133.508
Base-Backbone interact. energy: -0.292
local terms energy: -138.506518
where:
bonds (distance) C4'-P energy: -21.683
bonds (distance) P-C4' energy: -23.428
flat angles C4'-P-C4' energy: -30.500
flat angles P-C4'-P energy: -22.573
tors. eta vs tors. theta energy: -40.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -429.980424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.980424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.980424 (E_RNA)
where:
Base-Base interactions energy: -306.328
where: short stacking energy: -126.070
Base-Backbone interact. energy: -0.049
local terms energy: -133.603733
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -27.945
flat angles C4'-P-C4' energy: -30.696
flat angles P-C4'-P energy: -19.359
tors. eta vs tors. theta energy: -41.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -421.867717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.867717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.867717 (E_RNA)
where:
Base-Base interactions energy: -306.250
where: short stacking energy: -123.768
Base-Backbone interact. energy: -0.239
local terms energy: -125.378106
where:
bonds (distance) C4'-P energy: -21.711
bonds (distance) P-C4' energy: -21.365
flat angles C4'-P-C4' energy: -27.754
flat angles P-C4'-P energy: -17.789
tors. eta vs tors. theta energy: -36.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -115.673446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.673446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.673446 (E_RNA)
where:
Base-Base interactions energy: -41.960
where: short stacking energy: -32.844
Base-Backbone interact. energy: -1.149
local terms energy: -82.565186
where:
bonds (distance) C4'-P energy: -26.642
bonds (distance) P-C4' energy: -23.631
flat angles C4'-P-C4' energy: -25.460
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: 4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -119.053529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.053529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.053529 (E_RNA)
where:
Base-Base interactions energy: -47.984
where: short stacking energy: -36.441
Base-Backbone interact. energy: -0.247
local terms energy: -80.822872
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -24.150
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -495.115216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.115216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.115216 (E_RNA)
where:
Base-Base interactions energy: -350.775
where: short stacking energy: -144.323
Base-Backbone interact. energy: -0.001
local terms energy: -154.339564
where:
bonds (distance) C4'-P energy: -26.878
bonds (distance) P-C4' energy: -26.386
flat angles C4'-P-C4' energy: -31.285
flat angles P-C4'-P energy: -23.411
tors. eta vs tors. theta energy: -46.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -485.323524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.323524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.323524 (E_RNA)
where:
Base-Base interactions energy: -344.886
where: short stacking energy: -140.607
Base-Backbone interact. energy: -0.001
local terms energy: -150.436429
where:
bonds (distance) C4'-P energy: -27.606
bonds (distance) P-C4' energy: -25.960
flat angles C4'-P-C4' energy: -31.000
flat angles P-C4'-P energy: -21.444
tors. eta vs tors. theta energy: -44.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -473.617313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.617313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.617313 (E_RNA)
where:
Base-Base interactions energy: -347.094
where: short stacking energy: -146.824
Base-Backbone interact. energy: 0.012
local terms energy: -136.535218
where:
bonds (distance) C4'-P energy: -20.659
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -32.004
flat angles P-C4'-P energy: -22.106
tors. eta vs tors. theta energy: -40.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -471.069193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.069193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.069193 (E_RNA)
where:
Base-Base interactions energy: -347.220
where: short stacking energy: -145.457
Base-Backbone interact. energy: -0.019
local terms energy: -133.829466
where:
bonds (distance) C4'-P energy: -25.456
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -28.348
flat angles P-C4'-P energy: -16.763
tors. eta vs tors. theta energy: -46.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -455.810232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.810232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.810232 (E_RNA)
where:
Base-Base interactions energy: -319.365
where: short stacking energy: -135.621
Base-Backbone interact. energy: -0.020
local terms energy: -146.425534
where:
bonds (distance) C4'-P energy: -25.377
bonds (distance) P-C4' energy: -25.550
flat angles C4'-P-C4' energy: -30.008
flat angles P-C4'-P energy: -24.014
tors. eta vs tors. theta energy: -41.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -454.436447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.436447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.436447 (E_RNA)
where:
Base-Base interactions energy: -320.795
where: short stacking energy: -142.319
Base-Backbone interact. energy: -0.079
local terms energy: -143.562629
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -25.848
flat angles C4'-P-C4' energy: -28.990
flat angles P-C4'-P energy: -20.376
tors. eta vs tors. theta energy: -45.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -449.497131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.497131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.497131 (E_RNA)
where:
Base-Base interactions energy: -316.711
where: short stacking energy: -133.923
Base-Backbone interact. energy: -0.024
local terms energy: -142.762509
where:
bonds (distance) C4'-P energy: -27.533
bonds (distance) P-C4' energy: -31.774
flat angles C4'-P-C4' energy: -26.510
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -39.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -440.919531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.919531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.919531 (E_RNA)
where:
Base-Base interactions energy: -321.030
where: short stacking energy: -127.652
Base-Backbone interact. energy: -0.339
local terms energy: -129.550643
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -26.791
flat angles C4'-P-C4' energy: -28.161
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -40.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -130.626363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.626363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.626363 (E_RNA)
where:
Base-Base interactions energy: -56.480
where: short stacking energy: -43.580
Base-Backbone interact. energy: -0.879
local terms energy: -83.266819
where:
bonds (distance) C4'-P energy: -27.173
bonds (distance) P-C4' energy: -29.414
flat angles C4'-P-C4' energy: -25.439
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: 7.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -115.815004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.815004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.815004 (E_RNA)
where:
Base-Base interactions energy: -46.643
where: short stacking energy: -40.996
Base-Backbone interact. energy: 1.067
local terms energy: -80.239425
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -28.167
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -1.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -494.920176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.920176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.920176 (E_RNA)
where:
Base-Base interactions energy: -344.673
where: short stacking energy: -145.285
Base-Backbone interact. energy: -0.321
local terms energy: -159.926096
where:
bonds (distance) C4'-P energy: -29.496
bonds (distance) P-C4' energy: -30.817
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -25.394
tors. eta vs tors. theta energy: -44.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -496.477541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.477541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.477541 (E_RNA)
where:
Base-Base interactions energy: -357.815
where: short stacking energy: -151.933
Base-Backbone interact. energy: -0.588
local terms energy: -148.073777
where:
bonds (distance) C4'-P energy: -28.336
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -31.451
flat angles P-C4'-P energy: -18.499
tors. eta vs tors. theta energy: -43.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -481.114650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.114650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.114650 (E_RNA)
where:
Base-Base interactions energy: -345.574
where: short stacking energy: -147.736
Base-Backbone interact. energy: -0.094
local terms energy: -145.446488
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -31.651
flat angles C4'-P-C4' energy: -32.693
flat angles P-C4'-P energy: -19.473
tors. eta vs tors. theta energy: -46.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -470.303244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.303244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.303244 (E_RNA)
where:
Base-Base interactions energy: -343.395
where: short stacking energy: -137.265
Base-Backbone interact. energy: -0.006
local terms energy: -136.901588
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -23.009
flat angles C4'-P-C4' energy: -28.917
flat angles P-C4'-P energy: -21.864
tors. eta vs tors. theta energy: -42.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -456.922428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.922428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.922428 (E_RNA)
where:
Base-Base interactions energy: -327.897
where: short stacking energy: -132.970
Base-Backbone interact. energy: -0.047
local terms energy: -138.978396
where:
bonds (distance) C4'-P energy: -27.655
bonds (distance) P-C4' energy: -26.844
flat angles C4'-P-C4' energy: -29.697
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -36.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -461.664324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.664324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.664324 (E_RNA)
where:
Base-Base interactions energy: -338.020
where: short stacking energy: -140.201
Base-Backbone interact. energy: -0.128
local terms energy: -133.515725
where:
bonds (distance) C4'-P energy: -24.644
bonds (distance) P-C4' energy: -26.629
flat angles C4'-P-C4' energy: -26.648
flat angles P-C4'-P energy: -17.111
tors. eta vs tors. theta energy: -38.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -436.458152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.458152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.458152 (E_RNA)
where:
Base-Base interactions energy: -305.083
where: short stacking energy: -134.041
Base-Backbone interact. energy: -0.031
local terms energy: -141.344199
where:
bonds (distance) C4'-P energy: -25.036
bonds (distance) P-C4' energy: -22.639
flat angles C4'-P-C4' energy: -28.602
flat angles P-C4'-P energy: -23.637
tors. eta vs tors. theta energy: -41.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -420.441744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.441744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.441744 (E_RNA)
where:
Base-Base interactions energy: -293.650
where: short stacking energy: -121.697
Base-Backbone interact. energy: -0.083
local terms energy: -136.708182
where:
bonds (distance) C4'-P energy: -24.584
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -30.269
flat angles P-C4'-P energy: -19.654
tors. eta vs tors. theta energy: -38.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -119.712482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.712482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.712482 (E_RNA)
where:
Base-Base interactions energy: -54.253
where: short stacking energy: -43.240
Base-Backbone interact. energy: -0.127
local terms energy: -75.332861
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -28.905
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -9.185
tors. eta vs tors. theta energy: -4.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -119.877145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.877145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.877145 (E_RNA)
where:
Base-Base interactions energy: -41.763
where: short stacking energy: -34.149
Base-Backbone interact. energy: -0.516
local terms energy: -87.598807
where:
bonds (distance) C4'-P energy: -27.074
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -24.815
flat angles P-C4'-P energy: -13.672
tors. eta vs tors. theta energy: -2.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -498.266718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.266718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.266718 (E_RNA)
where:
Base-Base interactions energy: -351.993
where: short stacking energy: -150.741
Base-Backbone interact. energy: -0.097
local terms energy: -156.176464
where:
bonds (distance) C4'-P energy: -31.863
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -26.195
flat angles P-C4'-P energy: -21.869
tors. eta vs tors. theta energy: -47.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -491.692102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.692102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.692102 (E_RNA)
where:
Base-Base interactions energy: -348.116
where: short stacking energy: -144.772
Base-Backbone interact. energy: -0.039
local terms energy: -153.536647
where:
bonds (distance) C4'-P energy: -32.105
bonds (distance) P-C4' energy: -29.583
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -19.009
tors. eta vs tors. theta energy: -43.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -467.216352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.216352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.216352 (E_RNA)
where:
Base-Base interactions energy: -334.595
where: short stacking energy: -143.163
Base-Backbone interact. energy: 0.630
local terms energy: -143.250843
where:
bonds (distance) C4'-P energy: -25.784
bonds (distance) P-C4' energy: -25.599
flat angles C4'-P-C4' energy: -29.427
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -43.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -476.780871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.780871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.780871 (E_RNA)
where:
Base-Base interactions energy: -339.592
where: short stacking energy: -146.144
Base-Backbone interact. energy: -0.585
local terms energy: -146.603868
where:
bonds (distance) C4'-P energy: -20.433
bonds (distance) P-C4' energy: -28.234
flat angles C4'-P-C4' energy: -29.964
flat angles P-C4'-P energy: -22.338
tors. eta vs tors. theta energy: -45.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -471.664740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.664740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.664740 (E_RNA)
where:
Base-Base interactions energy: -339.140
where: short stacking energy: -137.452
Base-Backbone interact. energy: -0.030
local terms energy: -142.494607
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -28.317
flat angles P-C4'-P energy: -20.315
tors. eta vs tors. theta energy: -45.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -452.425090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.425090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.425090 (E_RNA)
where:
Base-Base interactions energy: -328.855
where: short stacking energy: -140.301
Base-Backbone interact. energy: -0.754
local terms energy: -132.815815
where:
bonds (distance) C4'-P energy: -20.287
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -30.838
flat angles P-C4'-P energy: -22.234
tors. eta vs tors. theta energy: -44.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -436.057341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.057341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.057341 (E_RNA)
where:
Base-Base interactions energy: -319.527
where: short stacking energy: -127.832
Base-Backbone interact. energy: -0.445
local terms energy: -126.085573
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -20.678
flat angles C4'-P-C4' energy: -29.401
flat angles P-C4'-P energy: -16.371
tors. eta vs tors. theta energy: -37.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -414.817514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.817514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.817514 (E_RNA)
where:
Base-Base interactions energy: -297.814
where: short stacking energy: -119.097
Base-Backbone interact. energy: -0.141
local terms energy: -126.863073
where:
bonds (distance) C4'-P energy: -26.004
bonds (distance) P-C4' energy: -27.606
flat angles C4'-P-C4' energy: -30.592
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -28.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -186.879244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.879244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.879244 (E_RNA)
where:
Base-Base interactions energy: -104.123
where: short stacking energy: -61.070
Base-Backbone interact. energy: -0.148
local terms energy: -92.607395
where:
bonds (distance) C4'-P energy: -22.597
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -23.690
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -7.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -116.704367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.704367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.704367 (E_RNA)
where:
Base-Base interactions energy: -58.190
where: short stacking energy: -57.756
Base-Backbone interact. energy: 3.212
local terms energy: -71.726283
where:
bonds (distance) C4'-P energy: -21.252
bonds (distance) P-C4' energy: -21.597
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -491.378330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.378330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.378330 (E_RNA)
where:
Base-Base interactions energy: -352.320
where: short stacking energy: -151.446
Base-Backbone interact. energy: -0.037
local terms energy: -149.021864
where:
bonds (distance) C4'-P energy: -25.096
bonds (distance) P-C4' energy: -26.436
flat angles C4'-P-C4' energy: -31.333
flat angles P-C4'-P energy: -17.928
tors. eta vs tors. theta energy: -48.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -495.441225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.441225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.441225 (E_RNA)
where:
Base-Base interactions energy: -353.286
where: short stacking energy: -149.862
Base-Backbone interact. energy: -0.027
local terms energy: -152.128569
where:
bonds (distance) C4'-P energy: -29.955
bonds (distance) P-C4' energy: -25.539
flat angles C4'-P-C4' energy: -29.135
flat angles P-C4'-P energy: -20.914
tors. eta vs tors. theta energy: -46.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -481.443128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.443128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.443128 (E_RNA)
where:
Base-Base interactions energy: -334.899
where: short stacking energy: -131.500
Base-Backbone interact. energy: -0.358
local terms energy: -156.185495
where:
bonds (distance) C4'-P energy: -30.544
bonds (distance) P-C4' energy: -32.346
flat angles C4'-P-C4' energy: -27.975
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: -44.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -471.151477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.151477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.151477 (E_RNA)
where:
Base-Base interactions energy: -339.934
where: short stacking energy: -151.731
Base-Backbone interact. energy: 0.312
local terms energy: -141.528927
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -25.113
flat angles C4'-P-C4' energy: -30.861
flat angles P-C4'-P energy: -22.848
tors. eta vs tors. theta energy: -42.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -468.359701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.359701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.359701 (E_RNA)
where:
Base-Base interactions energy: -331.338
where: short stacking energy: -140.037
Base-Backbone interact. energy: -0.007
local terms energy: -147.014490
where:
bonds (distance) C4'-P energy: -20.777
bonds (distance) P-C4' energy: -28.258
flat angles C4'-P-C4' energy: -30.602
flat angles P-C4'-P energy: -24.042
tors. eta vs tors. theta energy: -43.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -462.044061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.044061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.044061 (E_RNA)
where:
Base-Base interactions energy: -329.765
where: short stacking energy: -141.774
Base-Backbone interact. energy: -0.625
local terms energy: -141.653967
where:
bonds (distance) C4'-P energy: -23.488
bonds (distance) P-C4' energy: -25.552
flat angles C4'-P-C4' energy: -28.600
flat angles P-C4'-P energy: -21.526
tors. eta vs tors. theta energy: -42.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -428.476252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.476252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.476252 (E_RNA)
where:
Base-Base interactions energy: -310.726
where: short stacking energy: -126.531
Base-Backbone interact. energy: -0.163
local terms energy: -127.587902
where:
bonds (distance) C4'-P energy: -23.915
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -25.563
flat angles P-C4'-P energy: -18.649
tors. eta vs tors. theta energy: -37.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -419.483456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.483456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.483456 (E_RNA)
where:
Base-Base interactions energy: -303.702
where: short stacking energy: -129.871
Base-Backbone interact. energy: -0.021
local terms energy: -125.760656
where:
bonds (distance) C4'-P energy: -22.160
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -29.798
flat angles P-C4'-P energy: -18.875
tors. eta vs tors. theta energy: -39.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -166.780164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.780164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.780164 (E_RNA)
where:
Base-Base interactions energy: -95.589
where: short stacking energy: -60.170
Base-Backbone interact. energy: -0.034
local terms energy: -81.156287
where:
bonds (distance) C4'-P energy: -19.848
bonds (distance) P-C4' energy: -25.633
flat angles C4'-P-C4' energy: -22.515
flat angles P-C4'-P energy: -3.668
tors. eta vs tors. theta energy: -9.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -112.682542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.682542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.682542 (E_RNA)
where:
Base-Base interactions energy: -35.433
where: short stacking energy: -31.424
Base-Backbone interact. energy: -0.382
local terms energy: -86.867729
where:
bonds (distance) C4'-P energy: -22.073
bonds (distance) P-C4' energy: -22.893
flat angles C4'-P-C4' energy: -27.516
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: 0.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -494.125253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.125253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.125253 (E_RNA)
where:
Base-Base interactions energy: -354.139
where: short stacking energy: -148.842
Base-Backbone interact. energy: -0.132
local terms energy: -149.854550
where:
bonds (distance) C4'-P energy: -25.519
bonds (distance) P-C4' energy: -27.272
flat angles C4'-P-C4' energy: -30.724
flat angles P-C4'-P energy: -20.747
tors. eta vs tors. theta energy: -45.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -483.707005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.707005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.707005 (E_RNA)
where:
Base-Base interactions energy: -344.958
where: short stacking energy: -152.001
Base-Backbone interact. energy: -0.021
local terms energy: -148.727782
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -26.225
flat angles C4'-P-C4' energy: -29.729
flat angles P-C4'-P energy: -23.446
tors. eta vs tors. theta energy: -47.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -480.294545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.294545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.294545 (E_RNA)
where:
Base-Base interactions energy: -341.734
where: short stacking energy: -140.142
Base-Backbone interact. energy: -0.301
local terms energy: -148.259209
where:
bonds (distance) C4'-P energy: -25.632
bonds (distance) P-C4' energy: -29.899
flat angles C4'-P-C4' energy: -30.251
flat angles P-C4'-P energy: -20.257
tors. eta vs tors. theta energy: -42.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -470.829640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.829640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.829640 (E_RNA)
where:
Base-Base interactions energy: -339.955
where: short stacking energy: -139.088
Base-Backbone interact. energy: 0.679
local terms energy: -141.554133
where:
bonds (distance) C4'-P energy: -24.147
bonds (distance) P-C4' energy: -26.383
flat angles C4'-P-C4' energy: -26.884
flat angles P-C4'-P energy: -20.854
tors. eta vs tors. theta energy: -43.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -474.707619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.707619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.707619 (E_RNA)
where:
Base-Base interactions energy: -334.976
where: short stacking energy: -139.394
Base-Backbone interact. energy: -0.365
local terms energy: -149.366595
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -30.523
flat angles C4'-P-C4' energy: -28.135
flat angles P-C4'-P energy: -21.071
tors. eta vs tors. theta energy: -45.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -451.743295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.743295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.743295 (E_RNA)
where:
Base-Base interactions energy: -319.541
where: short stacking energy: -138.122
Base-Backbone interact. energy: -0.173
local terms energy: -142.029932
where:
bonds (distance) C4'-P energy: -30.430
bonds (distance) P-C4' energy: -24.204
flat angles C4'-P-C4' energy: -31.526
flat angles P-C4'-P energy: -17.078
tors. eta vs tors. theta energy: -38.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -424.053569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.053569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.053569 (E_RNA)
where:
Base-Base interactions energy: -310.761
where: short stacking energy: -122.566
Base-Backbone interact. energy: -0.055
local terms energy: -123.237754
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -27.224
flat angles C4'-P-C4' energy: -27.209
flat angles P-C4'-P energy: -18.965
tors. eta vs tors. theta energy: -36.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -423.115037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.115037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.115037 (E_RNA)
where:
Base-Base interactions energy: -303.604
where: short stacking energy: -126.010
Base-Backbone interact. energy: -0.813
local terms energy: -128.698511
where:
bonds (distance) C4'-P energy: -23.901
bonds (distance) P-C4' energy: -21.151
flat angles C4'-P-C4' energy: -25.404
flat angles P-C4'-P energy: -16.936
tors. eta vs tors. theta energy: -41.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -130.928975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.928975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.928975 (E_RNA)
where:
Base-Base interactions energy: -45.462
where: short stacking energy: -34.188
Base-Backbone interact. energy: -0.986
local terms energy: -94.481027
where:
bonds (distance) C4'-P energy: -24.178
bonds (distance) P-C4' energy: -22.427
flat angles C4'-P-C4' energy: -24.445
flat angles P-C4'-P energy: -16.352
tors. eta vs tors. theta energy: -7.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -134.757577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.757577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.757577 (E_RNA)
where:
Base-Base interactions energy: -69.003
where: short stacking energy: -39.310
Base-Backbone interact. energy: -1.246
local terms energy: -74.508793
where:
bonds (distance) C4'-P energy: -25.418
bonds (distance) P-C4' energy: -20.077
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: 2.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -497.052090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.052090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.052090 (E_RNA)
where:
Base-Base interactions energy: -355.698
where: short stacking energy: -134.235
Base-Backbone interact. energy: -0.236
local terms energy: -151.118148
where:
bonds (distance) C4'-P energy: -27.969
bonds (distance) P-C4' energy: -28.271
flat angles C4'-P-C4' energy: -29.983
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: -42.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -495.878258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.878258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.878258 (E_RNA)
where:
Base-Base interactions energy: -357.585
where: short stacking energy: -153.318
Base-Backbone interact. energy: -0.339
local terms energy: -147.954148
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -28.578
flat angles C4'-P-C4' energy: -28.693
flat angles P-C4'-P energy: -18.617
tors. eta vs tors. theta energy: -44.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -485.083394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.083394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.083394 (E_RNA)
where:
Base-Base interactions energy: -353.357
where: short stacking energy: -146.046
Base-Backbone interact. energy: 0.407
local terms energy: -142.133472
where:
bonds (distance) C4'-P energy: -21.597
bonds (distance) P-C4' energy: -23.592
flat angles C4'-P-C4' energy: -30.403
flat angles P-C4'-P energy: -22.553
tors. eta vs tors. theta energy: -43.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -470.292515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.292515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.292515 (E_RNA)
where:
Base-Base interactions energy: -342.796
where: short stacking energy: -141.966
Base-Backbone interact. energy: -0.128
local terms energy: -137.368387
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -30.918
flat angles P-C4'-P energy: -22.100
tors. eta vs tors. theta energy: -45.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -450.791999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.791999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.791999 (E_RNA)
where:
Base-Base interactions energy: -320.992
where: short stacking energy: -128.539
Base-Backbone interact. energy: -0.493
local terms energy: -139.306847
where:
bonds (distance) C4'-P energy: -29.533
bonds (distance) P-C4' energy: -20.249
flat angles C4'-P-C4' energy: -32.569
flat angles P-C4'-P energy: -18.921
tors. eta vs tors. theta energy: -38.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -452.316588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.316588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.316588 (E_RNA)
where:
Base-Base interactions energy: -337.350
where: short stacking energy: -141.504
Base-Backbone interact. energy: -0.022
local terms energy: -124.944990
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -23.743
flat angles P-C4'-P energy: -19.784
tors. eta vs tors. theta energy: -44.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -437.745986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.745986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.745986 (E_RNA)
where:
Base-Base interactions energy: -321.589
where: short stacking energy: -136.860
Base-Backbone interact. energy: 0.149
local terms energy: -126.306488
where:
bonds (distance) C4'-P energy: -15.431
bonds (distance) P-C4' energy: -20.525
flat angles C4'-P-C4' energy: -29.181
flat angles P-C4'-P energy: -19.776
tors. eta vs tors. theta energy: -41.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -434.692294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.692294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.692294 (E_RNA)
where:
Base-Base interactions energy: -322.410
where: short stacking energy: -126.773
Base-Backbone interact. energy: -0.294
local terms energy: -121.988317
where:
bonds (distance) C4'-P energy: -21.122
bonds (distance) P-C4' energy: -27.977
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -18.296
tors. eta vs tors. theta energy: -35.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -127.095759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.095759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.095759 (E_RNA)
where:
Base-Base interactions energy: -44.360
where: short stacking energy: -28.763
Base-Backbone interact. energy: -1.042
local terms energy: -91.693529
where:
bonds (distance) C4'-P energy: -21.975
bonds (distance) P-C4' energy: -24.796
flat angles C4'-P-C4' energy: -22.291
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -106.873139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.873139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.873139 (E_RNA)
where:
Base-Base interactions energy: -40.229
where: short stacking energy: -37.833
Base-Backbone interact. energy: -0.733
local terms energy: -75.911061
where:
bonds (distance) C4'-P energy: -19.728
bonds (distance) P-C4' energy: -24.759
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -3.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -497.977201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.977201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.977201 (E_RNA)
where:
Base-Base interactions energy: -353.834
where: short stacking energy: -136.475
Base-Backbone interact. energy: -0.678
local terms energy: -153.465629
where:
bonds (distance) C4'-P energy: -25.393
bonds (distance) P-C4' energy: -31.958
flat angles C4'-P-C4' energy: -28.813
flat angles P-C4'-P energy: -26.121
tors. eta vs tors. theta energy: -41.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -489.347959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.347959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.347959 (E_RNA)
where:
Base-Base interactions energy: -348.782
where: short stacking energy: -148.113
Base-Backbone interact. energy: -0.015
local terms energy: -150.551493
where:
bonds (distance) C4'-P energy: -26.027
bonds (distance) P-C4' energy: -30.017
flat angles C4'-P-C4' energy: -28.582
flat angles P-C4'-P energy: -20.550
tors. eta vs tors. theta energy: -45.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -484.871909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.871909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.871909 (E_RNA)
where:
Base-Base interactions energy: -346.855
where: short stacking energy: -150.400
Base-Backbone interact. energy: -0.282
local terms energy: -147.734945
where:
bonds (distance) C4'-P energy: -25.750
bonds (distance) P-C4' energy: -24.238
flat angles C4'-P-C4' energy: -28.141
flat angles P-C4'-P energy: -25.274
tors. eta vs tors. theta energy: -44.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -486.482415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.482415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.482415 (E_RNA)
where:
Base-Base interactions energy: -345.121
where: short stacking energy: -144.798
Base-Backbone interact. energy: -0.092
local terms energy: -151.268887
where:
bonds (distance) C4'-P energy: -28.791
bonds (distance) P-C4' energy: -31.269
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -20.828
tors. eta vs tors. theta energy: -45.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -467.437265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.437265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.437265 (E_RNA)
where:
Base-Base interactions energy: -338.124
where: short stacking energy: -134.179
Base-Backbone interact. energy: -0.400
local terms energy: -138.913811
where:
bonds (distance) C4'-P energy: -23.298
bonds (distance) P-C4' energy: -27.897
flat angles C4'-P-C4' energy: -27.105
flat angles P-C4'-P energy: -16.427
tors. eta vs tors. theta energy: -44.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -430.724931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.724931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.724931 (E_RNA)
where:
Base-Base interactions energy: -305.297
where: short stacking energy: -127.832
Base-Backbone interact. energy: -0.179
local terms energy: -135.249243
where:
bonds (distance) C4'-P energy: -29.579
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -26.510
flat angles P-C4'-P energy: -22.084
tors. eta vs tors. theta energy: -37.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -434.938148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.938148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.938148 (E_RNA)
where:
Base-Base interactions energy: -310.865
where: short stacking energy: -122.411
Base-Backbone interact. energy: -0.316
local terms energy: -133.757204
where:
bonds (distance) C4'-P energy: -24.358
bonds (distance) P-C4' energy: -25.780
flat angles C4'-P-C4' energy: -26.100
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -41.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -429.506327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.506327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.506327 (E_RNA)
where:
Base-Base interactions energy: -305.845
where: short stacking energy: -129.722
Base-Backbone interact. energy: 1.101
local terms energy: -134.762415
where:
bonds (distance) C4'-P energy: -25.304
bonds (distance) P-C4' energy: -22.925
flat angles C4'-P-C4' energy: -26.890
flat angles P-C4'-P energy: -18.091
tors. eta vs tors. theta energy: -41.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -119.051648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.051648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.051648 (E_RNA)
where:
Base-Base interactions energy: -54.634
where: short stacking energy: -47.284
Base-Backbone interact. energy: -0.468
local terms energy: -73.948744
where:
bonds (distance) C4'-P energy: -27.102
bonds (distance) P-C4' energy: -26.724
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -7.516
tors. eta vs tors. theta energy: 2.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -127.834801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.834801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.834801 (E_RNA)
where:
Base-Base interactions energy: -46.957
where: short stacking energy: -46.565
Base-Backbone interact. energy: -0.631
local terms energy: -90.246990
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -31.963
flat angles C4'-P-C4' energy: -20.335
flat angles P-C4'-P energy: -15.990
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -497.203064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.203064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.203064 (E_RNA)
where:
Base-Base interactions energy: -356.364
where: short stacking energy: -138.794
Base-Backbone interact. energy: -0.103
local terms energy: -150.735904
where:
bonds (distance) C4'-P energy: -25.758
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -31.358
flat angles P-C4'-P energy: -25.363
tors. eta vs tors. theta energy: -42.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -489.119004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.119004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.119004 (E_RNA)
where:
Base-Base interactions energy: -349.298
where: short stacking energy: -153.152
Base-Backbone interact. energy: -0.247
local terms energy: -149.574413
where:
bonds (distance) C4'-P energy: -28.340
bonds (distance) P-C4' energy: -28.842
flat angles C4'-P-C4' energy: -27.983
flat angles P-C4'-P energy: -17.937
tors. eta vs tors. theta energy: -46.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -485.838002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.838002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.838002 (E_RNA)
where:
Base-Base interactions energy: -337.975
where: short stacking energy: -144.473
Base-Backbone interact. energy: -0.012
local terms energy: -157.850633
where:
bonds (distance) C4'-P energy: -29.645
bonds (distance) P-C4' energy: -25.495
flat angles C4'-P-C4' energy: -31.800
flat angles P-C4'-P energy: -24.525
tors. eta vs tors. theta energy: -46.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -470.194497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.194497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.194497 (E_RNA)
where:
Base-Base interactions energy: -335.679
where: short stacking energy: -141.765
Base-Backbone interact. energy: -0.271
local terms energy: -144.244343
where:
bonds (distance) C4'-P energy: -22.192
bonds (distance) P-C4' energy: -31.003
flat angles C4'-P-C4' energy: -29.754
flat angles P-C4'-P energy: -16.523
tors. eta vs tors. theta energy: -44.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -464.119445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.119445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.119445 (E_RNA)
where:
Base-Base interactions energy: -334.561
where: short stacking energy: -137.532
Base-Backbone interact. energy: -0.503
local terms energy: -139.055966
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -25.947
flat angles C4'-P-C4' energy: -29.238
flat angles P-C4'-P energy: -18.522
tors. eta vs tors. theta energy: -42.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -456.399967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.399967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.399967 (E_RNA)
where:
Base-Base interactions energy: -334.231
where: short stacking energy: -131.376
Base-Backbone interact. energy: -0.022
local terms energy: -132.146925
where:
bonds (distance) C4'-P energy: -22.660
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -28.465
flat angles P-C4'-P energy: -18.299
tors. eta vs tors. theta energy: -40.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -439.732049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.732049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.732049 (E_RNA)
where:
Base-Base interactions energy: -308.276
where: short stacking energy: -124.069
Base-Backbone interact. energy: -0.219
local terms energy: -141.237372
where:
bonds (distance) C4'-P energy: -23.174
bonds (distance) P-C4' energy: -27.473
flat angles C4'-P-C4' energy: -28.770
flat angles P-C4'-P energy: -23.795
tors. eta vs tors. theta energy: -38.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -434.839859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.839859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.839859 (E_RNA)
where:
Base-Base interactions energy: -318.913
where: short stacking energy: -130.097
Base-Backbone interact. energy: -0.079
local terms energy: -125.847478
where:
bonds (distance) C4'-P energy: -24.037
bonds (distance) P-C4' energy: -22.781
flat angles C4'-P-C4' energy: -24.800
flat angles P-C4'-P energy: -15.222
tors. eta vs tors. theta energy: -39.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -130.897773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.897773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.897773 (E_RNA)
where:
Base-Base interactions energy: -63.699
where: short stacking energy: -58.407
Base-Backbone interact. energy: 5.207
local terms energy: -82.405904
where:
bonds (distance) C4'-P energy: -29.092
bonds (distance) P-C4' energy: -22.359
flat angles C4'-P-C4' energy: -11.665
flat angles P-C4'-P energy: -16.549
tors. eta vs tors. theta energy: -2.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -132.828083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.828083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.828083 (E_RNA)
where:
Base-Base interactions energy: -71.821
where: short stacking energy: -58.884
Base-Backbone interact. energy: -0.419
local terms energy: -70.587808
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -21.034
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -3.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -502.601044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.601044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.601044 (E_RNA)
where:
Base-Base interactions energy: -362.359
where: short stacking energy: -150.790
Base-Backbone interact. energy: -0.001
local terms energy: -150.240544
where:
bonds (distance) C4'-P energy: -29.209
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -30.686
flat angles P-C4'-P energy: -22.392
tors. eta vs tors. theta energy: -44.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -489.516317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.516317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.516317 (E_RNA)
where:
Base-Base interactions energy: -350.804
where: short stacking energy: -137.815
Base-Backbone interact. energy: -0.536
local terms energy: -148.176349
where:
bonds (distance) C4'-P energy: -26.859
bonds (distance) P-C4' energy: -29.010
flat angles C4'-P-C4' energy: -31.737
flat angles P-C4'-P energy: -20.046
tors. eta vs tors. theta energy: -40.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -477.600018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.600018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.600018 (E_RNA)
where:
Base-Base interactions energy: -346.083
where: short stacking energy: -143.126
Base-Backbone interact. energy: -0.569
local terms energy: -140.947614
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -28.399
flat angles C4'-P-C4' energy: -31.748
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -40.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -479.638377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.638377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.638377 (E_RNA)
where:
Base-Base interactions energy: -336.887
where: short stacking energy: -142.647
Base-Backbone interact. energy: -0.577
local terms energy: -152.173941
where:
bonds (distance) C4'-P energy: -28.663
bonds (distance) P-C4' energy: -26.499
flat angles C4'-P-C4' energy: -32.446
flat angles P-C4'-P energy: -21.653
tors. eta vs tors. theta energy: -42.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -471.467871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.467871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.467871 (E_RNA)
where:
Base-Base interactions energy: -338.656
where: short stacking energy: -142.265
Base-Backbone interact. energy: -0.489
local terms energy: -142.322477
where:
bonds (distance) C4'-P energy: -21.145
bonds (distance) P-C4' energy: -24.482
flat angles C4'-P-C4' energy: -30.324
flat angles P-C4'-P energy: -21.316
tors. eta vs tors. theta energy: -45.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -464.360060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.360060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.360060 (E_RNA)
where:
Base-Base interactions energy: -323.868
where: short stacking energy: -131.266
Base-Backbone interact. energy: -0.006
local terms energy: -150.486048
where:
bonds (distance) C4'-P energy: -27.251
bonds (distance) P-C4' energy: -27.999
flat angles C4'-P-C4' energy: -32.571
flat angles P-C4'-P energy: -19.013
tors. eta vs tors. theta energy: -43.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -425.263834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.263834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.263834 (E_RNA)
where:
Base-Base interactions energy: -311.698
where: short stacking energy: -128.885
Base-Backbone interact. energy: -0.203
local terms energy: -123.362495
where:
bonds (distance) C4'-P energy: -24.253
bonds (distance) P-C4' energy: -26.937
flat angles C4'-P-C4' energy: -24.220
flat angles P-C4'-P energy: -10.469
tors. eta vs tors. theta energy: -37.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -426.700144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.700144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.700144 (E_RNA)
where:
Base-Base interactions energy: -313.200
where: short stacking energy: -123.799
Base-Backbone interact. energy: -0.181
local terms energy: -123.319204
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -23.177
flat angles C4'-P-C4' energy: -28.208
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -40.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -129.261932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.261932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.261932 (E_RNA)
where:
Base-Base interactions energy: -55.797
where: short stacking energy: -38.047
Base-Backbone interact. energy: 0.439
local terms energy: -83.903911
where:
bonds (distance) C4'-P energy: -20.910
bonds (distance) P-C4' energy: -22.336
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -19.795
tors. eta vs tors. theta energy: -1.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -121.586606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.586606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.586606 (E_RNA)
where:
Base-Base interactions energy: -48.915
where: short stacking energy: -40.821
Base-Backbone interact. energy: -0.409
local terms energy: -82.262682
where:
bonds (distance) C4'-P energy: -16.645
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -21.984
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -9.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -494.234685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.234685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.234685 (E_RNA)
where:
Base-Base interactions energy: -352.968
where: short stacking energy: -151.562
Base-Backbone interact. energy: 0.982
local terms energy: -152.248353
where:
bonds (distance) C4'-P energy: -30.113
bonds (distance) P-C4' energy: -30.144
flat angles C4'-P-C4' energy: -29.326
flat angles P-C4'-P energy: -17.424
tors. eta vs tors. theta energy: -45.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -484.807259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.807259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.807259 (E_RNA)
where:
Base-Base interactions energy: -352.050
where: short stacking energy: -139.412
Base-Backbone interact. energy: -0.709
local terms energy: -142.048722
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -31.724
flat angles P-C4'-P energy: -20.474
tors. eta vs tors. theta energy: -42.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -474.979997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.979997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.979997 (E_RNA)
where:
Base-Base interactions energy: -338.924
where: short stacking energy: -146.327
Base-Backbone interact. energy: 0.340
local terms energy: -146.395578
where:
bonds (distance) C4'-P energy: -23.186
bonds (distance) P-C4' energy: -24.643
flat angles C4'-P-C4' energy: -31.225
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -45.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -471.009744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.009744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.009744 (E_RNA)
where:
Base-Base interactions energy: -342.326
where: short stacking energy: -137.302
Base-Backbone interact. energy: -0.420
local terms energy: -138.263167
where:
bonds (distance) C4'-P energy: -25.770
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -29.824
flat angles P-C4'-P energy: -19.004
tors. eta vs tors. theta energy: -44.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -464.484386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.484386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.484386 (E_RNA)
where:
Base-Base interactions energy: -340.881
where: short stacking energy: -136.851
Base-Backbone interact. energy: -0.016
local terms energy: -133.587638
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -26.003
flat angles C4'-P-C4' energy: -29.209
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -41.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -457.267614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.267614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.267614 (E_RNA)
where:
Base-Base interactions energy: -327.234
where: short stacking energy: -145.148
Base-Backbone interact. energy: -0.102
local terms energy: -139.931831
where:
bonds (distance) C4'-P energy: -23.438
bonds (distance) P-C4' energy: -21.388
flat angles C4'-P-C4' energy: -27.360
flat angles P-C4'-P energy: -22.083
tors. eta vs tors. theta energy: -45.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -449.189293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.189293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.189293 (E_RNA)
where:
Base-Base interactions energy: -322.103
where: short stacking energy: -127.057
Base-Backbone interact. energy: -0.026
local terms energy: -137.059659
where:
bonds (distance) C4'-P energy: -21.956
bonds (distance) P-C4' energy: -25.842
flat angles C4'-P-C4' energy: -27.914
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -41.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -429.565870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.565870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.565870 (E_RNA)
where:
Base-Base interactions energy: -303.637
where: short stacking energy: -129.201
Base-Backbone interact. energy: -0.304
local terms energy: -135.624538
where:
bonds (distance) C4'-P energy: -28.263
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -27.750
flat angles P-C4'-P energy: -18.748
tors. eta vs tors. theta energy: -37.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -134.089760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.089760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.089760 (E_RNA)
where:
Base-Base interactions energy: -58.159
where: short stacking energy: -33.060
Base-Backbone interact. energy: -0.973
local terms energy: -84.957234
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -27.631
flat angles C4'-P-C4' energy: -22.679
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: 2.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -114.532988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.532988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.532988 (E_RNA)
where:
Base-Base interactions energy: -48.194
where: short stacking energy: -43.305
Base-Backbone interact. energy: -0.754
local terms energy: -75.585315
where:
bonds (distance) C4'-P energy: -24.985
bonds (distance) P-C4' energy: -19.323
flat angles C4'-P-C4' energy: -21.891
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: 0.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -493.228929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.228929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.228929 (E_RNA)
where:
Base-Base interactions energy: -356.709
where: short stacking energy: -146.938
Base-Backbone interact. energy: -0.202
local terms energy: -146.317337
where:
bonds (distance) C4'-P energy: -25.807
bonds (distance) P-C4' energy: -24.757
flat angles C4'-P-C4' energy: -29.193
flat angles P-C4'-P energy: -24.037
tors. eta vs tors. theta energy: -42.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -492.968792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.968792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.968792 (E_RNA)
where:
Base-Base interactions energy: -350.159
where: short stacking energy: -146.642
Base-Backbone interact. energy: -0.075
local terms energy: -152.734042
where:
bonds (distance) C4'-P energy: -31.433
bonds (distance) P-C4' energy: -26.167
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -42.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -478.296833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.296833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.296833 (E_RNA)
where:
Base-Base interactions energy: -343.627
where: short stacking energy: -147.221
Base-Backbone interact. energy: 1.486
local terms energy: -146.155820
where:
bonds (distance) C4'-P energy: -23.301
bonds (distance) P-C4' energy: -28.818
flat angles C4'-P-C4' energy: -29.778
flat angles P-C4'-P energy: -17.863
tors. eta vs tors. theta energy: -46.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -469.173868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.173868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.173868 (E_RNA)
where:
Base-Base interactions energy: -335.748
where: short stacking energy: -134.656
Base-Backbone interact. energy: -0.111
local terms energy: -143.314988
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -28.284
flat angles C4'-P-C4' energy: -26.375
flat angles P-C4'-P energy: -21.402
tors. eta vs tors. theta energy: -44.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -457.820646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.820646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.820646 (E_RNA)
where:
Base-Base interactions energy: -324.935
where: short stacking energy: -136.455
Base-Backbone interact. energy: -0.143
local terms energy: -142.742787
where:
bonds (distance) C4'-P energy: -25.454
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -30.973
flat angles P-C4'-P energy: -17.829
tors. eta vs tors. theta energy: -42.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -462.217697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.217697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.217697 (E_RNA)
where:
Base-Base interactions energy: -336.274
where: short stacking energy: -141.182
Base-Backbone interact. energy: -0.007
local terms energy: -135.936959
where:
bonds (distance) C4'-P energy: -25.398
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -27.476
flat angles P-C4'-P energy: -16.162
tors. eta vs tors. theta energy: -43.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -450.479206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.479206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.479206 (E_RNA)
where:
Base-Base interactions energy: -309.951
where: short stacking energy: -135.418
Base-Backbone interact. energy: -0.010
local terms energy: -150.518051
where:
bonds (distance) C4'-P energy: -25.969
bonds (distance) P-C4' energy: -30.229
flat angles C4'-P-C4' energy: -27.908
flat angles P-C4'-P energy: -20.975
tors. eta vs tors. theta energy: -45.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -422.326182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.326182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.326182 (E_RNA)
where:
Base-Base interactions energy: -310.991
where: short stacking energy: -132.670
Base-Backbone interact. energy: -0.056
local terms energy: -121.278565
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -28.674
flat angles P-C4'-P energy: -24.442
tors. eta vs tors. theta energy: -32.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -129.080042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.080042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.080042 (E_RNA)
where:
Base-Base interactions energy: -63.395
where: short stacking energy: -55.422
Base-Backbone interact. energy: -0.207
local terms energy: -75.477576
where:
bonds (distance) C4'-P energy: -24.386
bonds (distance) P-C4' energy: -22.382
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -7.517
tors. eta vs tors. theta energy: -4.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -129.140658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.140658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.140658 (E_RNA)
where:
Base-Base interactions energy: -57.086
where: short stacking energy: -43.337
Base-Backbone interact. energy: -0.379
local terms energy: -81.675410
where:
bonds (distance) C4'-P energy: -19.456
bonds (distance) P-C4' energy: -26.726
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -497.501191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.501191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.501191 (E_RNA)
where:
Base-Base interactions energy: -351.355
where: short stacking energy: -141.893
Base-Backbone interact. energy: -0.050
local terms energy: -156.096549
where:
bonds (distance) C4'-P energy: -28.718
bonds (distance) P-C4' energy: -30.450
flat angles C4'-P-C4' energy: -31.538
flat angles P-C4'-P energy: -20.942
tors. eta vs tors. theta energy: -44.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -478.288367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.288367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.288367 (E_RNA)
where:
Base-Base interactions energy: -342.231
where: short stacking energy: -140.889
Base-Backbone interact. energy: -1.001
local terms energy: -145.056016
where:
bonds (distance) C4'-P energy: -31.387
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -27.506
flat angles P-C4'-P energy: -25.833
tors. eta vs tors. theta energy: -41.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -474.766486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.766486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.766486 (E_RNA)
where:
Base-Base interactions energy: -341.179
where: short stacking energy: -146.707
Base-Backbone interact. energy: -0.193
local terms energy: -143.394463
where:
bonds (distance) C4'-P energy: -21.443
bonds (distance) P-C4' energy: -26.147
flat angles C4'-P-C4' energy: -31.062
flat angles P-C4'-P energy: -18.174
tors. eta vs tors. theta energy: -46.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -475.341757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.341757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.341757 (E_RNA)
where:
Base-Base interactions energy: -344.038
where: short stacking energy: -144.568
Base-Backbone interact. energy: -0.821
local terms energy: -140.482868
where:
bonds (distance) C4'-P energy: -23.223
bonds (distance) P-C4' energy: -23.409
flat angles C4'-P-C4' energy: -30.629
flat angles P-C4'-P energy: -21.084
tors. eta vs tors. theta energy: -42.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -480.779701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.779701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.779701 (E_RNA)
where:
Base-Base interactions energy: -333.481
where: short stacking energy: -142.211
Base-Backbone interact. energy: -0.962
local terms energy: -156.336248
where:
bonds (distance) C4'-P energy: -31.228
bonds (distance) P-C4' energy: -26.411
flat angles C4'-P-C4' energy: -30.137
flat angles P-C4'-P energy: -24.428
tors. eta vs tors. theta energy: -44.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -456.203036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.203036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.203036 (E_RNA)
where:
Base-Base interactions energy: -333.374
where: short stacking energy: -134.220
Base-Backbone interact. energy: -0.255
local terms energy: -132.573716
where:
bonds (distance) C4'-P energy: -29.847
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -24.235
flat angles P-C4'-P energy: -14.100
tors. eta vs tors. theta energy: -44.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -448.722415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.722415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.722415 (E_RNA)
where:
Base-Base interactions energy: -323.557
where: short stacking energy: -130.835
Base-Backbone interact. energy: -0.085
local terms energy: -135.080720
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -22.693
flat angles C4'-P-C4' energy: -29.731
flat angles P-C4'-P energy: -23.261
tors. eta vs tors. theta energy: -37.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -423.538824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.538824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.538824 (E_RNA)
where:
Base-Base interactions energy: -306.593
where: short stacking energy: -135.909
Base-Backbone interact. energy: -0.375
local terms energy: -126.570948
where:
bonds (distance) C4'-P energy: -29.520
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -26.585
flat angles P-C4'-P energy: -19.714
tors. eta vs tors. theta energy: -38.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -149.286388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.286388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.286388 (E_RNA)
where:
Base-Base interactions energy: -63.461
where: short stacking energy: -45.423
Base-Backbone interact. energy: -0.590
local terms energy: -95.235397
where:
bonds (distance) C4'-P energy: -20.259
bonds (distance) P-C4' energy: -27.758
flat angles C4'-P-C4' energy: -25.112
flat angles P-C4'-P energy: -13.559
tors. eta vs tors. theta energy: -8.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -146.087639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.087639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.087639 (E_RNA)
where:
Base-Base interactions energy: -67.460
where: short stacking energy: -44.180
Base-Backbone interact. energy: -0.045
local terms energy: -88.582057
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -28.620
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -15.516
tors. eta vs tors. theta energy: -2.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -496.132834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.132834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.132834 (E_RNA)
where:
Base-Base interactions energy: -361.947
where: short stacking energy: -147.541
Base-Backbone interact. energy: -0.413
local terms energy: -143.772814
where:
bonds (distance) C4'-P energy: -27.024
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -29.036
flat angles P-C4'-P energy: -21.991
tors. eta vs tors. theta energy: -42.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -478.964773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.964773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.964773 (E_RNA)
where:
Base-Base interactions energy: -347.511
where: short stacking energy: -142.145
Base-Backbone interact. energy: -0.125
local terms energy: -141.328477
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -29.918
flat angles C4'-P-C4' energy: -27.252
flat angles P-C4'-P energy: -19.431
tors. eta vs tors. theta energy: -42.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -476.778580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.778580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.778580 (E_RNA)
where:
Base-Base interactions energy: -339.550
where: short stacking energy: -140.192
Base-Backbone interact. energy: -1.210
local terms energy: -146.018674
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -28.642
flat angles C4'-P-C4' energy: -31.325
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -44.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -479.501890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.501890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.501890 (E_RNA)
where:
Base-Base interactions energy: -345.670
where: short stacking energy: -150.980
Base-Backbone interact. energy: -0.022
local terms energy: -143.809152
where:
bonds (distance) C4'-P energy: -22.790
bonds (distance) P-C4' energy: -25.682
flat angles C4'-P-C4' energy: -31.862
flat angles P-C4'-P energy: -18.510
tors. eta vs tors. theta energy: -44.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -440.276148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.276148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.276148 (E_RNA)
where:
Base-Base interactions energy: -319.627
where: short stacking energy: -132.526
Base-Backbone interact. energy: -0.284
local terms energy: -130.365069
where:
bonds (distance) C4'-P energy: -24.017
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -27.073
flat angles P-C4'-P energy: -18.633
tors. eta vs tors. theta energy: -40.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -453.286272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.286272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.286272 (E_RNA)
where:
Base-Base interactions energy: -329.235
where: short stacking energy: -138.088
Base-Backbone interact. energy: -0.021
local terms energy: -134.029843
where:
bonds (distance) C4'-P energy: -21.204
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -29.164
flat angles P-C4'-P energy: -23.767
tors. eta vs tors. theta energy: -40.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -444.630177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.630177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.630177 (E_RNA)
where:
Base-Base interactions energy: -327.024
where: short stacking energy: -144.880
Base-Backbone interact. energy: 3.123
local terms energy: -130.729463
where:
bonds (distance) C4'-P energy: -28.805
bonds (distance) P-C4' energy: -21.108
flat angles C4'-P-C4' energy: -23.762
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -43.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -423.472245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.472245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.472245 (E_RNA)
where:
Base-Base interactions energy: -304.376
where: short stacking energy: -131.754
Base-Backbone interact. energy: -0.317
local terms energy: -128.779023
where:
bonds (distance) C4'-P energy: -25.844
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -23.219
flat angles P-C4'-P energy: -15.254
tors. eta vs tors. theta energy: -40.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -131.637628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.637628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.637628 (E_RNA)
where:
Base-Base interactions energy: -45.141
where: short stacking energy: -44.606
Base-Backbone interact. energy: 0.002
local terms energy: -96.497928
where:
bonds (distance) C4'-P energy: -23.275
bonds (distance) P-C4' energy: -27.958
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -6.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -120.036038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.036038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.036038 (E_RNA)
where:
Base-Base interactions energy: -45.411
where: short stacking energy: -25.559
Base-Backbone interact. energy: -0.588
local terms energy: -84.036669
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -25.857
flat angles C4'-P-C4' energy: -22.489
flat angles P-C4'-P energy: -19.043
tors. eta vs tors. theta energy: 0.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -487.901178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.901178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.901178 (E_RNA)
where:
Base-Base interactions energy: -344.244
where: short stacking energy: -141.147
Base-Backbone interact. energy: -0.619
local terms energy: -153.038349
where:
bonds (distance) C4'-P energy: -28.029
bonds (distance) P-C4' energy: -27.162
flat angles C4'-P-C4' energy: -33.020
flat angles P-C4'-P energy: -19.132
tors. eta vs tors. theta energy: -45.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -496.159443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.159443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.159443 (E_RNA)
where:
Base-Base interactions energy: -362.232
where: short stacking energy: -140.262
Base-Backbone interact. energy: -0.523
local terms energy: -143.404824
where:
bonds (distance) C4'-P energy: -25.886
bonds (distance) P-C4' energy: -24.744
flat angles C4'-P-C4' energy: -28.410
flat angles P-C4'-P energy: -20.994
tors. eta vs tors. theta energy: -43.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -485.846081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.846081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.846081 (E_RNA)
where:
Base-Base interactions energy: -352.165
where: short stacking energy: -147.894
Base-Backbone interact. energy: -0.093
local terms energy: -143.587562
where:
bonds (distance) C4'-P energy: -30.270
bonds (distance) P-C4' energy: -24.708
flat angles C4'-P-C4' energy: -26.539
flat angles P-C4'-P energy: -20.134
tors. eta vs tors. theta energy: -41.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -468.278718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.278718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.278718 (E_RNA)
where:
Base-Base interactions energy: -333.689
where: short stacking energy: -135.360
Base-Backbone interact. energy: -0.727
local terms energy: -143.862503
where:
bonds (distance) C4'-P energy: -25.528
bonds (distance) P-C4' energy: -28.509
flat angles C4'-P-C4' energy: -29.067
flat angles P-C4'-P energy: -18.129
tors. eta vs tors. theta energy: -42.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -431.517397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.517397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.517397 (E_RNA)
where:
Base-Base interactions energy: -306.569
where: short stacking energy: -132.202
Base-Backbone interact. energy: 1.626
local terms energy: -136.574000
where:
bonds (distance) C4'-P energy: -23.444
bonds (distance) P-C4' energy: -29.218
flat angles C4'-P-C4' energy: -25.077
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: -37.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -446.906812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.906812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.906812 (E_RNA)
where:
Base-Base interactions energy: -309.581
where: short stacking energy: -130.514
Base-Backbone interact. energy: -0.285
local terms energy: -147.040944
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -25.129
flat angles C4'-P-C4' energy: -28.419
flat angles P-C4'-P energy: -24.077
tors. eta vs tors. theta energy: -42.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -447.814664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.814664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.814664 (E_RNA)
where:
Base-Base interactions energy: -318.834
where: short stacking energy: -134.797
Base-Backbone interact. energy: -0.773
local terms energy: -138.206901
where:
bonds (distance) C4'-P energy: -25.596
bonds (distance) P-C4' energy: -25.764
flat angles C4'-P-C4' energy: -29.250
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -39.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -444.206308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.206308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.206308 (E_RNA)
where:
Base-Base interactions energy: -330.131
where: short stacking energy: -141.246
Base-Backbone interact. energy: -0.403
local terms energy: -123.671939
where:
bonds (distance) C4'-P energy: -23.379
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -22.620
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -45.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -128.784976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.784976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.784976 (E_RNA)
where:
Base-Base interactions energy: -59.347
where: short stacking energy: -41.778
Base-Backbone interact. energy: -0.643
local terms energy: -78.795151
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -23.983
flat angles C4'-P-C4' energy: -23.403
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -1.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -117.749936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.749936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.749936 (E_RNA)
where:
Base-Base interactions energy: -50.371
where: short stacking energy: -19.895
Base-Backbone interact. energy: -0.559
local terms energy: -76.819812
where:
bonds (distance) C4'-P energy: -25.419
bonds (distance) P-C4' energy: -25.991
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: 3.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -499.838748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.838748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.838748 (E_RNA)
where:
Base-Base interactions energy: -353.581
where: short stacking energy: -143.095
Base-Backbone interact. energy: -0.273
local terms energy: -155.984922
where:
bonds (distance) C4'-P energy: -30.203
bonds (distance) P-C4' energy: -26.714
flat angles C4'-P-C4' energy: -33.371
flat angles P-C4'-P energy: -19.716
tors. eta vs tors. theta energy: -45.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -485.722142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.722142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.722142 (E_RNA)
where:
Base-Base interactions energy: -339.122
where: short stacking energy: -144.280
Base-Backbone interact. energy: -0.868
local terms energy: -155.732932
where:
bonds (distance) C4'-P energy: -30.046
bonds (distance) P-C4' energy: -28.570
flat angles C4'-P-C4' energy: -27.771
flat angles P-C4'-P energy: -24.452
tors. eta vs tors. theta energy: -44.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -476.052235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.052235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.052235 (E_RNA)
where:
Base-Base interactions energy: -338.616
where: short stacking energy: -141.227
Base-Backbone interact. energy: -0.031
local terms energy: -147.404448
where:
bonds (distance) C4'-P energy: -28.493
bonds (distance) P-C4' energy: -25.426
flat angles C4'-P-C4' energy: -29.713
flat angles P-C4'-P energy: -21.822
tors. eta vs tors. theta energy: -41.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -473.965549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.965549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.965549 (E_RNA)
where:
Base-Base interactions energy: -333.115
where: short stacking energy: -136.283
Base-Backbone interact. energy: -0.359
local terms energy: -150.490914
where:
bonds (distance) C4'-P energy: -29.757
bonds (distance) P-C4' energy: -26.073
flat angles C4'-P-C4' energy: -32.253
flat angles P-C4'-P energy: -23.674
tors. eta vs tors. theta energy: -38.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -467.879886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.879886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.879886 (E_RNA)
where:
Base-Base interactions energy: -341.642
where: short stacking energy: -136.456
Base-Backbone interact. energy: -0.361
local terms energy: -135.876931
where:
bonds (distance) C4'-P energy: -26.859
bonds (distance) P-C4' energy: -29.320
flat angles C4'-P-C4' energy: -30.514
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -40.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -439.038989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.038989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.038989 (E_RNA)
where:
Base-Base interactions energy: -309.797
where: short stacking energy: -131.035
Base-Backbone interact. energy: -0.673
local terms energy: -138.568140
where:
bonds (distance) C4'-P energy: -28.307
bonds (distance) P-C4' energy: -29.007
flat angles C4'-P-C4' energy: -22.567
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -37.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -445.273791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.273791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.273791 (E_RNA)
where:
Base-Base interactions energy: -327.443
where: short stacking energy: -128.892
Base-Backbone interact. energy: -0.564
local terms energy: -127.267330
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -26.520
flat angles C4'-P-C4' energy: -27.465
flat angles P-C4'-P energy: -13.547
tors. eta vs tors. theta energy: -38.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -445.716387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.716387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.716387 (E_RNA)
where:
Base-Base interactions energy: -327.294
where: short stacking energy: -140.877
Base-Backbone interact. energy: -0.396
local terms energy: -128.025914
where:
bonds (distance) C4'-P energy: -21.436
bonds (distance) P-C4' energy: -20.480
flat angles C4'-P-C4' energy: -26.468
flat angles P-C4'-P energy: -19.014
tors. eta vs tors. theta energy: -40.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -145.340613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.340613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.340613 (E_RNA)
where:
Base-Base interactions energy: -67.958
where: short stacking energy: -32.111
Base-Backbone interact. energy: 0.551
local terms energy: -87.932984
where:
bonds (distance) C4'-P energy: -23.028
bonds (distance) P-C4' energy: -26.438
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -16.566
tors. eta vs tors. theta energy: -4.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -105.479962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.479962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.479962 (E_RNA)
where:
Base-Base interactions energy: -25.567
where: short stacking energy: -24.876
Base-Backbone interact. energy: -0.445
local terms energy: -89.468668
where:
bonds (distance) C4'-P energy: -26.747
bonds (distance) P-C4' energy: -30.923
flat angles C4'-P-C4' energy: -24.246
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: 4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -501.697173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.697173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.697173 (E_RNA)
where:
Base-Base interactions energy: -362.138
where: short stacking energy: -142.834
Base-Backbone interact. energy: -0.106
local terms energy: -149.452668
where:
bonds (distance) C4'-P energy: -27.753
bonds (distance) P-C4' energy: -25.044
flat angles C4'-P-C4' energy: -32.104
flat angles P-C4'-P energy: -21.327
tors. eta vs tors. theta energy: -43.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -495.178315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.178315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.178315 (E_RNA)
where:
Base-Base interactions energy: -346.735
where: short stacking energy: -142.536
Base-Backbone interact. energy: -0.825
local terms energy: -157.618694
where:
bonds (distance) C4'-P energy: -28.077
bonds (distance) P-C4' energy: -27.992
flat angles C4'-P-C4' energy: -33.719
flat angles P-C4'-P energy: -25.378
tors. eta vs tors. theta energy: -42.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -480.907409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.907409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.907409 (E_RNA)
where:
Base-Base interactions energy: -344.622
where: short stacking energy: -147.170
Base-Backbone interact. energy: 1.678
local terms energy: -147.963902
where:
bonds (distance) C4'-P energy: -30.465
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -29.816
flat angles P-C4'-P energy: -19.230
tors. eta vs tors. theta energy: -46.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -472.970700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.970700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.970700 (E_RNA)
where:
Base-Base interactions energy: -342.041
where: short stacking energy: -133.848
Base-Backbone interact. energy: -0.208
local terms energy: -140.720814
where:
bonds (distance) C4'-P energy: -22.606
bonds (distance) P-C4' energy: -26.638
flat angles C4'-P-C4' energy: -30.453
flat angles P-C4'-P energy: -18.544
tors. eta vs tors. theta energy: -42.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -469.959464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.959464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.959464 (E_RNA)
where:
Base-Base interactions energy: -340.461
where: short stacking energy: -140.469
Base-Backbone interact. energy: -0.023
local terms energy: -139.475115
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -28.504
flat angles C4'-P-C4' energy: -25.390
flat angles P-C4'-P energy: -22.941
tors. eta vs tors. theta energy: -44.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -456.616204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.616204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.616204 (E_RNA)
where:
Base-Base interactions energy: -332.205
where: short stacking energy: -141.294
Base-Backbone interact. energy: -0.306
local terms energy: -134.104630
where:
bonds (distance) C4'-P energy: -21.493
bonds (distance) P-C4' energy: -23.098
flat angles C4'-P-C4' energy: -28.711
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -41.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -441.312520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.312520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.312520 (E_RNA)
where:
Base-Base interactions energy: -311.519
where: short stacking energy: -128.802
Base-Backbone interact. energy: -0.238
local terms energy: -139.555028
where:
bonds (distance) C4'-P energy: -27.910
bonds (distance) P-C4' energy: -29.252
flat angles C4'-P-C4' energy: -26.280
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -39.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -410.880576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.880576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.880576 (E_RNA)
where:
Base-Base interactions energy: -299.737
where: short stacking energy: -132.802
Base-Backbone interact. energy: -0.013
local terms energy: -121.130334
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -16.300
tors. eta vs tors. theta energy: -40.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -129.552384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.552384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.552384 (E_RNA)
where:
Base-Base interactions energy: -50.017
where: short stacking energy: -34.175
Base-Backbone interact. energy: -0.255
local terms energy: -89.280038
where:
bonds (distance) C4'-P energy: -25.733
bonds (distance) P-C4' energy: -23.263
flat angles C4'-P-C4' energy: -24.204
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -1.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -123.563588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.563588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.563588 (E_RNA)
where:
Base-Base interactions energy: -57.165
where: short stacking energy: -37.342
Base-Backbone interact. energy: -0.286
local terms energy: -76.112570
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -21.992
flat angles C4'-P-C4' energy: -20.833
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -1.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -495.501189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.501189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.501189 (E_RNA)
where:
Base-Base interactions energy: -352.962
where: short stacking energy: -146.044
Base-Backbone interact. energy: 0.163
local terms energy: -152.702660
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -26.814
flat angles C4'-P-C4' energy: -35.119
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -44.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -495.666922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.666922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.666922 (E_RNA)
where:
Base-Base interactions energy: -353.984
where: short stacking energy: -136.895
Base-Backbone interact. energy: -0.111
local terms energy: -151.572198
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -26.357
flat angles C4'-P-C4' energy: -33.677
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: -43.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -470.263828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.263828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.263828 (E_RNA)
where:
Base-Base interactions energy: -340.384
where: short stacking energy: -136.911
Base-Backbone interact. energy: -0.006
local terms energy: -139.873130
where:
bonds (distance) C4'-P energy: -27.318
bonds (distance) P-C4' energy: -25.491
flat angles C4'-P-C4' energy: -24.325
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -41.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -478.612096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.612096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.612096 (E_RNA)
where:
Base-Base interactions energy: -340.626
where: short stacking energy: -148.929
Base-Backbone interact. energy: -0.150
local terms energy: -147.836255
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -30.812
flat angles C4'-P-C4' energy: -28.845
flat angles P-C4'-P energy: -23.116
tors. eta vs tors. theta energy: -45.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -475.707845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.707845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.707845 (E_RNA)
where:
Base-Base interactions energy: -336.361
where: short stacking energy: -154.503
Base-Backbone interact. energy: -0.353
local terms energy: -148.993743
where:
bonds (distance) C4'-P energy: -29.868
bonds (distance) P-C4' energy: -24.222
flat angles C4'-P-C4' energy: -29.538
flat angles P-C4'-P energy: -20.232
tors. eta vs tors. theta energy: -45.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -452.138574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.138574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.138574 (E_RNA)
where:
Base-Base interactions energy: -325.239
where: short stacking energy: -138.248
Base-Backbone interact. energy: -0.216
local terms energy: -136.683498
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -23.663
flat angles C4'-P-C4' energy: -26.690
flat angles P-C4'-P energy: -19.998
tors. eta vs tors. theta energy: -41.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -422.119105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.119105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.119105 (E_RNA)
where:
Base-Base interactions energy: -308.402
where: short stacking energy: -128.389
Base-Backbone interact. energy: -0.498
local terms energy: -123.219041
where:
bonds (distance) C4'-P energy: -26.526
bonds (distance) P-C4' energy: -23.660
flat angles C4'-P-C4' energy: -20.344
flat angles P-C4'-P energy: -15.483
tors. eta vs tors. theta energy: -37.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -414.635684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.635684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.635684 (E_RNA)
where:
Base-Base interactions energy: -308.383
where: short stacking energy: -117.855
Base-Backbone interact. energy: -0.641
local terms energy: -115.612168
where:
bonds (distance) C4'-P energy: -21.365
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -22.407
flat angles P-C4'-P energy: -19.449
tors. eta vs tors. theta energy: -37.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -162.552217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.552217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.552217 (E_RNA)
where:
Base-Base interactions energy: -99.645
where: short stacking energy: -67.535
Base-Backbone interact. energy: 2.201
local terms energy: -75.108820
where:
bonds (distance) C4'-P energy: -22.690
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -18.893
tors. eta vs tors. theta energy: -0.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -129.723804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.723804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.723804 (E_RNA)
where:
Base-Base interactions energy: -53.654
where: short stacking energy: -54.323
Base-Backbone interact. energy: -0.540
local terms energy: -85.530116
where:
bonds (distance) C4'-P energy: -25.878
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -20.969
flat angles P-C4'-P energy: -20.092
tors. eta vs tors. theta energy: -0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -497.803064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.803064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.803064 (E_RNA)
where:
Base-Base interactions energy: -350.371
where: short stacking energy: -152.966
Base-Backbone interact. energy: -0.003
local terms energy: -157.429499
where:
bonds (distance) C4'-P energy: -30.647
bonds (distance) P-C4' energy: -26.682
flat angles C4'-P-C4' energy: -29.297
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -48.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -488.445487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.445487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.445487 (E_RNA)
where:
Base-Base interactions energy: -345.839
where: short stacking energy: -152.139
Base-Backbone interact. energy: -0.003
local terms energy: -152.603725
where:
bonds (distance) C4'-P energy: -24.495
bonds (distance) P-C4' energy: -28.325
flat angles C4'-P-C4' energy: -30.070
flat angles P-C4'-P energy: -24.221
tors. eta vs tors. theta energy: -45.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -478.830176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.830176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.830176 (E_RNA)
where:
Base-Base interactions energy: -341.013
where: short stacking energy: -140.234
Base-Backbone interact. energy: -0.295
local terms energy: -147.522234
where:
bonds (distance) C4'-P energy: -24.540
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -24.764
tors. eta vs tors. theta energy: -44.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -488.797521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.797521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.797521 (E_RNA)
where:
Base-Base interactions energy: -347.185
where: short stacking energy: -145.720
Base-Backbone interact. energy: -0.789
local terms energy: -150.823551
where:
bonds (distance) C4'-P energy: -25.029
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -28.382
flat angles P-C4'-P energy: -25.306
tors. eta vs tors. theta energy: -43.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -469.875873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.875873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.875873 (E_RNA)
where:
Base-Base interactions energy: -335.123
where: short stacking energy: -137.590
Base-Backbone interact. energy: -0.002
local terms energy: -144.750181
where:
bonds (distance) C4'-P energy: -24.808
bonds (distance) P-C4' energy: -25.485
flat angles C4'-P-C4' energy: -30.316
flat angles P-C4'-P energy: -20.614
tors. eta vs tors. theta energy: -43.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -446.260209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.260209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.260209 (E_RNA)
where:
Base-Base interactions energy: -314.908
where: short stacking energy: -128.743
Base-Backbone interact. energy: -0.087
local terms energy: -141.264982
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -24.945
flat angles C4'-P-C4' energy: -29.738
flat angles P-C4'-P energy: -25.414
tors. eta vs tors. theta energy: -36.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -451.580971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.580971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.580971 (E_RNA)
where:
Base-Base interactions energy: -323.693
where: short stacking energy: -140.854
Base-Backbone interact. energy: -0.105
local terms energy: -137.783020
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -29.866
flat angles C4'-P-C4' energy: -28.381
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -43.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -437.417572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.417572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.417572 (E_RNA)
where:
Base-Base interactions energy: -319.414
where: short stacking energy: -125.946
Base-Backbone interact. energy: -0.065
local terms energy: -127.938140
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -30.744
flat angles P-C4'-P energy: -18.175
tors. eta vs tors. theta energy: -38.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -216.487887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.487887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.487887 (E_RNA)
where:
Base-Base interactions energy: -137.138
where: short stacking energy: -65.639
Base-Backbone interact. energy: -0.801
local terms energy: -88.549210
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -22.283
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -14.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -125.459624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.459624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.459624 (E_RNA)
where:
Base-Base interactions energy: -53.002
where: short stacking energy: -53.102
Base-Backbone interact. energy: -0.275
local terms energy: -82.182755
where:
bonds (distance) C4'-P energy: -21.947
bonds (distance) P-C4' energy: -21.566
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -501.486607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.486607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.486607 (E_RNA)
where:
Base-Base interactions energy: -358.299
where: short stacking energy: -149.935
Base-Backbone interact. energy: 1.781
local terms energy: -154.968908
where:
bonds (distance) C4'-P energy: -23.744
bonds (distance) P-C4' energy: -28.893
flat angles C4'-P-C4' energy: -33.365
flat angles P-C4'-P energy: -21.656
tors. eta vs tors. theta energy: -47.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -492.011398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.011398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.011398 (E_RNA)
where:
Base-Base interactions energy: -342.532
where: short stacking energy: -151.155
Base-Backbone interact. energy: -0.575
local terms energy: -158.903870
where:
bonds (distance) C4'-P energy: -29.380
bonds (distance) P-C4' energy: -31.271
flat angles C4'-P-C4' energy: -30.807
flat angles P-C4'-P energy: -22.737
tors. eta vs tors. theta energy: -44.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -485.846226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.846226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.846226 (E_RNA)
where:
Base-Base interactions energy: -341.081
where: short stacking energy: -150.583
Base-Backbone interact. energy: -0.577
local terms energy: -154.188506
where:
bonds (distance) C4'-P energy: -29.096
bonds (distance) P-C4' energy: -29.278
flat angles C4'-P-C4' energy: -27.421
flat angles P-C4'-P energy: -22.764
tors. eta vs tors. theta energy: -45.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -462.607636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.607636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.607636 (E_RNA)
where:
Base-Base interactions energy: -327.226
where: short stacking energy: -124.527
Base-Backbone interact. energy: -0.132
local terms energy: -145.248675
where:
bonds (distance) C4'-P energy: -26.372
bonds (distance) P-C4' energy: -27.255
flat angles C4'-P-C4' energy: -28.160
flat angles P-C4'-P energy: -23.648
tors. eta vs tors. theta energy: -39.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -453.080716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.080716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.080716 (E_RNA)
where:
Base-Base interactions energy: -328.911
where: short stacking energy: -133.759
Base-Backbone interact. energy: 1.270
local terms energy: -135.440389
where:
bonds (distance) C4'-P energy: -28.424
bonds (distance) P-C4' energy: -20.611
flat angles C4'-P-C4' energy: -30.397
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -41.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -465.343344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.343344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.343344 (E_RNA)
where:
Base-Base interactions energy: -334.742
where: short stacking energy: -148.539
Base-Backbone interact. energy: 0.226
local terms energy: -140.827483
where:
bonds (distance) C4'-P energy: -28.348
bonds (distance) P-C4' energy: -25.935
flat angles C4'-P-C4' energy: -25.458
flat angles P-C4'-P energy: -17.103
tors. eta vs tors. theta energy: -43.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -449.058978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.058978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.058978 (E_RNA)
where:
Base-Base interactions energy: -321.577
where: short stacking energy: -140.816
Base-Backbone interact. energy: -0.005
local terms energy: -137.476673
where:
bonds (distance) C4'-P energy: -21.976
bonds (distance) P-C4' energy: -27.793
flat angles C4'-P-C4' energy: -26.742
flat angles P-C4'-P energy: -17.093
tors. eta vs tors. theta energy: -43.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -420.397067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.397067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.397067 (E_RNA)
where:
Base-Base interactions energy: -294.972
where: short stacking energy: -122.778
Base-Backbone interact. energy: -0.099
local terms energy: -135.325976
where:
bonds (distance) C4'-P energy: -24.093
bonds (distance) P-C4' energy: -26.934
flat angles C4'-P-C4' energy: -30.985
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -38.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -192.133320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.133320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.133320 (E_RNA)
where:
Base-Base interactions energy: -112.149
where: short stacking energy: -57.228
Base-Backbone interact. energy: 0.888
local terms energy: -90.872717
where:
bonds (distance) C4'-P energy: -19.812
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -24.914
flat angles P-C4'-P energy: -19.081
tors. eta vs tors. theta energy: -6.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -120.276731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.276731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.276731 (E_RNA)
where:
Base-Base interactions energy: -58.273
where: short stacking energy: -42.309
Base-Backbone interact. energy: -0.946
local terms energy: -71.057530
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -22.901
flat angles C4'-P-C4' energy: -22.435
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: 1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -495.284691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.284691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.284691 (E_RNA)
where:
Base-Base interactions energy: -352.286
where: short stacking energy: -152.418
Base-Backbone interact. energy: -0.600
local terms energy: -152.399028
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -24.400
flat angles C4'-P-C4' energy: -32.944
flat angles P-C4'-P energy: -26.523
tors. eta vs tors. theta energy: -45.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -489.740707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.740707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.740707 (E_RNA)
where:
Base-Base interactions energy: -350.596
where: short stacking energy: -153.799
Base-Backbone interact. energy: 0.189
local terms energy: -149.333849
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -28.149
flat angles C4'-P-C4' energy: -27.598
flat angles P-C4'-P energy: -21.720
tors. eta vs tors. theta energy: -47.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -491.345093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.345093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.345093 (E_RNA)
where:
Base-Base interactions energy: -348.210
where: short stacking energy: -150.890
Base-Backbone interact. energy: -0.539
local terms energy: -152.596208
where:
bonds (distance) C4'-P energy: -29.772
bonds (distance) P-C4' energy: -26.794
flat angles C4'-P-C4' energy: -28.671
flat angles P-C4'-P energy: -20.202
tors. eta vs tors. theta energy: -47.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -469.732322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.732322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.732322 (E_RNA)
where:
Base-Base interactions energy: -334.589
where: short stacking energy: -143.553
Base-Backbone interact. energy: -0.304
local terms energy: -144.839178
where:
bonds (distance) C4'-P energy: -24.445
bonds (distance) P-C4' energy: -24.363
flat angles C4'-P-C4' energy: -30.792
flat angles P-C4'-P energy: -19.815
tors. eta vs tors. theta energy: -45.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -463.654296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.654296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.654296 (E_RNA)
where:
Base-Base interactions energy: -328.852
where: short stacking energy: -130.656
Base-Backbone interact. energy: -0.154
local terms energy: -144.648476
where:
bonds (distance) C4'-P energy: -26.941
bonds (distance) P-C4' energy: -26.413
flat angles C4'-P-C4' energy: -28.359
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -42.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -438.990916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.990916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.990916 (E_RNA)
where:
Base-Base interactions energy: -320.119
where: short stacking energy: -132.578
Base-Backbone interact. energy: -0.870
local terms energy: -128.001509
where:
bonds (distance) C4'-P energy: -20.921
bonds (distance) P-C4' energy: -20.938
flat angles C4'-P-C4' energy: -28.213
flat angles P-C4'-P energy: -20.136
tors. eta vs tors. theta energy: -37.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -457.349779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.349779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.349779 (E_RNA)
where:
Base-Base interactions energy: -326.529
where: short stacking energy: -138.245
Base-Backbone interact. energy: -0.262
local terms energy: -140.557873
where:
bonds (distance) C4'-P energy: -24.044
bonds (distance) P-C4' energy: -28.076
flat angles C4'-P-C4' energy: -28.776
flat angles P-C4'-P energy: -18.828
tors. eta vs tors. theta energy: -40.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -418.589918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.589918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.589918 (E_RNA)
where:
Base-Base interactions energy: -309.324
where: short stacking energy: -135.595
Base-Backbone interact. energy: -0.034
local terms energy: -119.231825
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -24.635
flat angles P-C4'-P energy: -18.731
tors. eta vs tors. theta energy: -38.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -212.749027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.749027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.749027 (E_RNA)
where:
Base-Base interactions energy: -122.666
where: short stacking energy: -56.220
Base-Backbone interact. energy: -0.570
local terms energy: -99.513700
where:
bonds (distance) C4'-P energy: -22.866
bonds (distance) P-C4' energy: -28.925
flat angles C4'-P-C4' energy: -23.871
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -10.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -114.338207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.338207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.338207 (E_RNA)
where:
Base-Base interactions energy: -34.318
where: short stacking energy: -34.318
Base-Backbone interact. energy: -1.681
local terms energy: -88.339219
where:
bonds (distance) C4'-P energy: -25.670
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -28.329
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -0.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -500.112343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.112343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.112343 (E_RNA)
where:
Base-Base interactions energy: -356.117
where: short stacking energy: -146.229
Base-Backbone interact. energy: -0.268
local terms energy: -153.727493
where:
bonds (distance) C4'-P energy: -24.879
bonds (distance) P-C4' energy: -26.607
flat angles C4'-P-C4' energy: -32.743
flat angles P-C4'-P energy: -22.804
tors. eta vs tors. theta energy: -46.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -489.850290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.850290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.850290 (E_RNA)
where:
Base-Base interactions energy: -354.420
where: short stacking energy: -145.600
Base-Backbone interact. energy: -0.201
local terms energy: -145.230118
where:
bonds (distance) C4'-P energy: -28.004
bonds (distance) P-C4' energy: -25.549
flat angles C4'-P-C4' energy: -31.034
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -44.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -481.970799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.970799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.970799 (E_RNA)
where:
Base-Base interactions energy: -347.367
where: short stacking energy: -151.374
Base-Backbone interact. energy: -0.006
local terms energy: -144.596991
where:
bonds (distance) C4'-P energy: -24.581
bonds (distance) P-C4' energy: -26.211
flat angles C4'-P-C4' energy: -29.406
flat angles P-C4'-P energy: -21.319
tors. eta vs tors. theta energy: -43.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -474.391147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.391147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.391147 (E_RNA)
where:
Base-Base interactions energy: -331.996
where: short stacking energy: -137.854
Base-Backbone interact. energy: -0.242
local terms energy: -152.153511
where:
bonds (distance) C4'-P energy: -27.972
bonds (distance) P-C4' energy: -25.995
flat angles C4'-P-C4' energy: -30.850
flat angles P-C4'-P energy: -22.700
tors. eta vs tors. theta energy: -44.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -456.155072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.155072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.155072 (E_RNA)
where:
Base-Base interactions energy: -322.947
where: short stacking energy: -133.423
Base-Backbone interact. energy: -0.002
local terms energy: -143.206007
where:
bonds (distance) C4'-P energy: -25.461
bonds (distance) P-C4' energy: -28.699
flat angles C4'-P-C4' energy: -26.535
flat angles P-C4'-P energy: -17.307
tors. eta vs tors. theta energy: -45.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -439.803344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.803344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.803344 (E_RNA)
where:
Base-Base interactions energy: -318.584
where: short stacking energy: -130.077
Base-Backbone interact. energy: -0.324
local terms energy: -130.895931
where:
bonds (distance) C4'-P energy: -24.313
bonds (distance) P-C4' energy: -23.192
flat angles C4'-P-C4' energy: -28.513
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -40.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -453.505605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.505605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.505605 (E_RNA)
where:
Base-Base interactions energy: -314.322
where: short stacking energy: -141.878
Base-Backbone interact. energy: -0.318
local terms energy: -148.866068
where:
bonds (distance) C4'-P energy: -24.865
bonds (distance) P-C4' energy: -25.973
flat angles C4'-P-C4' energy: -27.778
flat angles P-C4'-P energy: -26.536
tors. eta vs tors. theta energy: -43.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -428.736297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.736297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.736297 (E_RNA)
where:
Base-Base interactions energy: -311.394
where: short stacking energy: -127.233
Base-Backbone interact. energy: -0.104
local terms energy: -127.238399
where:
bonds (distance) C4'-P energy: -22.800
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -24.388
flat angles P-C4'-P energy: -19.437
tors. eta vs tors. theta energy: -35.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -206.334635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.334635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.334635 (E_RNA)
where:
Base-Base interactions energy: -121.117
where: short stacking energy: -65.636
Base-Backbone interact. energy: -0.894
local terms energy: -94.323302
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -19.349
flat angles C4'-P-C4' energy: -23.420
flat angles P-C4'-P energy: -21.587
tors. eta vs tors. theta energy: -15.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -116.921841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.921841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.921841 (E_RNA)
where:
Base-Base interactions energy: -53.831
where: short stacking energy: -47.237
Base-Backbone interact. energy: -0.073
local terms energy: -73.017973
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -26.144
flat angles P-C4'-P energy: -3.670
tors. eta vs tors. theta energy: -4.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -503.863236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.863236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.863236 (E_RNA)
where:
Base-Base interactions energy: -347.418
where: short stacking energy: -152.604
Base-Backbone interact. energy: -1.058
local terms energy: -165.386807
where:
bonds (distance) C4'-P energy: -29.567
bonds (distance) P-C4' energy: -31.725
flat angles C4'-P-C4' energy: -33.956
flat angles P-C4'-P energy: -21.204
tors. eta vs tors. theta energy: -48.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -492.373541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.373541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.373541 (E_RNA)
where:
Base-Base interactions energy: -347.770
where: short stacking energy: -150.756
Base-Backbone interact. energy: -0.017
local terms energy: -154.586376
where:
bonds (distance) C4'-P energy: -24.967
bonds (distance) P-C4' energy: -28.965
flat angles C4'-P-C4' energy: -31.006
flat angles P-C4'-P energy: -19.592
tors. eta vs tors. theta energy: -50.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -488.935580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.935580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.935580 (E_RNA)
where:
Base-Base interactions energy: -344.381
where: short stacking energy: -144.854
Base-Backbone interact. energy: -0.397
local terms energy: -154.156951
where:
bonds (distance) C4'-P energy: -25.364
bonds (distance) P-C4' energy: -27.886
flat angles C4'-P-C4' energy: -32.403
flat angles P-C4'-P energy: -22.097
tors. eta vs tors. theta energy: -46.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -466.917068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.917068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.917068 (E_RNA)
where:
Base-Base interactions energy: -342.181
where: short stacking energy: -144.101
Base-Backbone interact. energy: -0.109
local terms energy: -134.627359
where:
bonds (distance) C4'-P energy: -23.894
bonds (distance) P-C4' energy: -21.399
flat angles C4'-P-C4' energy: -30.391
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -41.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -461.992471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.992471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.992471 (E_RNA)
where:
Base-Base interactions energy: -330.192
where: short stacking energy: -128.748
Base-Backbone interact. energy: -0.433
local terms energy: -141.367586
where:
bonds (distance) C4'-P energy: -24.516
bonds (distance) P-C4' energy: -29.587
flat angles C4'-P-C4' energy: -28.972
flat angles P-C4'-P energy: -20.816
tors. eta vs tors. theta energy: -37.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -453.592874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.592874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.592874 (E_RNA)
where:
Base-Base interactions energy: -332.370
where: short stacking energy: -135.236
Base-Backbone interact. energy: -0.690
local terms energy: -130.532465
where:
bonds (distance) C4'-P energy: -26.544
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -25.120
flat angles P-C4'-P energy: -20.346
tors. eta vs tors. theta energy: -40.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -424.198507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.198507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.198507 (E_RNA)
where:
Base-Base interactions energy: -304.446
where: short stacking energy: -130.722
Base-Backbone interact. energy: 0.105
local terms energy: -129.857379
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -24.538
flat angles C4'-P-C4' energy: -26.717
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: -39.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -429.012366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.012366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.012366 (E_RNA)
where:
Base-Base interactions energy: -320.084
where: short stacking energy: -132.476
Base-Backbone interact. energy: -0.009
local terms energy: -118.918574
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -25.904
flat angles P-C4'-P energy: -20.995
tors. eta vs tors. theta energy: -39.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -141.069832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.069832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.069832 (E_RNA)
where:
Base-Base interactions energy: -58.233
where: short stacking energy: -58.233
Base-Backbone interact. energy: -0.343
local terms energy: -92.494242
where:
bonds (distance) C4'-P energy: -21.203
bonds (distance) P-C4' energy: -25.101
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -15.842
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -118.930624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.930624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.930624 (E_RNA)
where:
Base-Base interactions energy: -42.629
where: short stacking energy: -32.221
Base-Backbone interact. energy: 1.281
local terms energy: -87.582061
where:
bonds (distance) C4'-P energy: -21.268
bonds (distance) P-C4' energy: -27.618
flat angles C4'-P-C4' energy: -22.655
flat angles P-C4'-P energy: -15.228
tors. eta vs tors. theta energy: -0.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -503.576362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.576362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.576362 (E_RNA)
where:
Base-Base interactions energy: -361.462
where: short stacking energy: -149.665
Base-Backbone interact. energy: -0.929
local terms energy: -151.184695
where:
bonds (distance) C4'-P energy: -30.261
bonds (distance) P-C4' energy: -29.276
flat angles C4'-P-C4' energy: -29.664
flat angles P-C4'-P energy: -17.546
tors. eta vs tors. theta energy: -44.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -485.733567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.733567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.733567 (E_RNA)
where:
Base-Base interactions energy: -347.369
where: short stacking energy: -146.637
Base-Backbone interact. energy: -0.124
local terms energy: -148.240831
where:
bonds (distance) C4'-P energy: -26.631
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -32.937
flat angles P-C4'-P energy: -19.012
tors. eta vs tors. theta energy: -47.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -479.182383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.182383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.182383 (E_RNA)
where:
Base-Base interactions energy: -342.788
where: short stacking energy: -140.290
Base-Backbone interact. energy: -0.697
local terms energy: -145.696582
where:
bonds (distance) C4'-P energy: -27.369
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -27.486
flat angles P-C4'-P energy: -23.646
tors. eta vs tors. theta energy: -44.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -474.236750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.236750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.236750 (E_RNA)
where:
Base-Base interactions energy: -337.357
where: short stacking energy: -148.776
Base-Backbone interact. energy: -0.003
local terms energy: -146.876280
where:
bonds (distance) C4'-P energy: -21.971
bonds (distance) P-C4' energy: -26.114
flat angles C4'-P-C4' energy: -31.371
flat angles P-C4'-P energy: -24.020
tors. eta vs tors. theta energy: -43.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -446.698326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.698326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.698326 (E_RNA)
where:
Base-Base interactions energy: -322.539
where: short stacking energy: -134.407
Base-Backbone interact. energy: -0.668
local terms energy: -133.491699
where:
bonds (distance) C4'-P energy: -20.904
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -28.457
flat angles P-C4'-P energy: -21.239
tors. eta vs tors. theta energy: -40.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -473.559573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.559573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.559573 (E_RNA)
where:
Base-Base interactions energy: -341.153
where: short stacking energy: -149.061
Base-Backbone interact. energy: -0.076
local terms energy: -142.331026
where:
bonds (distance) C4'-P energy: -24.265
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -30.049
flat angles P-C4'-P energy: -24.543
tors. eta vs tors. theta energy: -42.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -425.959351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.959351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.959351 (E_RNA)
where:
Base-Base interactions energy: -308.033
where: short stacking energy: -136.448
Base-Backbone interact. energy: -0.042
local terms energy: -127.884369
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -28.263
flat angles C4'-P-C4' energy: -24.748
flat angles P-C4'-P energy: -17.829
tors. eta vs tors. theta energy: -41.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -454.949899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.949899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.949899 (E_RNA)
where:
Base-Base interactions energy: -330.581
where: short stacking energy: -139.388
Base-Backbone interact. energy: -0.143
local terms energy: -134.226227
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -23.225
flat angles C4'-P-C4' energy: -26.341
flat angles P-C4'-P energy: -23.588
tors. eta vs tors. theta energy: -38.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -119.850600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.850600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.850600 (E_RNA)
where:
Base-Base interactions energy: -47.462
where: short stacking energy: -42.743
Base-Backbone interact. energy: -0.364
local terms energy: -82.024300
where:
bonds (distance) C4'-P energy: -16.869
bonds (distance) P-C4' energy: -24.870
flat angles C4'-P-C4' energy: -28.057
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: 0.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -112.033466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.033466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.033466 (E_RNA)
where:
Base-Base interactions energy: -49.765
where: short stacking energy: -49.765
Base-Backbone interact. energy: 0.661
local terms energy: -72.928662
where:
bonds (distance) C4'-P energy: -24.164
bonds (distance) P-C4' energy: -21.921
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -8.813
tors. eta vs tors. theta energy: -0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -497.400221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.400221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.400221 (E_RNA)
where:
Base-Base interactions energy: -354.884
where: short stacking energy: -144.626
Base-Backbone interact. energy: -0.283
local terms energy: -152.233999
where:
bonds (distance) C4'-P energy: -30.783
bonds (distance) P-C4' energy: -27.381
flat angles C4'-P-C4' energy: -29.242
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -41.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -491.964315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.964315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.964315 (E_RNA)
where:
Base-Base interactions energy: -354.419
where: short stacking energy: -151.209
Base-Backbone interact. energy: -0.099
local terms energy: -147.445855
where:
bonds (distance) C4'-P energy: -21.218
bonds (distance) P-C4' energy: -27.742
flat angles C4'-P-C4' energy: -30.628
flat angles P-C4'-P energy: -20.631
tors. eta vs tors. theta energy: -47.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -479.270435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.270435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.270435 (E_RNA)
where:
Base-Base interactions energy: -342.645
where: short stacking energy: -145.029
Base-Backbone interact. energy: -0.158
local terms energy: -146.467470
where:
bonds (distance) C4'-P energy: -30.424
bonds (distance) P-C4' energy: -22.157
flat angles C4'-P-C4' energy: -27.320
flat angles P-C4'-P energy: -22.630
tors. eta vs tors. theta energy: -43.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -475.479611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.479611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.479611 (E_RNA)
where:
Base-Base interactions energy: -336.589
where: short stacking energy: -140.183
Base-Backbone interact. energy: -0.381
local terms energy: -148.510047
where:
bonds (distance) C4'-P energy: -23.728
bonds (distance) P-C4' energy: -29.517
flat angles C4'-P-C4' energy: -30.582
flat angles P-C4'-P energy: -22.717
tors. eta vs tors. theta energy: -41.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -461.436904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.436904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.436904 (E_RNA)
where:
Base-Base interactions energy: -335.749
where: short stacking energy: -146.354
Base-Backbone interact. energy: 0.949
local terms energy: -136.636327
where:
bonds (distance) C4'-P energy: -21.263
bonds (distance) P-C4' energy: -26.375
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -42.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -437.622164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.622164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.622164 (E_RNA)
where:
Base-Base interactions energy: -318.706
where: short stacking energy: -124.446
Base-Backbone interact. energy: -0.312
local terms energy: -128.603561
where:
bonds (distance) C4'-P energy: -26.032
bonds (distance) P-C4' energy: -23.514
flat angles C4'-P-C4' energy: -24.898
flat angles P-C4'-P energy: -20.406
tors. eta vs tors. theta energy: -33.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -431.174584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.174584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.174584 (E_RNA)
where:
Base-Base interactions energy: -297.129
where: short stacking energy: -129.199
Base-Backbone interact. energy: -0.234
local terms energy: -143.811783
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -26.908
flat angles C4'-P-C4' energy: -29.362
flat angles P-C4'-P energy: -23.697
tors. eta vs tors. theta energy: -39.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -436.226606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.226606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.226606 (E_RNA)
where:
Base-Base interactions energy: -313.341
where: short stacking energy: -131.206
Base-Backbone interact. energy: -0.502
local terms energy: -132.383432
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -22.938
flat angles C4'-P-C4' energy: -30.726
flat angles P-C4'-P energy: -19.690
tors. eta vs tors. theta energy: -45.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -141.877064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.877064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.877064 (E_RNA)
where:
Base-Base interactions energy: -62.375
where: short stacking energy: -36.714
Base-Backbone interact. energy: -0.559
local terms energy: -88.942954
where:
bonds (distance) C4'-P energy: -28.299
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -25.220
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -122.439614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.439614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.439614 (E_RNA)
where:
Base-Base interactions energy: -59.845
where: short stacking energy: -51.758
Base-Backbone interact. energy: -0.873
local terms energy: -71.721661
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -26.364
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: 3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -499.801592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.801592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.801592 (E_RNA)
where:
Base-Base interactions energy: -349.444
where: short stacking energy: -152.837
Base-Backbone interact. energy: -0.002
local terms energy: -160.355485
where:
bonds (distance) C4'-P energy: -29.789
bonds (distance) P-C4' energy: -29.041
flat angles C4'-P-C4' energy: -31.730
flat angles P-C4'-P energy: -22.165
tors. eta vs tors. theta energy: -47.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -489.950719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.950719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.950719 (E_RNA)
where:
Base-Base interactions energy: -347.099
where: short stacking energy: -151.202
Base-Backbone interact. energy: -0.018
local terms energy: -152.834437
where:
bonds (distance) C4'-P energy: -24.699
bonds (distance) P-C4' energy: -26.568
flat angles C4'-P-C4' energy: -30.512
flat angles P-C4'-P energy: -25.026
tors. eta vs tors. theta energy: -46.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -482.722920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.722920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.722920 (E_RNA)
where:
Base-Base interactions energy: -350.244
where: short stacking energy: -135.919
Base-Backbone interact. energy: -0.422
local terms energy: -142.056833
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -23.756
flat angles C4'-P-C4' energy: -32.430
flat angles P-C4'-P energy: -23.958
tors. eta vs tors. theta energy: -37.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -479.837342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.837342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.837342 (E_RNA)
where:
Base-Base interactions energy: -347.691
where: short stacking energy: -148.675
Base-Backbone interact. energy: 0.916
local terms energy: -143.062430
where:
bonds (distance) C4'-P energy: -19.489
bonds (distance) P-C4' energy: -29.057
flat angles C4'-P-C4' energy: -31.764
flat angles P-C4'-P energy: -21.555
tors. eta vs tors. theta energy: -41.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -440.235646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.235646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.235646 (E_RNA)
where:
Base-Base interactions energy: -317.197
where: short stacking energy: -133.203
Base-Backbone interact. energy: 0.044
local terms energy: -133.082339
where:
bonds (distance) C4'-P energy: -23.818
bonds (distance) P-C4' energy: -23.656
flat angles C4'-P-C4' energy: -28.756
flat angles P-C4'-P energy: -16.586
tors. eta vs tors. theta energy: -40.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -448.877047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.877047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.877047 (E_RNA)
where:
Base-Base interactions energy: -317.578
where: short stacking energy: -133.636
Base-Backbone interact. energy: -0.654
local terms energy: -140.644319
where:
bonds (distance) C4'-P energy: -27.882
bonds (distance) P-C4' energy: -26.332
flat angles C4'-P-C4' energy: -23.948
flat angles P-C4'-P energy: -18.155
tors. eta vs tors. theta energy: -44.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -447.579584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.579584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.579584 (E_RNA)
where:
Base-Base interactions energy: -322.687
where: short stacking energy: -135.662
Base-Backbone interact. energy: -0.046
local terms energy: -134.846907
where:
bonds (distance) C4'-P energy: -26.945
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -27.561
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -44.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -435.827908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.827908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.827908 (E_RNA)
where:
Base-Base interactions energy: -315.552
where: short stacking energy: -131.370
Base-Backbone interact. energy: 0.345
local terms energy: -130.620588
where:
bonds (distance) C4'-P energy: -24.853
bonds (distance) P-C4' energy: -21.757
flat angles C4'-P-C4' energy: -28.548
flat angles P-C4'-P energy: -18.978
tors. eta vs tors. theta energy: -36.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -150.377771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.377771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.377771 (E_RNA)
where:
Base-Base interactions energy: -76.030
where: short stacking energy: -44.062
Base-Backbone interact. energy: -0.072
local terms energy: -84.276376
where:
bonds (distance) C4'-P energy: -20.240
bonds (distance) P-C4' energy: -23.393
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -16.991
tors. eta vs tors. theta energy: -2.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -119.347806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.347806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.347806 (E_RNA)
where:
Base-Base interactions energy: -46.543
where: short stacking energy: -20.870
Base-Backbone interact. energy: -0.481
local terms energy: -82.323923
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -28.431
flat angles C4'-P-C4' energy: -23.599
flat angles P-C4'-P energy: -19.619
tors. eta vs tors. theta energy: 4.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -497.310313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.310313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.310313 (E_RNA)
where:
Base-Base interactions energy: -362.341
where: short stacking energy: -153.131
Base-Backbone interact. energy: -0.054
local terms energy: -144.915362
where:
bonds (distance) C4'-P energy: -24.921
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -26.726
flat angles P-C4'-P energy: -16.781
tors. eta vs tors. theta energy: -47.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -487.979312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.979312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.979312 (E_RNA)
where:
Base-Base interactions energy: -356.667
where: short stacking energy: -147.515
Base-Backbone interact. energy: -0.149
local terms energy: -141.163974
where:
bonds (distance) C4'-P energy: -22.355
bonds (distance) P-C4' energy: -24.382
flat angles C4'-P-C4' energy: -31.977
flat angles P-C4'-P energy: -18.264
tors. eta vs tors. theta energy: -44.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -489.233009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.233009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.233009 (E_RNA)
where:
Base-Base interactions energy: -348.786
where: short stacking energy: -153.395
Base-Backbone interact. energy: 0.428
local terms energy: -150.874696
where:
bonds (distance) C4'-P energy: -24.769
bonds (distance) P-C4' energy: -25.635
flat angles C4'-P-C4' energy: -32.454
flat angles P-C4'-P energy: -23.528
tors. eta vs tors. theta energy: -44.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -474.606386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.606386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.606386 (E_RNA)
where:
Base-Base interactions energy: -340.444
where: short stacking energy: -133.659
Base-Backbone interact. energy: -0.452
local terms energy: -143.710576
where:
bonds (distance) C4'-P energy: -20.748
bonds (distance) P-C4' energy: -28.996
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -17.910
tors. eta vs tors. theta energy: -44.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -465.585583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.585583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.585583 (E_RNA)
where:
Base-Base interactions energy: -332.163
where: short stacking energy: -132.533
Base-Backbone interact. energy: -0.067
local terms energy: -143.355680
where:
bonds (distance) C4'-P energy: -25.662
bonds (distance) P-C4' energy: -26.900
flat angles C4'-P-C4' energy: -30.752
flat angles P-C4'-P energy: -17.858
tors. eta vs tors. theta energy: -42.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -450.246070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.246070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.246070 (E_RNA)
where:
Base-Base interactions energy: -319.201
where: short stacking energy: -132.815
Base-Backbone interact. energy: 0.163
local terms energy: -141.208806
where:
bonds (distance) C4'-P energy: -29.359
bonds (distance) P-C4' energy: -28.380
flat angles C4'-P-C4' energy: -26.241
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: -39.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -425.788374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.788374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.788374 (E_RNA)
where:
Base-Base interactions energy: -294.079
where: short stacking energy: -124.322
Base-Backbone interact. energy: 1.898
local terms energy: -143.606524
where:
bonds (distance) C4'-P energy: -29.132
bonds (distance) P-C4' energy: -25.456
flat angles C4'-P-C4' energy: -29.994
flat angles P-C4'-P energy: -20.809
tors. eta vs tors. theta energy: -38.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -451.381894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.381894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.381894 (E_RNA)
where:
Base-Base interactions energy: -320.990
where: short stacking energy: -131.848
Base-Backbone interact. energy: 0.226
local terms energy: -140.617983
where:
bonds (distance) C4'-P energy: -27.483
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -28.547
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -44.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -166.603374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.603374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.603374 (E_RNA)
where:
Base-Base interactions energy: -79.727
where: short stacking energy: -38.010
Base-Backbone interact. energy: 0.807
local terms energy: -97.683330
where:
bonds (distance) C4'-P energy: -21.404
bonds (distance) P-C4' energy: -25.343
flat angles C4'-P-C4' energy: -25.244
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -7.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -124.878075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.878075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.878075 (E_RNA)
where:
Base-Base interactions energy: -60.277
where: short stacking energy: -35.515
Base-Backbone interact. energy: -0.064
local terms energy: -74.536787
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -26.172
flat angles C4'-P-C4' energy: -24.735
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: 6.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -489.243794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.243794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.243794 (E_RNA)
where:
Base-Base interactions energy: -354.383
where: short stacking energy: -151.425
Base-Backbone interact. energy: -0.326
local terms energy: -144.534853
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -24.851
flat angles C4'-P-C4' energy: -28.627
flat angles P-C4'-P energy: -23.232
tors. eta vs tors. theta energy: -43.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -487.054202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.054202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.054202 (E_RNA)
where:
Base-Base interactions energy: -348.849
where: short stacking energy: -147.525
Base-Backbone interact. energy: -0.292
local terms energy: -147.913983
where:
bonds (distance) C4'-P energy: -24.343
bonds (distance) P-C4' energy: -29.124
flat angles C4'-P-C4' energy: -28.934
flat angles P-C4'-P energy: -22.020
tors. eta vs tors. theta energy: -43.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -481.430230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.430230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.430230 (E_RNA)
where:
Base-Base interactions energy: -349.453
where: short stacking energy: -142.408
Base-Backbone interact. energy: -0.049
local terms energy: -141.928179
where:
bonds (distance) C4'-P energy: -28.345
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -29.772
flat angles P-C4'-P energy: -17.866
tors. eta vs tors. theta energy: -45.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -475.651707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.651707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.651707 (E_RNA)
where:
Base-Base interactions energy: -334.910
where: short stacking energy: -139.271
Base-Backbone interact. energy: -1.090
local terms energy: -149.652335
where:
bonds (distance) C4'-P energy: -31.453
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -30.569
flat angles P-C4'-P energy: -24.193
tors. eta vs tors. theta energy: -43.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -471.034801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.034801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.034801 (E_RNA)
where:
Base-Base interactions energy: -337.339
where: short stacking energy: -144.180
Base-Backbone interact. energy: -0.523
local terms energy: -143.172438
where:
bonds (distance) C4'-P energy: -24.586
bonds (distance) P-C4' energy: -25.263
flat angles C4'-P-C4' energy: -31.498
flat angles P-C4'-P energy: -19.838
tors. eta vs tors. theta energy: -41.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -438.076731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.076731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.076731 (E_RNA)
where:
Base-Base interactions energy: -334.287
where: short stacking energy: -133.711
Base-Backbone interact. energy: -0.747
local terms energy: -113.042650
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -27.289
flat angles P-C4'-P energy: -15.705
tors. eta vs tors. theta energy: -41.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -453.222025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.222025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.222025 (E_RNA)
where:
Base-Base interactions energy: -320.114
where: short stacking energy: -135.725
Base-Backbone interact. energy: -0.347
local terms energy: -142.760745
where:
bonds (distance) C4'-P energy: -24.106
bonds (distance) P-C4' energy: -29.407
flat angles C4'-P-C4' energy: -28.128
flat angles P-C4'-P energy: -20.395
tors. eta vs tors. theta energy: -40.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -434.713234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.713234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.713234 (E_RNA)
where:
Base-Base interactions energy: -309.667
where: short stacking energy: -138.560
Base-Backbone interact. energy: -0.323
local terms energy: -134.722925
where:
bonds (distance) C4'-P energy: -27.592
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -29.891
flat angles P-C4'-P energy: -17.827
tors. eta vs tors. theta energy: -41.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -165.701715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.701715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.701715 (E_RNA)
where:
Base-Base interactions energy: -101.284
where: short stacking energy: -54.297
Base-Backbone interact. energy: -0.329
local terms energy: -74.088853
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -28.381
flat angles C4'-P-C4' energy: -20.560
flat angles P-C4'-P energy: -8.579
tors. eta vs tors. theta energy: -2.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -153.409780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.409780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.409780 (E_RNA)
where:
Base-Base interactions energy: -78.146
where: short stacking energy: -53.316
Base-Backbone interact. energy: 0.279
local terms energy: -85.542221
where:
bonds (distance) C4'-P energy: -21.824
bonds (distance) P-C4' energy: -22.417
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -13.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -500.219505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.219505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.219505 (E_RNA)
where:
Base-Base interactions energy: -352.889
where: short stacking energy: -157.403
Base-Backbone interact. energy: -0.294
local terms energy: -157.036817
where:
bonds (distance) C4'-P energy: -24.127
bonds (distance) P-C4' energy: -29.855
flat angles C4'-P-C4' energy: -30.170
flat angles P-C4'-P energy: -24.802
tors. eta vs tors. theta energy: -48.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -490.319218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.319218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.319218 (E_RNA)
where:
Base-Base interactions energy: -349.218
where: short stacking energy: -148.746
Base-Backbone interact. energy: -0.198
local terms energy: -150.903067
where:
bonds (distance) C4'-P energy: -28.966
bonds (distance) P-C4' energy: -25.187
flat angles C4'-P-C4' energy: -29.672
flat angles P-C4'-P energy: -23.170
tors. eta vs tors. theta energy: -43.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -479.312209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.312209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.312209 (E_RNA)
where:
Base-Base interactions energy: -349.480
where: short stacking energy: -152.183
Base-Backbone interact. energy: -0.174
local terms energy: -139.657894
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -26.443
flat angles C4'-P-C4' energy: -26.298
flat angles P-C4'-P energy: -20.349
tors. eta vs tors. theta energy: -45.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -474.233151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.233151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.233151 (E_RNA)
where:
Base-Base interactions energy: -335.523
where: short stacking energy: -145.430
Base-Backbone interact. energy: -0.060
local terms energy: -148.650153
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -31.158
flat angles C4'-P-C4' energy: -29.536
flat angles P-C4'-P energy: -22.588
tors. eta vs tors. theta energy: -45.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -436.559187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.559187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.559187 (E_RNA)
where:
Base-Base interactions energy: -315.771
where: short stacking energy: -132.561
Base-Backbone interact. energy: -0.364
local terms energy: -130.423491
where:
bonds (distance) C4'-P energy: -24.250
bonds (distance) P-C4' energy: -23.648
flat angles C4'-P-C4' energy: -28.132
flat angles P-C4'-P energy: -19.750
tors. eta vs tors. theta energy: -34.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -440.180579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.180579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.180579 (E_RNA)
where:
Base-Base interactions energy: -320.241
where: short stacking energy: -127.326
Base-Backbone interact. energy: -0.190
local terms energy: -129.749605
where:
bonds (distance) C4'-P energy: -21.781
bonds (distance) P-C4' energy: -23.661
flat angles C4'-P-C4' energy: -29.687
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -37.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -433.585033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.585033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.585033 (E_RNA)
where:
Base-Base interactions energy: -319.709
where: short stacking energy: -127.095
Base-Backbone interact. energy: -0.076
local terms energy: -123.800091
where:
bonds (distance) C4'-P energy: -20.517
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -24.348
flat angles P-C4'-P energy: -16.158
tors. eta vs tors. theta energy: -35.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -429.013747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.013747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.013747 (E_RNA)
where:
Base-Base interactions energy: -309.195
where: short stacking energy: -128.295
Base-Backbone interact. energy: -0.455
local terms energy: -129.363731
where:
bonds (distance) C4'-P energy: -28.333
bonds (distance) P-C4' energy: -20.766
flat angles C4'-P-C4' energy: -24.548
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -37.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -136.318011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.318011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.318011 (E_RNA)
where:
Base-Base interactions energy: -63.448
where: short stacking energy: -44.783
Base-Backbone interact. energy: 4.058
local terms energy: -86.928008
where:
bonds (distance) C4'-P energy: -21.150
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -26.046
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -3.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -173.059858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.059858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.059858 (E_RNA)
where:
Base-Base interactions energy: -104.794
where: short stacking energy: -52.129
Base-Backbone interact. energy: 0.684
local terms energy: -78.950300
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -22.347
flat angles P-C4'-P energy: -19.757
tors. eta vs tors. theta energy: -3.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -491.814764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.814764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.814764 (E_RNA)
where:
Base-Base interactions energy: -351.222
where: short stacking energy: -140.455
Base-Backbone interact. energy: -0.421
local terms energy: -150.172371
where:
bonds (distance) C4'-P energy: -25.068
bonds (distance) P-C4' energy: -28.960
flat angles C4'-P-C4' energy: -31.133
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: -45.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -491.932676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.932676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.932676 (E_RNA)
where:
Base-Base interactions energy: -345.125
where: short stacking energy: -150.184
Base-Backbone interact. energy: -0.055
local terms energy: -156.752495
where:
bonds (distance) C4'-P energy: -25.707
bonds (distance) P-C4' energy: -30.383
flat angles C4'-P-C4' energy: -31.597
flat angles P-C4'-P energy: -23.656
tors. eta vs tors. theta energy: -45.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -487.158534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.158534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.158534 (E_RNA)
where:
Base-Base interactions energy: -341.723
where: short stacking energy: -140.696
Base-Backbone interact. energy: -0.056
local terms energy: -155.379485
where:
bonds (distance) C4'-P energy: -28.663
bonds (distance) P-C4' energy: -26.320
flat angles C4'-P-C4' energy: -32.486
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -45.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -465.391726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.391726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.391726 (E_RNA)
where:
Base-Base interactions energy: -337.537
where: short stacking energy: -142.198
Base-Backbone interact. energy: -0.526
local terms energy: -137.328698
where:
bonds (distance) C4'-P energy: -27.061
bonds (distance) P-C4' energy: -22.065
flat angles C4'-P-C4' energy: -29.406
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -40.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -456.851813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.851813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.851813 (E_RNA)
where:
Base-Base interactions energy: -333.211
where: short stacking energy: -142.078
Base-Backbone interact. energy: -0.014
local terms energy: -133.627353
where:
bonds (distance) C4'-P energy: -23.518
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -27.397
flat angles P-C4'-P energy: -24.184
tors. eta vs tors. theta energy: -39.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -447.943919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.943919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.943919 (E_RNA)
where:
Base-Base interactions energy: -315.337
where: short stacking energy: -137.006
Base-Backbone interact. energy: -0.280
local terms energy: -142.326489
where:
bonds (distance) C4'-P energy: -22.133
bonds (distance) P-C4' energy: -28.303
flat angles C4'-P-C4' energy: -30.435
flat angles P-C4'-P energy: -20.256
tors. eta vs tors. theta energy: -41.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -446.306870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.306870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.306870 (E_RNA)
where:
Base-Base interactions energy: -328.291
where: short stacking energy: -144.375
Base-Backbone interact. energy: -0.273
local terms energy: -127.742987
where:
bonds (distance) C4'-P energy: -26.075
bonds (distance) P-C4' energy: -22.898
flat angles C4'-P-C4' energy: -20.698
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -42.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -425.128413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.128413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.128413 (E_RNA)
where:
Base-Base interactions energy: -314.505
where: short stacking energy: -132.861
Base-Backbone interact. energy: -0.318
local terms energy: -120.305575
where:
bonds (distance) C4'-P energy: -20.818
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -23.800
flat angles P-C4'-P energy: -17.880
tors. eta vs tors. theta energy: -37.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -200.450219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.450219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.450219 (E_RNA)
where:
Base-Base interactions energy: -111.100
where: short stacking energy: -57.995
Base-Backbone interact. energy: -0.466
local terms energy: -98.883765
where:
bonds (distance) C4'-P energy: -29.119
bonds (distance) P-C4' energy: -19.617
flat angles C4'-P-C4' energy: -24.566
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -9.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -120.678959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.678959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.678959 (E_RNA)
where:
Base-Base interactions energy: -55.604
where: short stacking energy: -34.964
Base-Backbone interact. energy: -0.330
local terms energy: -74.744827
where:
bonds (distance) C4'-P energy: -20.496
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: 4.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -501.593452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.593452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.593452 (E_RNA)
where:
Base-Base interactions energy: -355.555
where: short stacking energy: -150.236
Base-Backbone interact. energy: -0.004
local terms energy: -156.034190
where:
bonds (distance) C4'-P energy: -28.130
bonds (distance) P-C4' energy: -25.463
flat angles C4'-P-C4' energy: -32.865
flat angles P-C4'-P energy: -23.161
tors. eta vs tors. theta energy: -46.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -489.599229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.599229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.599229 (E_RNA)
where:
Base-Base interactions energy: -354.448
where: short stacking energy: -151.606
Base-Backbone interact. energy: -0.774
local terms energy: -144.377904
where:
bonds (distance) C4'-P energy: -28.008
bonds (distance) P-C4' energy: -22.861
flat angles C4'-P-C4' energy: -28.204
flat angles P-C4'-P energy: -22.177
tors. eta vs tors. theta energy: -43.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -492.847351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.847351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.847351 (E_RNA)
where:
Base-Base interactions energy: -356.427
where: short stacking energy: -155.265
Base-Backbone interact. energy: -1.101
local terms energy: -145.319858
where:
bonds (distance) C4'-P energy: -26.940
bonds (distance) P-C4' energy: -25.138
flat angles C4'-P-C4' energy: -31.745
flat angles P-C4'-P energy: -19.972
tors. eta vs tors. theta energy: -41.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -464.655783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.655783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.655783 (E_RNA)
where:
Base-Base interactions energy: -328.169
where: short stacking energy: -134.688
Base-Backbone interact. energy: -0.083
local terms energy: -146.404389
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -25.706
flat angles C4'-P-C4' energy: -29.699
flat angles P-C4'-P energy: -22.462
tors. eta vs tors. theta energy: -43.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -452.846504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.846504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.846504 (E_RNA)
where:
Base-Base interactions energy: -322.414
where: short stacking energy: -138.243
Base-Backbone interact. energy: -0.603
local terms energy: -139.828909
where:
bonds (distance) C4'-P energy: -21.735
bonds (distance) P-C4' energy: -21.946
flat angles C4'-P-C4' energy: -30.715
flat angles P-C4'-P energy: -24.677
tors. eta vs tors. theta energy: -40.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -454.286990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.286990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.286990 (E_RNA)
where:
Base-Base interactions energy: -323.657
where: short stacking energy: -135.569
Base-Backbone interact. energy: -0.056
local terms energy: -140.573713
where:
bonds (distance) C4'-P energy: -22.707
bonds (distance) P-C4' energy: -23.743
flat angles C4'-P-C4' energy: -31.767
flat angles P-C4'-P energy: -22.702
tors. eta vs tors. theta energy: -39.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -444.851630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.851630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.851630 (E_RNA)
where:
Base-Base interactions energy: -323.305
where: short stacking energy: -130.911
Base-Backbone interact. energy: 1.718
local terms energy: -133.265422
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -26.042
flat angles C4'-P-C4' energy: -22.243
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -39.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -438.980025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.980025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.980025 (E_RNA)
where:
Base-Base interactions energy: -320.321
where: short stacking energy: -136.360
Base-Backbone interact. energy: -0.512
local terms energy: -128.146841
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -31.705
flat angles P-C4'-P energy: -19.494
tors. eta vs tors. theta energy: -40.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -206.596567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.596567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.596567 (E_RNA)
where:
Base-Base interactions energy: -124.041
where: short stacking energy: -60.586
Base-Backbone interact. energy: -0.249
local terms energy: -92.306825
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -28.883
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -10.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -206.939482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.939482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.939482 (E_RNA)
where:
Base-Base interactions energy: -130.640
where: short stacking energy: -55.635
Base-Backbone interact. energy: -0.586
local terms energy: -85.713464
where:
bonds (distance) C4'-P energy: -23.853
bonds (distance) P-C4' energy: -22.649
flat angles C4'-P-C4' energy: -23.199
flat angles P-C4'-P energy: -8.792
tors. eta vs tors. theta energy: -7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -501.047812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.047812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.047812 (E_RNA)
where:
Base-Base interactions energy: -349.488
where: short stacking energy: -145.211
Base-Backbone interact. energy: -0.198
local terms energy: -161.362439
where:
bonds (distance) C4'-P energy: -27.484
bonds (distance) P-C4' energy: -28.325
flat angles C4'-P-C4' energy: -34.754
flat angles P-C4'-P energy: -24.286
tors. eta vs tors. theta energy: -46.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -488.228058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.228058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.228058 (E_RNA)
where:
Base-Base interactions energy: -352.536
where: short stacking energy: -142.665
Base-Backbone interact. energy: -0.002
local terms energy: -145.689905
where:
bonds (distance) C4'-P energy: -24.166
bonds (distance) P-C4' energy: -25.970
flat angles C4'-P-C4' energy: -31.422
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -43.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -480.442020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.442020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.442020 (E_RNA)
where:
Base-Base interactions energy: -345.990
where: short stacking energy: -139.129
Base-Backbone interact. energy: -0.109
local terms energy: -144.343315
where:
bonds (distance) C4'-P energy: -24.794
bonds (distance) P-C4' energy: -26.097
flat angles C4'-P-C4' energy: -29.041
flat angles P-C4'-P energy: -21.692
tors. eta vs tors. theta energy: -42.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -480.518830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.518830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.518830 (E_RNA)
where:
Base-Base interactions energy: -347.971
where: short stacking energy: -145.736
Base-Backbone interact. energy: -0.289
local terms energy: -142.259061
where:
bonds (distance) C4'-P energy: -23.621
bonds (distance) P-C4' energy: -27.687
flat angles C4'-P-C4' energy: -27.922
flat angles P-C4'-P energy: -20.327
tors. eta vs tors. theta energy: -42.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -463.690531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.690531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.690531 (E_RNA)
where:
Base-Base interactions energy: -328.241
where: short stacking energy: -143.061
Base-Backbone interact. energy: -0.020
local terms energy: -145.430482
where:
bonds (distance) C4'-P energy: -27.160
bonds (distance) P-C4' energy: -29.284
flat angles C4'-P-C4' energy: -29.708
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -40.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -447.092352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.092352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.092352 (E_RNA)
where:
Base-Base interactions energy: -306.446
where: short stacking energy: -120.138
Base-Backbone interact. energy: -0.209
local terms energy: -150.437378
where:
bonds (distance) C4'-P energy: -29.558
bonds (distance) P-C4' energy: -29.921
flat angles C4'-P-C4' energy: -27.318
flat angles P-C4'-P energy: -23.540
tors. eta vs tors. theta energy: -40.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -449.544155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.544155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.544155 (E_RNA)
where:
Base-Base interactions energy: -330.490
where: short stacking energy: -134.843
Base-Backbone interact. energy: 2.007
local terms energy: -131.060858
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -24.046
flat angles C4'-P-C4' energy: -31.791
flat angles P-C4'-P energy: -15.106
tors. eta vs tors. theta energy: -41.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -411.140984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.140984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.140984 (E_RNA)
where:
Base-Base interactions energy: -293.361
where: short stacking energy: -122.595
Base-Backbone interact. energy: -0.182
local terms energy: -127.597943
where:
bonds (distance) C4'-P energy: -29.412
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -22.441
flat angles P-C4'-P energy: -20.671
tors. eta vs tors. theta energy: -33.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -252.232544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.232544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.232544 (E_RNA)
where:
Base-Base interactions energy: -176.228
where: short stacking energy: -82.983
Base-Backbone interact. energy: 0.808
local terms energy: -86.813068
where:
bonds (distance) C4'-P energy: -20.916
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -1.952
tors. eta vs tors. theta energy: -14.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -193.587401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.587401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.587401 (E_RNA)
where:
Base-Base interactions energy: -107.034
where: short stacking energy: -53.791
Base-Backbone interact. energy: -0.351
local terms energy: -96.201789
where:
bonds (distance) C4'-P energy: -22.162
bonds (distance) P-C4' energy: -27.210
flat angles C4'-P-C4' energy: -23.133
flat angles P-C4'-P energy: -13.898
tors. eta vs tors. theta energy: -9.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -494.851788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.851788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.851788 (E_RNA)
where:
Base-Base interactions energy: -357.466
where: short stacking energy: -154.879
Base-Backbone interact. energy: -0.534
local terms energy: -146.851867
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -28.260
flat angles C4'-P-C4' energy: -33.561
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -44.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -492.170374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.170374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.170374 (E_RNA)
where:
Base-Base interactions energy: -345.790
where: short stacking energy: -145.289
Base-Backbone interact. energy: -0.583
local terms energy: -155.797987
where:
bonds (distance) C4'-P energy: -27.100
bonds (distance) P-C4' energy: -26.116
flat angles C4'-P-C4' energy: -34.902
flat angles P-C4'-P energy: -22.271
tors. eta vs tors. theta energy: -45.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -478.394012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.394012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.394012 (E_RNA)
where:
Base-Base interactions energy: -333.299
where: short stacking energy: -139.726
Base-Backbone interact. energy: -0.046
local terms energy: -155.048877
where:
bonds (distance) C4'-P energy: -29.545
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -30.487
flat angles P-C4'-P energy: -21.955
tors. eta vs tors. theta energy: -47.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -478.382795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.382795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.382795 (E_RNA)
where:
Base-Base interactions energy: -346.476
where: short stacking energy: -149.653
Base-Backbone interact. energy: -0.504
local terms energy: -141.402172
where:
bonds (distance) C4'-P energy: -22.336
bonds (distance) P-C4' energy: -24.176
flat angles C4'-P-C4' energy: -28.303
flat angles P-C4'-P energy: -21.331
tors. eta vs tors. theta energy: -45.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -463.002310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.002310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.002310 (E_RNA)
where:
Base-Base interactions energy: -336.046
where: short stacking energy: -134.535
Base-Backbone interact. energy: -0.090
local terms energy: -136.865843
where:
bonds (distance) C4'-P energy: -22.242
bonds (distance) P-C4' energy: -20.633
flat angles C4'-P-C4' energy: -28.674
flat angles P-C4'-P energy: -22.598
tors. eta vs tors. theta energy: -42.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -459.519674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.519674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.519674 (E_RNA)
where:
Base-Base interactions energy: -326.263
where: short stacking energy: -133.990
Base-Backbone interact. energy: -0.255
local terms energy: -143.001823
where:
bonds (distance) C4'-P energy: -25.933
bonds (distance) P-C4' energy: -23.975
flat angles C4'-P-C4' energy: -28.908
flat angles P-C4'-P energy: -21.455
tors. eta vs tors. theta energy: -42.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -433.098797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.098797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.098797 (E_RNA)
where:
Base-Base interactions energy: -311.248
where: short stacking energy: -124.312
Base-Backbone interact. energy: -0.494
local terms energy: -131.356845
where:
bonds (distance) C4'-P energy: -23.604
bonds (distance) P-C4' energy: -21.454
flat angles C4'-P-C4' energy: -25.960
flat angles P-C4'-P energy: -19.913
tors. eta vs tors. theta energy: -40.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -441.863059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.863059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.863059 (E_RNA)
where:
Base-Base interactions energy: -310.070
where: short stacking energy: -132.523
Base-Backbone interact. energy: -0.080
local terms energy: -141.713744
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -26.280
flat angles C4'-P-C4' energy: -31.135
flat angles P-C4'-P energy: -20.961
tors. eta vs tors. theta energy: -40.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -224.257340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.257340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.257340 (E_RNA)
where:
Base-Base interactions energy: -141.635
where: short stacking energy: -67.021
Base-Backbone interact. energy: -0.614
local terms energy: -92.008040
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -25.616
flat angles C4'-P-C4' energy: -20.028
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -10.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -192.754298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.754298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.754298 (E_RNA)
where:
Base-Base interactions energy: -114.717
where: short stacking energy: -59.707
Base-Backbone interact. energy: -0.244
local terms energy: -87.793943
where:
bonds (distance) C4'-P energy: -21.530
bonds (distance) P-C4' energy: -26.522
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -15.203
tors. eta vs tors. theta energy: -9.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -498.477524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.477524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.477524 (E_RNA)
where:
Base-Base interactions energy: -349.841
where: short stacking energy: -155.150
Base-Backbone interact. energy: -0.589
local terms energy: -158.047420
where:
bonds (distance) C4'-P energy: -27.180
bonds (distance) P-C4' energy: -24.883
flat angles C4'-P-C4' energy: -33.498
flat angles P-C4'-P energy: -24.666
tors. eta vs tors. theta energy: -47.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -491.773233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.773233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.773233 (E_RNA)
where:
Base-Base interactions energy: -352.939
where: short stacking energy: -150.522
Base-Backbone interact. energy: -0.001
local terms energy: -148.833189
where:
bonds (distance) C4'-P energy: -27.523
bonds (distance) P-C4' energy: -21.658
flat angles C4'-P-C4' energy: -28.936
flat angles P-C4'-P energy: -25.709
tors. eta vs tors. theta energy: -45.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -477.930879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.930879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.930879 (E_RNA)
where:
Base-Base interactions energy: -348.504
where: short stacking energy: -139.710
Base-Backbone interact. energy: -0.070
local terms energy: -139.356641
where:
bonds (distance) C4'-P energy: -23.094
bonds (distance) P-C4' energy: -25.647
flat angles C4'-P-C4' energy: -24.044
flat angles P-C4'-P energy: -19.463
tors. eta vs tors. theta energy: -47.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -470.932910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.932910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.932910 (E_RNA)
where:
Base-Base interactions energy: -332.840
where: short stacking energy: -149.173
Base-Backbone interact. energy: -0.093
local terms energy: -147.999632
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -22.599
flat angles C4'-P-C4' energy: -31.682
flat angles P-C4'-P energy: -25.274
tors. eta vs tors. theta energy: -46.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -459.667111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.667111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.667111 (E_RNA)
where:
Base-Base interactions energy: -334.959
where: short stacking energy: -126.424
Base-Backbone interact. energy: -0.703
local terms energy: -134.005005
where:
bonds (distance) C4'-P energy: -24.238
bonds (distance) P-C4' energy: -23.568
flat angles C4'-P-C4' energy: -28.932
flat angles P-C4'-P energy: -15.684
tors. eta vs tors. theta energy: -41.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -457.241884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.241884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.241884 (E_RNA)
where:
Base-Base interactions energy: -326.383
where: short stacking energy: -137.586
Base-Backbone interact. energy: -0.216
local terms energy: -140.643065
where:
bonds (distance) C4'-P energy: -21.619
bonds (distance) P-C4' energy: -29.454
flat angles C4'-P-C4' energy: -28.124
flat angles P-C4'-P energy: -17.561
tors. eta vs tors. theta energy: -43.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -447.342890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.342890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.342890 (E_RNA)
where:
Base-Base interactions energy: -316.918
where: short stacking energy: -132.428
Base-Backbone interact. energy: -0.861
local terms energy: -139.564215
where:
bonds (distance) C4'-P energy: -25.901
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -28.702
flat angles P-C4'-P energy: -21.908
tors. eta vs tors. theta energy: -45.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -436.705117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.705117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.705117 (E_RNA)
where:
Base-Base interactions energy: -311.857
where: short stacking energy: -128.229
Base-Backbone interact. energy: -0.599
local terms energy: -134.248835
where:
bonds (distance) C4'-P energy: -21.490
bonds (distance) P-C4' energy: -24.139
flat angles C4'-P-C4' energy: -28.754
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -43.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -243.852925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.852925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.852925 (E_RNA)
where:
Base-Base interactions energy: -155.940
where: short stacking energy: -72.256
Base-Backbone interact. energy: 0.371
local terms energy: -98.283869
where:
bonds (distance) C4'-P energy: -20.855
bonds (distance) P-C4' energy: -26.256
flat angles C4'-P-C4' energy: -25.929
flat angles P-C4'-P energy: -17.423
tors. eta vs tors. theta energy: -7.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -230.047231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.047231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.047231 (E_RNA)
where:
Base-Base interactions energy: -155.653
where: short stacking energy: -78.039
Base-Backbone interact. energy: 1.895
local terms energy: -86.288882
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -26.459
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -12.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -498.106882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.106882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.106882 (E_RNA)
where:
Base-Base interactions energy: -353.023
where: short stacking energy: -149.185
Base-Backbone interact. energy: -0.001
local terms energy: -155.082398
where:
bonds (distance) C4'-P energy: -25.571
bonds (distance) P-C4' energy: -29.723
flat angles C4'-P-C4' energy: -28.214
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -48.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -490.034260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.034260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.034260 (E_RNA)
where:
Base-Base interactions energy: -349.735
where: short stacking energy: -150.060
Base-Backbone interact. energy: 0.640
local terms energy: -150.938458
where:
bonds (distance) C4'-P energy: -25.260
bonds (distance) P-C4' energy: -29.708
flat angles C4'-P-C4' energy: -29.939
flat angles P-C4'-P energy: -20.311
tors. eta vs tors. theta energy: -45.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -473.886824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.886824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.886824 (E_RNA)
where:
Base-Base interactions energy: -341.622
where: short stacking energy: -149.204
Base-Backbone interact. energy: -0.302
local terms energy: -141.963394
where:
bonds (distance) C4'-P energy: -26.241
bonds (distance) P-C4' energy: -25.438
flat angles C4'-P-C4' energy: -31.687
flat angles P-C4'-P energy: -19.828
tors. eta vs tors. theta energy: -38.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -472.593820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.593820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.593820 (E_RNA)
where:
Base-Base interactions energy: -344.677
where: short stacking energy: -138.069
Base-Backbone interact. energy: -0.489
local terms energy: -137.427903
where:
bonds (distance) C4'-P energy: -28.905
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -29.770
flat angles P-C4'-P energy: -17.973
tors. eta vs tors. theta energy: -45.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -453.904109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.904109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.904109 (E_RNA)
where:
Base-Base interactions energy: -327.481
where: short stacking energy: -138.656
Base-Backbone interact. energy: -0.426
local terms energy: -135.996904
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -24.601
flat angles C4'-P-C4' energy: -31.728
flat angles P-C4'-P energy: -19.742
tors. eta vs tors. theta energy: -40.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -456.689084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.689084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.689084 (E_RNA)
where:
Base-Base interactions energy: -327.922
where: short stacking energy: -138.461
Base-Backbone interact. energy: -0.025
local terms energy: -138.742232
where:
bonds (distance) C4'-P energy: -24.755
bonds (distance) P-C4' energy: -22.938
flat angles C4'-P-C4' energy: -28.021
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: -44.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -458.728813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.728813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.728813 (E_RNA)
where:
Base-Base interactions energy: -327.380
where: short stacking energy: -143.220
Base-Backbone interact. energy: -0.016
local terms energy: -141.333300
where:
bonds (distance) C4'-P energy: -27.016
bonds (distance) P-C4' energy: -30.755
flat angles C4'-P-C4' energy: -24.088
flat angles P-C4'-P energy: -18.184
tors. eta vs tors. theta energy: -41.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -437.299666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.299666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.299666 (E_RNA)
where:
Base-Base interactions energy: -316.271
where: short stacking energy: -131.600
Base-Backbone interact. energy: -0.601
local terms energy: -130.427908
where:
bonds (distance) C4'-P energy: -23.409
bonds (distance) P-C4' energy: -20.161
flat angles C4'-P-C4' energy: -26.650
flat angles P-C4'-P energy: -17.267
tors. eta vs tors. theta energy: -42.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -255.453619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.453619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.453619 (E_RNA)
where:
Base-Base interactions energy: -166.438
where: short stacking energy: -80.883
Base-Backbone interact. energy: -0.496
local terms energy: -98.519637
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -24.001
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -17.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -249.726629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.726629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.726629 (E_RNA)
where:
Base-Base interactions energy: -161.726
where: short stacking energy: -94.643
Base-Backbone interact. energy: -0.346
local terms energy: -97.654181
where:
bonds (distance) C4'-P energy: -16.355
bonds (distance) P-C4' energy: -24.957
flat angles C4'-P-C4' energy: -24.353
flat angles P-C4'-P energy: -17.008
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -478.711123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.711123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.711123 (E_RNA)
where:
Base-Base interactions energy: -338.835
where: short stacking energy: -139.037
Base-Backbone interact. energy: -0.072
local terms energy: -149.803906
where:
bonds (distance) C4'-P energy: -30.919
bonds (distance) P-C4' energy: -28.837
flat angles C4'-P-C4' energy: -27.178
flat angles P-C4'-P energy: -17.772
tors. eta vs tors. theta energy: -45.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -481.906284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.906284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.906284 (E_RNA)
where:
Base-Base interactions energy: -348.869
where: short stacking energy: -147.544
Base-Backbone interact. energy: -1.475
local terms energy: -141.562964
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -28.376
flat angles C4'-P-C4' energy: -30.770
flat angles P-C4'-P energy: -16.455
tors. eta vs tors. theta energy: -43.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -487.186873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.186873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.186873 (E_RNA)
where:
Base-Base interactions energy: -348.159
where: short stacking energy: -142.007
Base-Backbone interact. energy: -0.102
local terms energy: -148.925526
where:
bonds (distance) C4'-P energy: -26.846
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -30.934
flat angles P-C4'-P energy: -20.052
tors. eta vs tors. theta energy: -46.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -477.137551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.137551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.137551 (E_RNA)
where:
Base-Base interactions energy: -348.695
where: short stacking energy: -147.506
Base-Backbone interact. energy: -1.213
local terms energy: -137.229576
where:
bonds (distance) C4'-P energy: -24.259
bonds (distance) P-C4' energy: -22.096
flat angles C4'-P-C4' energy: -28.260
flat angles P-C4'-P energy: -19.744
tors. eta vs tors. theta energy: -42.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -473.528084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.528084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.528084 (E_RNA)
where:
Base-Base interactions energy: -337.680
where: short stacking energy: -139.809
Base-Backbone interact. energy: 0.110
local terms energy: -145.958597
where:
bonds (distance) C4'-P energy: -19.894
bonds (distance) P-C4' energy: -28.788
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -24.727
tors. eta vs tors. theta energy: -40.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -474.679182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.679182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.679182 (E_RNA)
where:
Base-Base interactions energy: -334.298
where: short stacking energy: -132.204
Base-Backbone interact. energy: -0.958
local terms energy: -149.422807
where:
bonds (distance) C4'-P energy: -22.592
bonds (distance) P-C4' energy: -28.460
flat angles C4'-P-C4' energy: -30.588
flat angles P-C4'-P energy: -24.187
tors. eta vs tors. theta energy: -43.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -467.736454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.736454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.736454 (E_RNA)
where:
Base-Base interactions energy: -330.054
where: short stacking energy: -146.163
Base-Backbone interact. energy: -0.003
local terms energy: -147.679684
where:
bonds (distance) C4'-P energy: -27.682
bonds (distance) P-C4' energy: -27.077
flat angles C4'-P-C4' energy: -28.865
flat angles P-C4'-P energy: -18.229
tors. eta vs tors. theta energy: -45.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -429.741504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.741504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.741504 (E_RNA)
where:
Base-Base interactions energy: -315.186
where: short stacking energy: -131.246
Base-Backbone interact. energy: -0.118
local terms energy: -124.437240
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -26.085
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: -41.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -225.185624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.185624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.185624 (E_RNA)
where:
Base-Base interactions energy: -138.134
where: short stacking energy: -63.421
Base-Backbone interact. energy: -0.503
local terms energy: -96.548188
where:
bonds (distance) C4'-P energy: -24.859
bonds (distance) P-C4' energy: -28.098
flat angles C4'-P-C4' energy: -21.774
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -5.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -231.891310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.891310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.891310 (E_RNA)
where:
Base-Base interactions energy: -145.767
where: short stacking energy: -68.621
Base-Backbone interact. energy: -0.292
local terms energy: -95.832176
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -23.630
flat angles C4'-P-C4' energy: -24.093
flat angles P-C4'-P energy: -17.603
tors. eta vs tors. theta energy: -11.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -485.412323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.412323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.412323 (E_RNA)
where:
Base-Base interactions energy: -340.521
where: short stacking energy: -151.461
Base-Backbone interact. energy: -0.104
local terms energy: -154.786620
where:
bonds (distance) C4'-P energy: -31.727
bonds (distance) P-C4' energy: -25.693
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -20.782
tors. eta vs tors. theta energy: -46.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -490.430584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.430584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.430584 (E_RNA)
where:
Base-Base interactions energy: -346.377
where: short stacking energy: -148.807
Base-Backbone interact. energy: -0.507
local terms energy: -153.547068
where:
bonds (distance) C4'-P energy: -26.333
bonds (distance) P-C4' energy: -31.339
flat angles C4'-P-C4' energy: -30.051
flat angles P-C4'-P energy: -20.820
tors. eta vs tors. theta energy: -45.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -498.118779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.118779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.118779 (E_RNA)
where:
Base-Base interactions energy: -351.135
where: short stacking energy: -153.255
Base-Backbone interact. energy: 0.075
local terms energy: -157.058924
where:
bonds (distance) C4'-P energy: -29.807
bonds (distance) P-C4' energy: -30.443
flat angles C4'-P-C4' energy: -32.726
flat angles P-C4'-P energy: -19.816
tors. eta vs tors. theta energy: -44.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -472.170668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.170668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.170668 (E_RNA)
where:
Base-Base interactions energy: -331.097
where: short stacking energy: -145.093
Base-Backbone interact. energy: -0.700
local terms energy: -150.374050
where:
bonds (distance) C4'-P energy: -23.661
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -31.465
flat angles P-C4'-P energy: -25.820
tors. eta vs tors. theta energy: -45.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -466.014593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.014593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.014593 (E_RNA)
where:
Base-Base interactions energy: -335.275
where: short stacking energy: -141.856
Base-Backbone interact. energy: -0.125
local terms energy: -140.614549
where:
bonds (distance) C4'-P energy: -21.326
bonds (distance) P-C4' energy: -24.641
flat angles C4'-P-C4' energy: -28.577
flat angles P-C4'-P energy: -23.504
tors. eta vs tors. theta energy: -42.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -461.611059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.611059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.611059 (E_RNA)
where:
Base-Base interactions energy: -325.108
where: short stacking energy: -141.351
Base-Backbone interact. energy: -0.139
local terms energy: -146.364274
where:
bonds (distance) C4'-P energy: -27.537
bonds (distance) P-C4' energy: -26.309
flat angles C4'-P-C4' energy: -29.098
flat angles P-C4'-P energy: -20.875
tors. eta vs tors. theta energy: -42.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -442.593564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.593564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.593564 (E_RNA)
where:
Base-Base interactions energy: -319.370
where: short stacking energy: -129.262
Base-Backbone interact. energy: -1.086
local terms energy: -132.137764
where:
bonds (distance) C4'-P energy: -25.421
bonds (distance) P-C4' energy: -26.098
flat angles C4'-P-C4' energy: -26.621
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -39.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -423.380656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.380656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.380656 (E_RNA)
where:
Base-Base interactions energy: -307.825
where: short stacking energy: -124.649
Base-Backbone interact. energy: -0.538
local terms energy: -125.017321
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -31.136
flat angles C4'-P-C4' energy: -24.172
flat angles P-C4'-P energy: -18.078
tors. eta vs tors. theta energy: -34.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -244.075679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.075679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.075679 (E_RNA)
where:
Base-Base interactions energy: -146.635
where: short stacking energy: -70.899
Base-Backbone interact. energy: -0.255
local terms energy: -107.185428
where:
bonds (distance) C4'-P energy: -26.934
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -23.939
flat angles P-C4'-P energy: -18.128
tors. eta vs tors. theta energy: -12.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -217.044005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.044005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.044005 (E_RNA)
where:
Base-Base interactions energy: -143.449
where: short stacking energy: -75.333
Base-Backbone interact. energy: 0.227
local terms energy: -83.822644
where:
bonds (distance) C4'-P energy: -23.390
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -13.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -503.870359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.870359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.870359 (E_RNA)
where:
Base-Base interactions energy: -357.581
where: short stacking energy: -155.274
Base-Backbone interact. energy: -0.589
local terms energy: -155.700354
where:
bonds (distance) C4'-P energy: -26.220
bonds (distance) P-C4' energy: -24.433
flat angles C4'-P-C4' energy: -33.425
flat angles P-C4'-P energy: -24.212
tors. eta vs tors. theta energy: -47.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -489.929937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.929937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.929937 (E_RNA)
where:
Base-Base interactions energy: -346.332
where: short stacking energy: -150.189
Base-Backbone interact. energy: -0.103
local terms energy: -153.494636
where:
bonds (distance) C4'-P energy: -28.655
bonds (distance) P-C4' energy: -23.847
flat angles C4'-P-C4' energy: -31.631
flat angles P-C4'-P energy: -22.587
tors. eta vs tors. theta energy: -46.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -485.427069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.427069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.427069 (E_RNA)
where:
Base-Base interactions energy: -347.704
where: short stacking energy: -146.506
Base-Backbone interact. energy: -0.002
local terms energy: -147.721994
where:
bonds (distance) C4'-P energy: -23.151
bonds (distance) P-C4' energy: -28.564
flat angles C4'-P-C4' energy: -29.948
flat angles P-C4'-P energy: -22.030
tors. eta vs tors. theta energy: -44.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -482.436812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.436812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.436812 (E_RNA)
where:
Base-Base interactions energy: -344.613
where: short stacking energy: -149.727
Base-Backbone interact. energy: -0.046
local terms energy: -147.777085
where:
bonds (distance) C4'-P energy: -24.911
bonds (distance) P-C4' energy: -28.091
flat angles C4'-P-C4' energy: -26.450
flat angles P-C4'-P energy: -22.171
tors. eta vs tors. theta energy: -46.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -463.811299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.811299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.811299 (E_RNA)
where:
Base-Base interactions energy: -335.019
where: short stacking energy: -134.030
Base-Backbone interact. energy: -0.478
local terms energy: -138.314194
where:
bonds (distance) C4'-P energy: -26.502
bonds (distance) P-C4' energy: -27.299
flat angles C4'-P-C4' energy: -25.148
flat angles P-C4'-P energy: -16.725
tors. eta vs tors. theta energy: -42.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -456.976912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.976912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.976912 (E_RNA)
where:
Base-Base interactions energy: -328.057
where: short stacking energy: -143.808
Base-Backbone interact. energy: -0.140
local terms energy: -138.780597
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -20.001
flat angles C4'-P-C4' energy: -29.859
flat angles P-C4'-P energy: -21.052
tors. eta vs tors. theta energy: -44.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -434.619252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.619252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.619252 (E_RNA)
where:
Base-Base interactions energy: -310.943
where: short stacking energy: -131.204
Base-Backbone interact. energy: -0.213
local terms energy: -133.463987
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -25.895
flat angles C4'-P-C4' energy: -28.378
flat angles P-C4'-P energy: -18.840
tors. eta vs tors. theta energy: -37.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -418.156555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.156555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.156555 (E_RNA)
where:
Base-Base interactions energy: -297.185
where: short stacking energy: -124.451
Base-Backbone interact. energy: -0.320
local terms energy: -130.650821
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -24.971
flat angles C4'-P-C4' energy: -30.760
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -37.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -248.520126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.520126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.520126 (E_RNA)
where:
Base-Base interactions energy: -155.724
where: short stacking energy: -66.071
Base-Backbone interact. energy: -0.233
local terms energy: -102.563273
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -21.296
flat angles C4'-P-C4' energy: -27.614
flat angles P-C4'-P energy: -19.337
tors. eta vs tors. theta energy: -14.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -222.041384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.041384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.041384 (E_RNA)
where:
Base-Base interactions energy: -137.395
where: short stacking energy: -65.848
Base-Backbone interact. energy: -0.163
local terms energy: -94.484046
where:
bonds (distance) C4'-P energy: -26.731
bonds (distance) P-C4' energy: -29.002
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -10.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -494.991767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.991767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.991767 (E_RNA)
where:
Base-Base interactions energy: -344.521
where: short stacking energy: -150.758
Base-Backbone interact. energy: -0.160
local terms energy: -160.310719
where:
bonds (distance) C4'-P energy: -29.306
bonds (distance) P-C4' energy: -30.379
flat angles C4'-P-C4' energy: -31.543
flat angles P-C4'-P energy: -24.486
tors. eta vs tors. theta energy: -44.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -489.964693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.964693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.964693 (E_RNA)
where:
Base-Base interactions energy: -343.958
where: short stacking energy: -153.205
Base-Backbone interact. energy: -0.239
local terms energy: -155.767787
where:
bonds (distance) C4'-P energy: -25.012
bonds (distance) P-C4' energy: -28.909
flat angles C4'-P-C4' energy: -28.978
flat angles P-C4'-P energy: -24.527
tors. eta vs tors. theta energy: -48.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -477.243401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.243401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.243401 (E_RNA)
where:
Base-Base interactions energy: -336.630
where: short stacking energy: -138.963
Base-Backbone interact. energy: -0.838
local terms energy: -149.775318
where:
bonds (distance) C4'-P energy: -27.164
bonds (distance) P-C4' energy: -22.743
flat angles C4'-P-C4' energy: -27.863
flat angles P-C4'-P energy: -27.103
tors. eta vs tors. theta energy: -44.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -480.053324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.053324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.053324 (E_RNA)
where:
Base-Base interactions energy: -339.018
where: short stacking energy: -137.496
Base-Backbone interact. energy: -0.255
local terms energy: -150.780361
where:
bonds (distance) C4'-P energy: -25.690
bonds (distance) P-C4' energy: -25.798
flat angles C4'-P-C4' energy: -29.702
flat angles P-C4'-P energy: -23.886
tors. eta vs tors. theta energy: -45.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -463.310508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.310508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.310508 (E_RNA)
where:
Base-Base interactions energy: -331.800
where: short stacking energy: -144.057
Base-Backbone interact. energy: -0.299
local terms energy: -141.211504
where:
bonds (distance) C4'-P energy: -23.536
bonds (distance) P-C4' energy: -21.335
flat angles C4'-P-C4' energy: -29.955
flat angles P-C4'-P energy: -20.874
tors. eta vs tors. theta energy: -45.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -430.505388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.505388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.505388 (E_RNA)
where:
Base-Base interactions energy: -299.503
where: short stacking energy: -124.854
Base-Backbone interact. energy: -1.120
local terms energy: -139.882136
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -28.731
flat angles C4'-P-C4' energy: -30.736
flat angles P-C4'-P energy: -21.357
tors. eta vs tors. theta energy: -40.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -443.438084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.438084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.438084 (E_RNA)
where:
Base-Base interactions energy: -308.785
where: short stacking energy: -136.286
Base-Backbone interact. energy: -0.165
local terms energy: -144.487910
where:
bonds (distance) C4'-P energy: -24.376
bonds (distance) P-C4' energy: -24.877
flat angles C4'-P-C4' energy: -27.564
flat angles P-C4'-P energy: -23.450
tors. eta vs tors. theta energy: -44.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -428.877274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.877274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.877274 (E_RNA)
where:
Base-Base interactions energy: -309.724
where: short stacking energy: -127.092
Base-Backbone interact. energy: 0.542
local terms energy: -129.695141
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -20.726
flat angles C4'-P-C4' energy: -27.982
flat angles P-C4'-P energy: -20.596
tors. eta vs tors. theta energy: -38.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -250.335255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.335255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.335255 (E_RNA)
where:
Base-Base interactions energy: -164.906
where: short stacking energy: -72.625
Base-Backbone interact. energy: 0.909
local terms energy: -96.338718
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -29.390
flat angles C4'-P-C4' energy: -21.117
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -203.112403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.112403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.112403 (E_RNA)
where:
Base-Base interactions energy: -123.832
where: short stacking energy: -50.533
Base-Backbone interact. energy: 0.636
local terms energy: -89.915885
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -28.014
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -17.912
tors. eta vs tors. theta energy: -3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -493.763143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.763143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.763143 (E_RNA)
where:
Base-Base interactions energy: -352.872
where: short stacking energy: -152.397
Base-Backbone interact. energy: -0.257
local terms energy: -150.634377
where:
bonds (distance) C4'-P energy: -30.378
bonds (distance) P-C4' energy: -23.361
flat angles C4'-P-C4' energy: -31.507
flat angles P-C4'-P energy: -19.787
tors. eta vs tors. theta energy: -45.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -494.661805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.661805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.661805 (E_RNA)
where:
Base-Base interactions energy: -354.307
where: short stacking energy: -151.022
Base-Backbone interact. energy: -0.127
local terms energy: -150.228589
where:
bonds (distance) C4'-P energy: -23.100
bonds (distance) P-C4' energy: -29.673
flat angles C4'-P-C4' energy: -28.075
flat angles P-C4'-P energy: -25.125
tors. eta vs tors. theta energy: -44.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -486.629265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.629265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.629265 (E_RNA)
where:
Base-Base interactions energy: -344.274
where: short stacking energy: -148.578
Base-Backbone interact. energy: -0.277
local terms energy: -152.077542
where:
bonds (distance) C4'-P energy: -26.009
bonds (distance) P-C4' energy: -27.782
flat angles C4'-P-C4' energy: -28.981
flat angles P-C4'-P energy: -23.886
tors. eta vs tors. theta energy: -45.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -482.707168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.707168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.707168 (E_RNA)
where:
Base-Base interactions energy: -336.536
where: short stacking energy: -144.065
Base-Backbone interact. energy: -0.248
local terms energy: -155.922537
where:
bonds (distance) C4'-P energy: -27.481
bonds (distance) P-C4' energy: -29.161
flat angles C4'-P-C4' energy: -29.934
flat angles P-C4'-P energy: -23.325
tors. eta vs tors. theta energy: -46.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -461.925023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.925023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.925023 (E_RNA)
where:
Base-Base interactions energy: -328.028
where: short stacking energy: -139.538
Base-Backbone interact. energy: -0.211
local terms energy: -143.685934
where:
bonds (distance) C4'-P energy: -21.937
bonds (distance) P-C4' energy: -25.455
flat angles C4'-P-C4' energy: -28.703
flat angles P-C4'-P energy: -24.245
tors. eta vs tors. theta energy: -43.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -458.135099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.135099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.135099 (E_RNA)
where:
Base-Base interactions energy: -323.878
where: short stacking energy: -143.716
Base-Backbone interact. energy: -0.706
local terms energy: -143.551814
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -26.631
flat angles C4'-P-C4' energy: -28.456
flat angles P-C4'-P energy: -19.484
tors. eta vs tors. theta energy: -41.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -462.229081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.229081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.229081 (E_RNA)
where:
Base-Base interactions energy: -328.191
where: short stacking energy: -144.388
Base-Backbone interact. energy: -0.008
local terms energy: -144.030060
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -27.076
flat angles C4'-P-C4' energy: -29.588
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -47.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -417.616404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.616404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.616404 (E_RNA)
where:
Base-Base interactions energy: -299.344
where: short stacking energy: -118.015
Base-Backbone interact. energy: -0.005
local terms energy: -128.268293
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -27.584
flat angles P-C4'-P energy: -19.906
tors. eta vs tors. theta energy: -36.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -270.530766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.530766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.530766 (E_RNA)
where:
Base-Base interactions energy: -178.806
where: short stacking energy: -77.197
Base-Backbone interact. energy: 0.245
local terms energy: -101.969674
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -25.901
flat angles C4'-P-C4' energy: -23.847
flat angles P-C4'-P energy: -20.182
tors. eta vs tors. theta energy: -14.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -218.047049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.047049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.047049 (E_RNA)
where:
Base-Base interactions energy: -127.782
where: short stacking energy: -66.891
Base-Backbone interact. energy: -0.173
local terms energy: -100.092054
where:
bonds (distance) C4'-P energy: -26.338
bonds (distance) P-C4' energy: -24.926
flat angles C4'-P-C4' energy: -21.494
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -493.892900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.892900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.892900 (E_RNA)
where:
Base-Base interactions energy: -360.921
where: short stacking energy: -154.453
Base-Backbone interact. energy: -0.051
local terms energy: -142.920393
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -24.679
flat angles C4'-P-C4' energy: -29.174
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -45.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -479.665184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.665184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.665184 (E_RNA)
where:
Base-Base interactions energy: -348.661
where: short stacking energy: -145.742
Base-Backbone interact. energy: -0.002
local terms energy: -141.002024
where:
bonds (distance) C4'-P energy: -22.138
bonds (distance) P-C4' energy: -23.142
flat angles C4'-P-C4' energy: -29.454
flat angles P-C4'-P energy: -22.838
tors. eta vs tors. theta energy: -43.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -483.961753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.961753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.961753 (E_RNA)
where:
Base-Base interactions energy: -351.638
where: short stacking energy: -149.936
Base-Backbone interact. energy: -0.028
local terms energy: -142.296473
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -27.540
flat angles C4'-P-C4' energy: -29.906
flat angles P-C4'-P energy: -21.909
tors. eta vs tors. theta energy: -43.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -481.151599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.151599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.151599 (E_RNA)
where:
Base-Base interactions energy: -333.653
where: short stacking energy: -145.157
Base-Backbone interact. energy: -0.180
local terms energy: -157.318516
where:
bonds (distance) C4'-P energy: -27.615
bonds (distance) P-C4' energy: -30.315
flat angles C4'-P-C4' energy: -31.553
flat angles P-C4'-P energy: -22.248
tors. eta vs tors. theta energy: -45.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -464.871865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.871865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.871865 (E_RNA)
where:
Base-Base interactions energy: -323.398
where: short stacking energy: -134.450
Base-Backbone interact. energy: -0.520
local terms energy: -150.953567
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -25.295
flat angles C4'-P-C4' energy: -29.803
flat angles P-C4'-P energy: -26.364
tors. eta vs tors. theta energy: -41.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -464.876510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.876510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.876510 (E_RNA)
where:
Base-Base interactions energy: -330.168
where: short stacking energy: -140.717
Base-Backbone interact. energy: -0.788
local terms energy: -143.920161
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -27.505
flat angles C4'-P-C4' energy: -29.804
flat angles P-C4'-P energy: -22.158
tors. eta vs tors. theta energy: -46.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -452.423057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.423057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.423057 (E_RNA)
where:
Base-Base interactions energy: -320.750
where: short stacking energy: -130.612
Base-Backbone interact. energy: -0.861
local terms energy: -140.811827
where:
bonds (distance) C4'-P energy: -26.937
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -30.576
flat angles P-C4'-P energy: -21.278
tors. eta vs tors. theta energy: -41.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -413.058847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.058847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.058847 (E_RNA)
where:
Base-Base interactions energy: -305.858
where: short stacking energy: -117.097
Base-Backbone interact. energy: -1.418
local terms energy: -115.783227
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -26.146
flat angles C4'-P-C4' energy: -28.915
flat angles P-C4'-P energy: -16.776
tors. eta vs tors. theta energy: -26.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -290.378305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.378305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.378305 (E_RNA)
where:
Base-Base interactions energy: -196.375
where: short stacking energy: -84.178
Base-Backbone interact. energy: -0.129
local terms energy: -103.874621
where:
bonds (distance) C4'-P energy: -19.944
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -22.928
flat angles P-C4'-P energy: -17.611
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -230.625323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.625323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.625323 (E_RNA)
where:
Base-Base interactions energy: -142.869
where: short stacking energy: -76.441
Base-Backbone interact. energy: 0.586
local terms energy: -98.342312
where:
bonds (distance) C4'-P energy: -21.724
bonds (distance) P-C4' energy: -24.512
flat angles C4'-P-C4' energy: -28.490
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -15.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -495.142794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.142794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.142794 (E_RNA)
where:
Base-Base interactions energy: -347.409
where: short stacking energy: -137.378
Base-Backbone interact. energy: -0.100
local terms energy: -157.633989
where:
bonds (distance) C4'-P energy: -29.921
bonds (distance) P-C4' energy: -31.498
flat angles C4'-P-C4' energy: -28.135
flat angles P-C4'-P energy: -24.495
tors. eta vs tors. theta energy: -43.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -487.973665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.973665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.973665 (E_RNA)
where:
Base-Base interactions energy: -346.074
where: short stacking energy: -150.386
Base-Backbone interact. energy: -0.009
local terms energy: -151.890973
where:
bonds (distance) C4'-P energy: -29.445
bonds (distance) P-C4' energy: -22.042
flat angles C4'-P-C4' energy: -31.475
flat angles P-C4'-P energy: -21.422
tors. eta vs tors. theta energy: -47.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -495.467109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.467109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.467109 (E_RNA)
where:
Base-Base interactions energy: -355.894
where: short stacking energy: -149.970
Base-Backbone interact. energy: -0.218
local terms energy: -149.355671
where:
bonds (distance) C4'-P energy: -25.475
bonds (distance) P-C4' energy: -26.638
flat angles C4'-P-C4' energy: -32.545
flat angles P-C4'-P energy: -16.087
tors. eta vs tors. theta energy: -48.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -483.271992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.271992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.271992 (E_RNA)
where:
Base-Base interactions energy: -340.228
where: short stacking energy: -143.561
Base-Backbone interact. energy: -0.016
local terms energy: -153.027263
where:
bonds (distance) C4'-P energy: -29.624
bonds (distance) P-C4' energy: -30.410
flat angles C4'-P-C4' energy: -30.982
flat angles P-C4'-P energy: -19.459
tors. eta vs tors. theta energy: -42.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -470.093700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.093700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.093700 (E_RNA)
where:
Base-Base interactions energy: -335.497
where: short stacking energy: -141.256
Base-Backbone interact. energy: -0.521
local terms energy: -144.076402
where:
bonds (distance) C4'-P energy: -22.885
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -30.332
flat angles P-C4'-P energy: -24.151
tors. eta vs tors. theta energy: -46.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -442.371374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.371374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.371374 (E_RNA)
where:
Base-Base interactions energy: -318.245
where: short stacking energy: -132.453
Base-Backbone interact. energy: -0.161
local terms energy: -133.964591
where:
bonds (distance) C4'-P energy: -26.117
bonds (distance) P-C4' energy: -22.276
flat angles C4'-P-C4' energy: -28.388
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -41.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -442.162718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.162718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.162718 (E_RNA)
where:
Base-Base interactions energy: -315.751
where: short stacking energy: -132.943
Base-Backbone interact. energy: 0.370
local terms energy: -136.781723
where:
bonds (distance) C4'-P energy: -28.559
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -29.114
flat angles P-C4'-P energy: -20.566
tors. eta vs tors. theta energy: -41.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -431.335480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.335480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.335480 (E_RNA)
where:
Base-Base interactions energy: -313.321
where: short stacking energy: -121.839
Base-Backbone interact. energy: -0.305
local terms energy: -127.709926
where:
bonds (distance) C4'-P energy: -23.267
bonds (distance) P-C4' energy: -23.877
flat angles C4'-P-C4' energy: -22.767
flat angles P-C4'-P energy: -20.272
tors. eta vs tors. theta energy: -37.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -253.512510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.512510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.512510 (E_RNA)
where:
Base-Base interactions energy: -166.664
where: short stacking energy: -87.576
Base-Backbone interact. energy: -0.037
local terms energy: -96.810789
where:
bonds (distance) C4'-P energy: -19.211
bonds (distance) P-C4' energy: -27.683
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -222.509193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.509193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.509193 (E_RNA)
where:
Base-Base interactions energy: -134.061
where: short stacking energy: -66.575
Base-Backbone interact. energy: -1.421
local terms energy: -97.027001
where:
bonds (distance) C4'-P energy: -22.144
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -17.175
tors. eta vs tors. theta energy: -15.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -496.625088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.625088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.625088 (E_RNA)
where:
Base-Base interactions energy: -353.162
where: short stacking energy: -151.584
Base-Backbone interact. energy: -0.001
local terms energy: -153.462237
where:
bonds (distance) C4'-P energy: -29.003
bonds (distance) P-C4' energy: -28.314
flat angles C4'-P-C4' energy: -29.994
flat angles P-C4'-P energy: -20.829
tors. eta vs tors. theta energy: -45.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -493.631514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.631514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.631514 (E_RNA)
where:
Base-Base interactions energy: -351.771
where: short stacking energy: -146.250
Base-Backbone interact. energy: -0.015
local terms energy: -151.845178
where:
bonds (distance) C4'-P energy: -24.965
bonds (distance) P-C4' energy: -28.805
flat angles C4'-P-C4' energy: -31.900
flat angles P-C4'-P energy: -19.979
tors. eta vs tors. theta energy: -46.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -474.517374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.517374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.517374 (E_RNA)
where:
Base-Base interactions energy: -335.115
where: short stacking energy: -147.543
Base-Backbone interact. energy: -0.433
local terms energy: -148.969725
where:
bonds (distance) C4'-P energy: -27.634
bonds (distance) P-C4' energy: -24.334
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -44.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -475.730473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.730473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.730473 (E_RNA)
where:
Base-Base interactions energy: -342.360
where: short stacking energy: -148.733
Base-Backbone interact. energy: 2.034
local terms energy: -145.404121
where:
bonds (distance) C4'-P energy: -26.324
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -25.952
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -44.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -459.243015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.243015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.243015 (E_RNA)
where:
Base-Base interactions energy: -327.805
where: short stacking energy: -135.027
Base-Backbone interact. energy: -0.093
local terms energy: -141.344722
where:
bonds (distance) C4'-P energy: -29.122
bonds (distance) P-C4' energy: -22.588
flat angles C4'-P-C4' energy: -28.884
flat angles P-C4'-P energy: -17.602
tors. eta vs tors. theta energy: -43.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -453.685604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.685604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.685604 (E_RNA)
where:
Base-Base interactions energy: -327.469
where: short stacking energy: -129.685
Base-Backbone interact. energy: -0.219
local terms energy: -135.997163
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -27.758
flat angles C4'-P-C4' energy: -25.347
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -42.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -452.506033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.506033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.506033 (E_RNA)
where:
Base-Base interactions energy: -315.435
where: short stacking energy: -139.054
Base-Backbone interact. energy: -0.192
local terms energy: -146.878874
where:
bonds (distance) C4'-P energy: -31.837
bonds (distance) P-C4' energy: -23.444
flat angles C4'-P-C4' energy: -30.981
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -41.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -442.129053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.129053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.129053 (E_RNA)
where:
Base-Base interactions energy: -321.234
where: short stacking energy: -137.771
Base-Backbone interact. energy: -0.024
local terms energy: -130.871759
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -19.666
flat angles C4'-P-C4' energy: -26.844
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -43.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -266.314496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.314496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.314496 (E_RNA)
where:
Base-Base interactions energy: -167.181
where: short stacking energy: -82.970
Base-Backbone interact. energy: -1.020
local terms energy: -108.112862
where:
bonds (distance) C4'-P energy: -24.893
bonds (distance) P-C4' energy: -25.491
flat angles C4'-P-C4' energy: -24.545
flat angles P-C4'-P energy: -14.690
tors. eta vs tors. theta energy: -18.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -236.356945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.356945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.356945 (E_RNA)
where:
Base-Base interactions energy: -152.614
where: short stacking energy: -77.104
Base-Backbone interact. energy: -0.301
local terms energy: -93.441335
where:
bonds (distance) C4'-P energy: -22.468
bonds (distance) P-C4' energy: -16.837
flat angles C4'-P-C4' energy: -28.334
flat angles P-C4'-P energy: -16.202
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -500.177132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.177132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.177132 (E_RNA)
where:
Base-Base interactions energy: -356.612
where: short stacking energy: -139.727
Base-Backbone interact. energy: -0.093
local terms energy: -153.472313
where:
bonds (distance) C4'-P energy: -27.459
bonds (distance) P-C4' energy: -28.347
flat angles C4'-P-C4' energy: -30.621
flat angles P-C4'-P energy: -24.940
tors. eta vs tors. theta energy: -42.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -496.868610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.868610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.868610 (E_RNA)
where:
Base-Base interactions energy: -350.254
where: short stacking energy: -148.331
Base-Backbone interact. energy: 0.272
local terms energy: -156.886433
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -27.266
flat angles C4'-P-C4' energy: -32.953
flat angles P-C4'-P energy: -23.746
tors. eta vs tors. theta energy: -46.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -478.948561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.948561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.948561 (E_RNA)
where:
Base-Base interactions energy: -347.041
where: short stacking energy: -141.606
Base-Backbone interact. energy: -0.917
local terms energy: -140.990155
where:
bonds (distance) C4'-P energy: -25.358
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -29.297
flat angles P-C4'-P energy: -22.688
tors. eta vs tors. theta energy: -45.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -479.749079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.749079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.749079 (E_RNA)
where:
Base-Base interactions energy: -341.592
where: short stacking energy: -142.835
Base-Backbone interact. energy: -0.002
local terms energy: -148.155067
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -26.281
flat angles C4'-P-C4' energy: -28.783
flat angles P-C4'-P energy: -23.843
tors. eta vs tors. theta energy: -44.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -461.934179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.934179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.934179 (E_RNA)
where:
Base-Base interactions energy: -337.813
where: short stacking energy: -134.566
Base-Backbone interact. energy: 0.078
local terms energy: -134.199833
where:
bonds (distance) C4'-P energy: -22.250
bonds (distance) P-C4' energy: -28.216
flat angles C4'-P-C4' energy: -23.364
flat angles P-C4'-P energy: -17.487
tors. eta vs tors. theta energy: -42.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -456.036257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.036257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.036257 (E_RNA)
where:
Base-Base interactions energy: -325.437
where: short stacking energy: -135.706
Base-Backbone interact. energy: -0.201
local terms energy: -140.398006
where:
bonds (distance) C4'-P energy: -25.310
bonds (distance) P-C4' energy: -27.044
flat angles C4'-P-C4' energy: -24.973
flat angles P-C4'-P energy: -19.687
tors. eta vs tors. theta energy: -43.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -446.313376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.313376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.313376 (E_RNA)
where:
Base-Base interactions energy: -322.068
where: short stacking energy: -134.609
Base-Backbone interact. energy: -0.159
local terms energy: -134.086520
where:
bonds (distance) C4'-P energy: -20.297
bonds (distance) P-C4' energy: -25.162
flat angles C4'-P-C4' energy: -30.389
flat angles P-C4'-P energy: -18.211
tors. eta vs tors. theta energy: -40.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -407.827132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.827132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.827132 (E_RNA)
where:
Base-Base interactions energy: -282.744
where: short stacking energy: -109.874
Base-Backbone interact. energy: -0.133
local terms energy: -134.950162
where:
bonds (distance) C4'-P energy: -24.768
bonds (distance) P-C4' energy: -22.604
flat angles C4'-P-C4' energy: -31.944
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -40.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -233.476423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.476423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.476423 (E_RNA)
where:
Base-Base interactions energy: -140.986
where: short stacking energy: -63.966
Base-Backbone interact. energy: -0.068
local terms energy: -102.423112
where:
bonds (distance) C4'-P energy: -28.291
bonds (distance) P-C4' energy: -26.511
flat angles C4'-P-C4' energy: -25.729
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -11.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -215.231776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.231776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.231776 (E_RNA)
where:
Base-Base interactions energy: -125.893
where: short stacking energy: -65.556
Base-Backbone interact. energy: -0.096
local terms energy: -99.242326
where:
bonds (distance) C4'-P energy: -23.432
bonds (distance) P-C4' energy: -24.803
flat angles C4'-P-C4' energy: -24.697
flat angles P-C4'-P energy: -18.054
tors. eta vs tors. theta energy: -8.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -495.713095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.713095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.713095 (E_RNA)
where:
Base-Base interactions energy: -354.029
where: short stacking energy: -153.127
Base-Backbone interact. energy: -0.022
local terms energy: -151.662395
where:
bonds (distance) C4'-P energy: -24.673
bonds (distance) P-C4' energy: -26.948
flat angles C4'-P-C4' energy: -30.393
flat angles P-C4'-P energy: -20.741
tors. eta vs tors. theta energy: -48.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -493.877614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.877614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.877614 (E_RNA)
where:
Base-Base interactions energy: -350.096
where: short stacking energy: -155.230
Base-Backbone interact. energy: -0.031
local terms energy: -153.750217
where:
bonds (distance) C4'-P energy: -25.737
bonds (distance) P-C4' energy: -27.740
flat angles C4'-P-C4' energy: -28.819
flat angles P-C4'-P energy: -23.256
tors. eta vs tors. theta energy: -48.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -481.492884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.492884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.492884 (E_RNA)
where:
Base-Base interactions energy: -351.927
where: short stacking energy: -144.572
Base-Backbone interact. energy: 2.152
local terms energy: -141.717719
where:
bonds (distance) C4'-P energy: -23.343
bonds (distance) P-C4' energy: -24.072
flat angles C4'-P-C4' energy: -32.309
flat angles P-C4'-P energy: -18.036
tors. eta vs tors. theta energy: -43.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -467.030443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.030443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.030443 (E_RNA)
where:
Base-Base interactions energy: -328.137
where: short stacking energy: -137.778
Base-Backbone interact. energy: -0.520
local terms energy: -148.373597
where:
bonds (distance) C4'-P energy: -26.323
bonds (distance) P-C4' energy: -28.963
flat angles C4'-P-C4' energy: -29.997
flat angles P-C4'-P energy: -18.351
tors. eta vs tors. theta energy: -44.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -459.573372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.573372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.573372 (E_RNA)
where:
Base-Base interactions energy: -336.128
where: short stacking energy: -135.917
Base-Backbone interact. energy: -0.172
local terms energy: -133.273870
where:
bonds (distance) C4'-P energy: -25.666
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -29.179
flat angles P-C4'-P energy: -17.206
tors. eta vs tors. theta energy: -41.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -467.282272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.282272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.282272 (E_RNA)
where:
Base-Base interactions energy: -332.241
where: short stacking energy: -150.703
Base-Backbone interact. energy: -0.101
local terms energy: -144.939908
where:
bonds (distance) C4'-P energy: -21.050
bonds (distance) P-C4' energy: -29.351
flat angles C4'-P-C4' energy: -28.490
flat angles P-C4'-P energy: -20.447
tors. eta vs tors. theta energy: -45.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -442.268317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.268317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.268317 (E_RNA)
where:
Base-Base interactions energy: -309.876
where: short stacking energy: -138.331
Base-Backbone interact. energy: -0.004
local terms energy: -142.388768
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -23.814
flat angles C4'-P-C4' energy: -29.881
flat angles P-C4'-P energy: -20.260
tors. eta vs tors. theta energy: -44.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -435.565519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.565519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.565519 (E_RNA)
where:
Base-Base interactions energy: -312.148
where: short stacking energy: -130.290
Base-Backbone interact. energy: -0.019
local terms energy: -133.398024
where:
bonds (distance) C4'-P energy: -26.371
bonds (distance) P-C4' energy: -25.903
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -19.154
tors. eta vs tors. theta energy: -41.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -234.673923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.673923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.673923 (E_RNA)
where:
Base-Base interactions energy: -144.661
where: short stacking energy: -70.134
Base-Backbone interact. energy: -0.193
local terms energy: -99.820327
where:
bonds (distance) C4'-P energy: -20.791
bonds (distance) P-C4' energy: -27.173
flat angles C4'-P-C4' energy: -27.378
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -13.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -215.322791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.322791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.322791 (E_RNA)
where:
Base-Base interactions energy: -150.841
where: short stacking energy: -74.871
Base-Backbone interact. energy: -0.371
local terms energy: -74.110787
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -21.347
flat angles C4'-P-C4' energy: -24.682
flat angles P-C4'-P energy: -5.013
tors. eta vs tors. theta energy: -12.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -497.436618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.436618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.436618 (E_RNA)
where:
Base-Base interactions energy: -353.147
where: short stacking energy: -144.817
Base-Backbone interact. energy: -0.004
local terms energy: -154.286207
where:
bonds (distance) C4'-P energy: -28.559
bonds (distance) P-C4' energy: -23.616
flat angles C4'-P-C4' energy: -32.493
flat angles P-C4'-P energy: -26.020
tors. eta vs tors. theta energy: -43.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -485.274656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.274656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.274656 (E_RNA)
where:
Base-Base interactions energy: -348.186
where: short stacking energy: -148.737
Base-Backbone interact. energy: -0.064
local terms energy: -147.024444
where:
bonds (distance) C4'-P energy: -26.543
bonds (distance) P-C4' energy: -26.459
flat angles C4'-P-C4' energy: -30.929
flat angles P-C4'-P energy: -18.009
tors. eta vs tors. theta energy: -45.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -480.659455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.659455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.659455 (E_RNA)
where:
Base-Base interactions energy: -351.074
where: short stacking energy: -135.769
Base-Backbone interact. energy: -0.029
local terms energy: -139.557161
where:
bonds (distance) C4'-P energy: -26.192
bonds (distance) P-C4' energy: -27.463
flat angles C4'-P-C4' energy: -26.701
flat angles P-C4'-P energy: -18.079
tors. eta vs tors. theta energy: -41.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -485.054464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.054464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.054464 (E_RNA)
where:
Base-Base interactions energy: -346.453
where: short stacking energy: -140.956
Base-Backbone interact. energy: -0.003
local terms energy: -148.599096
where:
bonds (distance) C4'-P energy: -26.647
bonds (distance) P-C4' energy: -30.424
flat angles C4'-P-C4' energy: -26.551
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -44.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -480.568244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.568244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.568244 (E_RNA)
where:
Base-Base interactions energy: -346.095
where: short stacking energy: -150.276
Base-Backbone interact. energy: -0.246
local terms energy: -144.227813
where:
bonds (distance) C4'-P energy: -22.844
bonds (distance) P-C4' energy: -24.880
flat angles C4'-P-C4' energy: -30.119
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: -44.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -456.542337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.542337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.542337 (E_RNA)
where:
Base-Base interactions energy: -323.151
where: short stacking energy: -141.845
Base-Backbone interact. energy: 0.095
local terms energy: -143.485878
where:
bonds (distance) C4'-P energy: -23.796
bonds (distance) P-C4' energy: -24.158
flat angles C4'-P-C4' energy: -27.882
flat angles P-C4'-P energy: -25.003
tors. eta vs tors. theta energy: -42.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -438.615443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.615443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.615443 (E_RNA)
where:
Base-Base interactions energy: -316.624
where: short stacking energy: -133.637
Base-Backbone interact. energy: -0.007
local terms energy: -131.984527
where:
bonds (distance) C4'-P energy: -25.248
bonds (distance) P-C4' energy: -20.068
flat angles C4'-P-C4' energy: -30.556
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -39.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -433.427287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.427287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.427287 (E_RNA)
where:
Base-Base interactions energy: -318.816
where: short stacking energy: -131.582
Base-Backbone interact. energy: -0.055
local terms energy: -124.556943
where:
bonds (distance) C4'-P energy: -19.486
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -24.268
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -42.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -229.216629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.216629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.216629 (E_RNA)
where:
Base-Base interactions energy: -139.192
where: short stacking energy: -73.115
Base-Backbone interact. energy: -0.138
local terms energy: -99.886132
where:
bonds (distance) C4'-P energy: -26.357
bonds (distance) P-C4' energy: -26.134
flat angles C4'-P-C4' energy: -24.167
flat angles P-C4'-P energy: -12.729
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -268.280288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.280288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.280288 (E_RNA)
where:
Base-Base interactions energy: -175.810
where: short stacking energy: -83.616
Base-Backbone interact. energy: -0.519
local terms energy: -101.951394
where:
bonds (distance) C4'-P energy: -22.414
bonds (distance) P-C4' energy: -22.726
flat angles C4'-P-C4' energy: -21.783
flat angles P-C4'-P energy: -16.141
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -494.554412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.554412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.554412 (E_RNA)
where:
Base-Base interactions energy: -352.916
where: short stacking energy: -154.925
Base-Backbone interact. energy: -0.005
local terms energy: -151.633710
where:
bonds (distance) C4'-P energy: -22.193
bonds (distance) P-C4' energy: -28.620
flat angles C4'-P-C4' energy: -33.276
flat angles P-C4'-P energy: -23.340
tors. eta vs tors. theta energy: -44.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -494.819510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.819510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.819510 (E_RNA)
where:
Base-Base interactions energy: -348.469
where: short stacking energy: -145.045
Base-Backbone interact. energy: -0.057
local terms energy: -156.293707
where:
bonds (distance) C4'-P energy: -25.458
bonds (distance) P-C4' energy: -28.888
flat angles C4'-P-C4' energy: -32.776
flat angles P-C4'-P energy: -25.332
tors. eta vs tors. theta energy: -43.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -486.134464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.134464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.134464 (E_RNA)
where:
Base-Base interactions energy: -338.196
where: short stacking energy: -150.725
Base-Backbone interact. energy: -0.002
local terms energy: -157.936909
where:
bonds (distance) C4'-P energy: -30.751
bonds (distance) P-C4' energy: -26.303
flat angles C4'-P-C4' energy: -31.866
flat angles P-C4'-P energy: -23.011
tors. eta vs tors. theta energy: -46.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -487.705774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.705774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.705774 (E_RNA)
where:
Base-Base interactions energy: -359.496
where: short stacking energy: -146.285
Base-Backbone interact. energy: -0.862
local terms energy: -137.347271
where:
bonds (distance) C4'-P energy: -21.404
bonds (distance) P-C4' energy: -24.903
flat angles C4'-P-C4' energy: -22.956
flat angles P-C4'-P energy: -22.475
tors. eta vs tors. theta energy: -45.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -468.388551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.388551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.388551 (E_RNA)
where:
Base-Base interactions energy: -341.497
where: short stacking energy: -141.805
Base-Backbone interact. energy: -0.004
local terms energy: -136.886911
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -24.848
flat angles C4'-P-C4' energy: -31.457
flat angles P-C4'-P energy: -19.567
tors. eta vs tors. theta energy: -39.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -452.625295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.625295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.625295 (E_RNA)
where:
Base-Base interactions energy: -324.263
where: short stacking energy: -137.100
Base-Backbone interact. energy: -0.034
local terms energy: -138.328908
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -23.083
flat angles C4'-P-C4' energy: -31.900
flat angles P-C4'-P energy: -24.126
tors. eta vs tors. theta energy: -44.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -433.386751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.386751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.386751 (E_RNA)
where:
Base-Base interactions energy: -301.092
where: short stacking energy: -135.376
Base-Backbone interact. energy: -0.366
local terms energy: -141.929173
where:
bonds (distance) C4'-P energy: -28.779
bonds (distance) P-C4' energy: -28.128
flat angles C4'-P-C4' energy: -25.625
flat angles P-C4'-P energy: -17.303
tors. eta vs tors. theta energy: -42.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -414.091418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.091418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.091418 (E_RNA)
where:
Base-Base interactions energy: -303.558
where: short stacking energy: -120.025
Base-Backbone interact. energy: -0.233
local terms energy: -120.300599
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -26.354
flat angles C4'-P-C4' energy: -22.608
flat angles P-C4'-P energy: -20.257
tors. eta vs tors. theta energy: -32.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -216.820064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.820064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.820064 (E_RNA)
where:
Base-Base interactions energy: -141.812
where: short stacking energy: -66.848
Base-Backbone interact. energy: -0.184
local terms energy: -84.823671
where:
bonds (distance) C4'-P energy: -20.707
bonds (distance) P-C4' energy: -23.280
flat angles C4'-P-C4' energy: -11.307
flat angles P-C4'-P energy: -14.588
tors. eta vs tors. theta energy: -14.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -242.133985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.133985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.133985 (E_RNA)
where:
Base-Base interactions energy: -145.076
where: short stacking energy: -65.398
Base-Backbone interact. energy: 0.225
local terms energy: -107.282846
where:
bonds (distance) C4'-P energy: -28.485
bonds (distance) P-C4' energy: -31.536
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -11.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -499.957942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.957942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.957942 (E_RNA)
where:
Base-Base interactions energy: -365.055
where: short stacking energy: -154.761
Base-Backbone interact. energy: -0.014
local terms energy: -144.889345
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -25.762
flat angles C4'-P-C4' energy: -27.763
flat angles P-C4'-P energy: -23.637
tors. eta vs tors. theta energy: -45.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -493.734798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.734798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.734798 (E_RNA)
where:
Base-Base interactions energy: -345.925
where: short stacking energy: -150.981
Base-Backbone interact. energy: -0.273
local terms energy: -157.536848
where:
bonds (distance) C4'-P energy: -27.781
bonds (distance) P-C4' energy: -28.389
flat angles C4'-P-C4' energy: -32.903
flat angles P-C4'-P energy: -23.302
tors. eta vs tors. theta energy: -45.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -486.416223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.416223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.416223 (E_RNA)
where:
Base-Base interactions energy: -342.659
where: short stacking energy: -137.905
Base-Backbone interact. energy: -0.286
local terms energy: -153.471136
where:
bonds (distance) C4'-P energy: -31.502
bonds (distance) P-C4' energy: -29.249
flat angles C4'-P-C4' energy: -28.519
flat angles P-C4'-P energy: -19.448
tors. eta vs tors. theta energy: -44.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -476.171910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.171910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.171910 (E_RNA)
where:
Base-Base interactions energy: -335.479
where: short stacking energy: -141.944
Base-Backbone interact. energy: -0.019
local terms energy: -150.673820
where:
bonds (distance) C4'-P energy: -28.034
bonds (distance) P-C4' energy: -28.963
flat angles C4'-P-C4' energy: -30.476
flat angles P-C4'-P energy: -22.045
tors. eta vs tors. theta energy: -41.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -470.864934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.864934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.864934 (E_RNA)
where:
Base-Base interactions energy: -340.570
where: short stacking energy: -135.949
Base-Backbone interact. energy: -0.022
local terms energy: -140.272812
where:
bonds (distance) C4'-P energy: -25.752
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -31.720
flat angles P-C4'-P energy: -22.400
tors. eta vs tors. theta energy: -39.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -450.242211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.242211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.242211 (E_RNA)
where:
Base-Base interactions energy: -326.245
where: short stacking energy: -141.465
Base-Backbone interact. energy: -0.147
local terms energy: -133.849851
where:
bonds (distance) C4'-P energy: -25.976
bonds (distance) P-C4' energy: -26.317
flat angles C4'-P-C4' energy: -23.185
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -45.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -447.463723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.463723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.463723 (E_RNA)
where:
Base-Base interactions energy: -329.412
where: short stacking energy: -131.506
Base-Backbone interact. energy: -0.107
local terms energy: -127.944565
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -19.758
flat angles C4'-P-C4' energy: -27.860
flat angles P-C4'-P energy: -22.351
tors. eta vs tors. theta energy: -40.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -438.086923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.086923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.086923 (E_RNA)
where:
Base-Base interactions energy: -314.283
where: short stacking energy: -136.731
Base-Backbone interact. energy: -0.014
local terms energy: -133.790250
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -28.813
flat angles P-C4'-P energy: -19.650
tors. eta vs tors. theta energy: -44.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -227.310804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.310804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.310804 (E_RNA)
where:
Base-Base interactions energy: -134.135
where: short stacking energy: -69.581
Base-Backbone interact. energy: -0.636
local terms energy: -102.540180
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -27.223
flat angles C4'-P-C4' energy: -27.128
flat angles P-C4'-P energy: -19.635
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -198.939211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.939211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.939211 (E_RNA)
where:
Base-Base interactions energy: -118.609
where: short stacking energy: -65.335
Base-Backbone interact. energy: 2.738
local terms energy: -93.068082
where:
bonds (distance) C4'-P energy: -24.478
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -22.473
flat angles P-C4'-P energy: -19.426
tors. eta vs tors. theta energy: -7.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -494.442863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.442863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.442863 (E_RNA)
where:
Base-Base interactions energy: -360.306
where: short stacking energy: -155.224
Base-Backbone interact. energy: -0.002
local terms energy: -144.135441
where:
bonds (distance) C4'-P energy: -22.908
bonds (distance) P-C4' energy: -22.204
flat angles C4'-P-C4' energy: -30.154
flat angles P-C4'-P energy: -21.418
tors. eta vs tors. theta energy: -47.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -487.956556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.956556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.956556 (E_RNA)
where:
Base-Base interactions energy: -344.355
where: short stacking energy: -148.947
Base-Backbone interact. energy: -0.210
local terms energy: -153.392355
where:
bonds (distance) C4'-P energy: -24.247
bonds (distance) P-C4' energy: -28.630
flat angles C4'-P-C4' energy: -29.478
flat angles P-C4'-P energy: -23.967
tors. eta vs tors. theta energy: -47.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -488.479606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.479606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.479606 (E_RNA)
where:
Base-Base interactions energy: -352.727
where: short stacking energy: -150.324
Base-Backbone interact. energy: -0.109
local terms energy: -145.643834
where:
bonds (distance) C4'-P energy: -24.728
bonds (distance) P-C4' energy: -27.840
flat angles C4'-P-C4' energy: -29.767
flat angles P-C4'-P energy: -18.910
tors. eta vs tors. theta energy: -44.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -486.616955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.616955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.616955 (E_RNA)
where:
Base-Base interactions energy: -353.456
where: short stacking energy: -141.375
Base-Backbone interact. energy: -0.004
local terms energy: -143.156432
where:
bonds (distance) C4'-P energy: -23.736
bonds (distance) P-C4' energy: -23.830
flat angles C4'-P-C4' energy: -27.243
flat angles P-C4'-P energy: -22.799
tors. eta vs tors. theta energy: -45.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -474.952964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.952964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.952964 (E_RNA)
where:
Base-Base interactions energy: -343.426
where: short stacking energy: -150.094
Base-Backbone interact. energy: -0.107
local terms energy: -141.420221
where:
bonds (distance) C4'-P energy: -22.702
bonds (distance) P-C4' energy: -21.298
flat angles C4'-P-C4' energy: -29.099
flat angles P-C4'-P energy: -21.329
tors. eta vs tors. theta energy: -46.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -451.728433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.728433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.728433 (E_RNA)
where:
Base-Base interactions energy: -327.040
where: short stacking energy: -135.665
Base-Backbone interact. energy: -0.614
local terms energy: -134.074345
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -24.115
flat angles C4'-P-C4' energy: -30.067
flat angles P-C4'-P energy: -18.977
tors. eta vs tors. theta energy: -44.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -433.088635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.088635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.088635 (E_RNA)
where:
Base-Base interactions energy: -315.344
where: short stacking energy: -128.781
Base-Backbone interact. energy: -0.854
local terms energy: -126.890008
where:
bonds (distance) C4'-P energy: -24.640
bonds (distance) P-C4' energy: -23.679
flat angles C4'-P-C4' energy: -23.521
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -39.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -443.785755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.785755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.785755 (E_RNA)
where:
Base-Base interactions energy: -318.761
where: short stacking energy: -123.947
Base-Backbone interact. energy: -0.172
local terms energy: -134.852557
where:
bonds (distance) C4'-P energy: -23.576
bonds (distance) P-C4' energy: -21.191
flat angles C4'-P-C4' energy: -27.247
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -44.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -221.816334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.816334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.816334 (E_RNA)
where:
Base-Base interactions energy: -134.720
where: short stacking energy: -53.325
Base-Backbone interact. energy: -0.545
local terms energy: -96.550953
where:
bonds (distance) C4'-P energy: -21.894
bonds (distance) P-C4' energy: -29.880
flat angles C4'-P-C4' energy: -23.829
flat angles P-C4'-P energy: -14.359
tors. eta vs tors. theta energy: -6.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -200.815563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.815563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.815563 (E_RNA)
where:
Base-Base interactions energy: -118.679
where: short stacking energy: -65.498
Base-Backbone interact. energy: -0.281
local terms energy: -91.855881
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -32.712
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -10.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -498.121115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.121115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.121115 (E_RNA)
where:
Base-Base interactions energy: -361.539
where: short stacking energy: -151.607
Base-Backbone interact. energy: -0.080
local terms energy: -146.502680
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -22.814
flat angles C4'-P-C4' energy: -27.077
flat angles P-C4'-P energy: -25.251
tors. eta vs tors. theta energy: -45.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -491.534622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.534622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.534622 (E_RNA)
where:
Base-Base interactions energy: -345.152
where: short stacking energy: -149.997
Base-Backbone interact. energy: -0.025
local terms energy: -156.357987
where:
bonds (distance) C4'-P energy: -30.650
bonds (distance) P-C4' energy: -27.001
flat angles C4'-P-C4' energy: -31.403
flat angles P-C4'-P energy: -19.873
tors. eta vs tors. theta energy: -47.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -479.863779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.863779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.863779 (E_RNA)
where:
Base-Base interactions energy: -341.775
where: short stacking energy: -144.241
Base-Backbone interact. energy: -0.279
local terms energy: -147.809862
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -26.612
flat angles C4'-P-C4' energy: -29.404
flat angles P-C4'-P energy: -19.457
tors. eta vs tors. theta energy: -45.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -481.777046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.777046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.777046 (E_RNA)
where:
Base-Base interactions energy: -340.632
where: short stacking energy: -146.394
Base-Backbone interact. energy: -0.009
local terms energy: -151.136536
where:
bonds (distance) C4'-P energy: -25.754
bonds (distance) P-C4' energy: -26.883
flat angles C4'-P-C4' energy: -29.827
flat angles P-C4'-P energy: -22.369
tors. eta vs tors. theta energy: -46.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -471.851109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.851109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.851109 (E_RNA)
where:
Base-Base interactions energy: -345.252
where: short stacking energy: -149.317
Base-Backbone interact. energy: -0.014
local terms energy: -136.584755
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -29.820
flat angles C4'-P-C4' energy: -28.418
flat angles P-C4'-P energy: -19.846
tors. eta vs tors. theta energy: -43.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -451.762858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.762858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.762858 (E_RNA)
where:
Base-Base interactions energy: -329.617
where: short stacking energy: -136.605
Base-Backbone interact. energy: 0.283
local terms energy: -132.429253
where:
bonds (distance) C4'-P energy: -25.094
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -28.830
flat angles P-C4'-P energy: -18.323
tors. eta vs tors. theta energy: -40.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -435.742849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.742849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.742849 (E_RNA)
where:
Base-Base interactions energy: -314.147
where: short stacking energy: -127.031
Base-Backbone interact. energy: 0.502
local terms energy: -132.097485
where:
bonds (distance) C4'-P energy: -26.097
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -25.958
flat angles P-C4'-P energy: -23.447
tors. eta vs tors. theta energy: -36.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -428.778216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.778216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.778216 (E_RNA)
where:
Base-Base interactions energy: -320.041
where: short stacking energy: -125.439
Base-Backbone interact. energy: -0.236
local terms energy: -118.501583
where:
bonds (distance) C4'-P energy: -17.468
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -27.719
flat angles P-C4'-P energy: -18.086
tors. eta vs tors. theta energy: -39.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -268.700908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.700908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.700908 (E_RNA)
where:
Base-Base interactions energy: -186.499
where: short stacking energy: -91.114
Base-Backbone interact. energy: -0.638
local terms energy: -91.563822
where:
bonds (distance) C4'-P energy: -23.157
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -222.562776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.562776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.562776 (E_RNA)
where:
Base-Base interactions energy: -141.868
where: short stacking energy: -71.415
Base-Backbone interact. energy: 0.206
local terms energy: -90.901013
where:
bonds (distance) C4'-P energy: -20.222
bonds (distance) P-C4' energy: -25.040
flat angles C4'-P-C4' energy: -24.244
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -486.298455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.298455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.298455 (E_RNA)
where:
Base-Base interactions energy: -350.441
where: short stacking energy: -152.020
Base-Backbone interact. energy: -0.015
local terms energy: -145.842426
where:
bonds (distance) C4'-P energy: -28.559
bonds (distance) P-C4' energy: -26.726
flat angles C4'-P-C4' energy: -27.315
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -44.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -494.245662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.245662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.245662 (E_RNA)
where:
Base-Base interactions energy: -351.023
where: short stacking energy: -147.675
Base-Backbone interact. energy: -0.644
local terms energy: -152.579533
where:
bonds (distance) C4'-P energy: -23.662
bonds (distance) P-C4' energy: -30.628
flat angles C4'-P-C4' energy: -32.489
flat angles P-C4'-P energy: -22.307
tors. eta vs tors. theta energy: -43.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -488.167122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.167122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.167122 (E_RNA)
where:
Base-Base interactions energy: -345.984
where: short stacking energy: -142.987
Base-Backbone interact. energy: -0.029
local terms energy: -152.154341
where:
bonds (distance) C4'-P energy: -27.189
bonds (distance) P-C4' energy: -29.701
flat angles C4'-P-C4' energy: -31.261
flat angles P-C4'-P energy: -20.261
tors. eta vs tors. theta energy: -43.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -469.350667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.350667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.350667 (E_RNA)
where:
Base-Base interactions energy: -340.132
where: short stacking energy: -134.649
Base-Backbone interact. energy: 0.297
local terms energy: -139.515123
where:
bonds (distance) C4'-P energy: -23.703
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -28.639
flat angles P-C4'-P energy: -21.046
tors. eta vs tors. theta energy: -41.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -457.468055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.468055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.468055 (E_RNA)
where:
Base-Base interactions energy: -332.933
where: short stacking energy: -136.593
Base-Backbone interact. energy: -0.700
local terms energy: -133.834610
where:
bonds (distance) C4'-P energy: -20.947
bonds (distance) P-C4' energy: -26.855
flat angles C4'-P-C4' energy: -28.850
flat angles P-C4'-P energy: -16.276
tors. eta vs tors. theta energy: -40.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -464.484215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.484215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.484215 (E_RNA)
where:
Base-Base interactions energy: -337.789
where: short stacking energy: -136.209
Base-Backbone interact. energy: -0.364
local terms energy: -136.331205
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -27.541
flat angles C4'-P-C4' energy: -30.657
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -43.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -449.385122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.385122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.385122 (E_RNA)
where:
Base-Base interactions energy: -328.181
where: short stacking energy: -134.502
Base-Backbone interact. energy: -0.208
local terms energy: -130.995537
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -14.305
flat angles C4'-P-C4' energy: -31.840
flat angles P-C4'-P energy: -23.268
tors. eta vs tors. theta energy: -42.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -442.906625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.906625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.906625 (E_RNA)
where:
Base-Base interactions energy: -317.569
where: short stacking energy: -132.084
Base-Backbone interact. energy: -0.480
local terms energy: -134.857330
where:
bonds (distance) C4'-P energy: -24.048
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -27.822
flat angles P-C4'-P energy: -19.345
tors. eta vs tors. theta energy: -41.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -285.429865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.429865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.429865 (E_RNA)
where:
Base-Base interactions energy: -183.781
where: short stacking energy: -91.273
Base-Backbone interact. energy: -0.092
local terms energy: -111.557210
where:
bonds (distance) C4'-P energy: -21.335
bonds (distance) P-C4' energy: -24.673
flat angles C4'-P-C4' energy: -27.014
flat angles P-C4'-P energy: -20.357
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -237.870949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.870949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.870949 (E_RNA)
where:
Base-Base interactions energy: -155.810
where: short stacking energy: -70.741
Base-Backbone interact. energy: -0.009
local terms energy: -92.051804
where:
bonds (distance) C4'-P energy: -23.628
bonds (distance) P-C4' energy: -21.738
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -499.422589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.422589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.422589 (E_RNA)
where:
Base-Base interactions energy: -348.775
where: short stacking energy: -143.928
Base-Backbone interact. energy: -0.003
local terms energy: -160.644041
where:
bonds (distance) C4'-P energy: -27.227
bonds (distance) P-C4' energy: -27.204
flat angles C4'-P-C4' energy: -32.693
flat angles P-C4'-P energy: -27.572
tors. eta vs tors. theta energy: -45.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -489.019504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.019504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.019504 (E_RNA)
where:
Base-Base interactions energy: -355.111
where: short stacking energy: -144.956
Base-Backbone interact. energy: -0.823
local terms energy: -143.085539
where:
bonds (distance) C4'-P energy: -28.106
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -26.837
flat angles P-C4'-P energy: -17.336
tors. eta vs tors. theta energy: -41.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -482.003527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.003527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.003527 (E_RNA)
where:
Base-Base interactions energy: -340.510
where: short stacking energy: -147.372
Base-Backbone interact. energy: -0.139
local terms energy: -151.354784
where:
bonds (distance) C4'-P energy: -25.254
bonds (distance) P-C4' energy: -31.286
flat angles C4'-P-C4' energy: -31.090
flat angles P-C4'-P energy: -19.781
tors. eta vs tors. theta energy: -43.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -475.983035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.983035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.983035 (E_RNA)
where:
Base-Base interactions energy: -342.659
where: short stacking energy: -144.218
Base-Backbone interact. energy: -0.364
local terms energy: -142.959514
where:
bonds (distance) C4'-P energy: -17.052
bonds (distance) P-C4' energy: -29.520
flat angles C4'-P-C4' energy: -30.021
flat angles P-C4'-P energy: -23.309
tors. eta vs tors. theta energy: -43.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -465.864018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.864018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.864018 (E_RNA)
where:
Base-Base interactions energy: -330.392
where: short stacking energy: -137.173
Base-Backbone interact. energy: -0.302
local terms energy: -145.169781
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -29.948
flat angles C4'-P-C4' energy: -28.650
flat angles P-C4'-P energy: -20.951
tors. eta vs tors. theta energy: -42.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -454.093040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.093040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.093040 (E_RNA)
where:
Base-Base interactions energy: -319.507
where: short stacking energy: -137.718
Base-Backbone interact. energy: -0.323
local terms energy: -144.262487
where:
bonds (distance) C4'-P energy: -21.919
bonds (distance) P-C4' energy: -27.984
flat angles C4'-P-C4' energy: -30.876
flat angles P-C4'-P energy: -20.854
tors. eta vs tors. theta energy: -42.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -436.159073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.159073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.159073 (E_RNA)
where:
Base-Base interactions energy: -325.324
where: short stacking energy: -133.023
Base-Backbone interact. energy: -0.197
local terms energy: -120.637757
where:
bonds (distance) C4'-P energy: -19.555
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -23.393
flat angles P-C4'-P energy: -20.512
tors. eta vs tors. theta energy: -36.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -422.100317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.100317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.100317 (E_RNA)
where:
Base-Base interactions energy: -301.794
where: short stacking energy: -118.322
Base-Backbone interact. energy: -0.687
local terms energy: -129.618883
where:
bonds (distance) C4'-P energy: -26.536
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -27.844
flat angles P-C4'-P energy: -23.728
tors. eta vs tors. theta energy: -33.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -247.294961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.294961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.294961 (E_RNA)
where:
Base-Base interactions energy: -168.688
where: short stacking energy: -84.094
Base-Backbone interact. energy: 0.758
local terms energy: -89.365128
where:
bonds (distance) C4'-P energy: -20.823
bonds (distance) P-C4' energy: -22.258
flat angles C4'-P-C4' energy: -19.929
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -13.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -234.872354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.872354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.872354 (E_RNA)
where:
Base-Base interactions energy: -150.036
where: short stacking energy: -71.822
Base-Backbone interact. energy: -0.944
local terms energy: -93.892246
where:
bonds (distance) C4'-P energy: -20.988
bonds (distance) P-C4' energy: -19.866
flat angles C4'-P-C4' energy: -27.118
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -11.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -503.323209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.323209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.323209 (E_RNA)
where:
Base-Base interactions energy: -355.213
where: short stacking energy: -150.671
Base-Backbone interact. energy: -0.047
local terms energy: -158.063128
where:
bonds (distance) C4'-P energy: -26.503
bonds (distance) P-C4' energy: -30.080
flat angles C4'-P-C4' energy: -30.513
flat angles P-C4'-P energy: -24.302
tors. eta vs tors. theta energy: -46.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -481.322994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.322994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.322994 (E_RNA)
where:
Base-Base interactions energy: -338.038
where: short stacking energy: -137.403
Base-Backbone interact. energy: -0.144
local terms energy: -153.141894
where:
bonds (distance) C4'-P energy: -29.637
bonds (distance) P-C4' energy: -27.094
flat angles C4'-P-C4' energy: -31.574
flat angles P-C4'-P energy: -21.638
tors. eta vs tors. theta energy: -43.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -492.702635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.702635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.702635 (E_RNA)
where:
Base-Base interactions energy: -360.261
where: short stacking energy: -139.848
Base-Backbone interact. energy: -0.724
local terms energy: -141.718007
where:
bonds (distance) C4'-P energy: -25.976
bonds (distance) P-C4' energy: -22.152
flat angles C4'-P-C4' energy: -30.353
flat angles P-C4'-P energy: -19.225
tors. eta vs tors. theta energy: -44.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -475.364599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.364599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.364599 (E_RNA)
where:
Base-Base interactions energy: -330.750
where: short stacking energy: -139.862
Base-Backbone interact. energy: -0.699
local terms energy: -153.915118
where:
bonds (distance) C4'-P energy: -28.195
bonds (distance) P-C4' energy: -28.087
flat angles C4'-P-C4' energy: -32.668
flat angles P-C4'-P energy: -20.522
tors. eta vs tors. theta energy: -44.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -460.908110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.908110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.908110 (E_RNA)
where:
Base-Base interactions energy: -325.022
where: short stacking energy: -137.816
Base-Backbone interact. energy: -0.015
local terms energy: -145.870693
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -26.433
flat angles C4'-P-C4' energy: -27.325
flat angles P-C4'-P energy: -22.697
tors. eta vs tors. theta energy: -46.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -450.192175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.192175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.192175 (E_RNA)
where:
Base-Base interactions energy: -319.948
where: short stacking energy: -134.145
Base-Backbone interact. energy: 0.255
local terms energy: -140.499412
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -26.640
flat angles C4'-P-C4' energy: -28.922
flat angles P-C4'-P energy: -23.189
tors. eta vs tors. theta energy: -41.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -415.257205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.257205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.257205 (E_RNA)
where:
Base-Base interactions energy: -291.529
where: short stacking energy: -128.032
Base-Backbone interact. energy: -0.011
local terms energy: -133.716966
where:
bonds (distance) C4'-P energy: -25.636
bonds (distance) P-C4' energy: -27.159
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -21.337
tors. eta vs tors. theta energy: -34.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -418.304902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.304902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.304902 (E_RNA)
where:
Base-Base interactions energy: -292.279
where: short stacking energy: -127.908
Base-Backbone interact. energy: -0.425
local terms energy: -135.601016
where:
bonds (distance) C4'-P energy: -24.478
bonds (distance) P-C4' energy: -25.594
flat angles C4'-P-C4' energy: -27.755
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -37.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -279.232101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.232101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.232101 (E_RNA)
where:
Base-Base interactions energy: -175.708
where: short stacking energy: -88.191
Base-Backbone interact. energy: 1.025
local terms energy: -114.549905
where:
bonds (distance) C4'-P energy: -19.608
bonds (distance) P-C4' energy: -28.326
flat angles C4'-P-C4' energy: -25.325
flat angles P-C4'-P energy: -19.918
tors. eta vs tors. theta energy: -21.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -220.547822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.547822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.547822 (E_RNA)
where:
Base-Base interactions energy: -137.851
where: short stacking energy: -73.688
Base-Backbone interact. energy: -0.720
local terms energy: -91.977211
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -25.621
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -10.874
tors. eta vs tors. theta energy: -16.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -484.760835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.760835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.760835 (E_RNA)
where:
Base-Base interactions energy: -352.677
where: short stacking energy: -144.105
Base-Backbone interact. energy: -0.428
local terms energy: -141.656148
where:
bonds (distance) C4'-P energy: -25.890
bonds (distance) P-C4' energy: -27.551
flat angles C4'-P-C4' energy: -27.450
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -44.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -485.851573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.851573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.851573 (E_RNA)
where:
Base-Base interactions energy: -352.592
where: short stacking energy: -149.224
Base-Backbone interact. energy: -0.028
local terms energy: -143.231400
where:
bonds (distance) C4'-P energy: -25.220
bonds (distance) P-C4' energy: -23.641
flat angles C4'-P-C4' energy: -29.662
flat angles P-C4'-P energy: -21.118
tors. eta vs tors. theta energy: -43.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -486.029933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.029933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.029933 (E_RNA)
where:
Base-Base interactions energy: -352.971
where: short stacking energy: -150.917
Base-Backbone interact. energy: -0.190
local terms energy: -142.869028
where:
bonds (distance) C4'-P energy: -23.856
bonds (distance) P-C4' energy: -27.183
flat angles C4'-P-C4' energy: -27.583
flat angles P-C4'-P energy: -19.840
tors. eta vs tors. theta energy: -44.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -499.252342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.252342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.252342 (E_RNA)
where:
Base-Base interactions energy: -354.601
where: short stacking energy: -144.006
Base-Backbone interact. energy: -0.174
local terms energy: -154.476730
where:
bonds (distance) C4'-P energy: -28.387
bonds (distance) P-C4' energy: -30.324
flat angles C4'-P-C4' energy: -30.015
flat angles P-C4'-P energy: -21.555
tors. eta vs tors. theta energy: -44.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -462.911372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.911372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.911372 (E_RNA)
where:
Base-Base interactions energy: -333.930
where: short stacking energy: -138.768
Base-Backbone interact. energy: -0.051
local terms energy: -138.929945
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -34.216
flat angles C4'-P-C4' energy: -27.420
flat angles P-C4'-P energy: -14.959
tors. eta vs tors. theta energy: -43.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -455.509937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.509937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.509937 (E_RNA)
where:
Base-Base interactions energy: -325.262
where: short stacking energy: -124.355
Base-Backbone interact. energy: -0.141
local terms energy: -140.106160
where:
bonds (distance) C4'-P energy: -24.478
bonds (distance) P-C4' energy: -31.961
flat angles C4'-P-C4' energy: -25.301
flat angles P-C4'-P energy: -16.898
tors. eta vs tors. theta energy: -41.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -422.351232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.351232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.351232 (E_RNA)
where:
Base-Base interactions energy: -314.301
where: short stacking energy: -126.902
Base-Backbone interact. energy: 0.077
local terms energy: -118.127570
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -25.295
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -38.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -438.050036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.050036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.050036 (E_RNA)
where:
Base-Base interactions energy: -329.291
where: short stacking energy: -141.337
Base-Backbone interact. energy: 1.235
local terms energy: -119.993560
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -29.418
flat angles P-C4'-P energy: -18.244
tors. eta vs tors. theta energy: -38.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -341.603947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.603947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.603947 (E_RNA)
where:
Base-Base interactions energy: -229.409
where: short stacking energy: -106.080
Base-Backbone interact. energy: -1.084
local terms energy: -121.111416
where:
bonds (distance) C4'-P energy: -25.868
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -29.511
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -27.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -225.770605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.770605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.770605 (E_RNA)
where:
Base-Base interactions energy: -143.325
where: short stacking energy: -75.574
Base-Backbone interact. energy: 0.085
local terms energy: -92.530447
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -19.823
flat angles P-C4'-P energy: -20.819
tors. eta vs tors. theta energy: -14.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -493.085841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.085841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.085841 (E_RNA)
where:
Base-Base interactions energy: -352.870
where: short stacking energy: -144.526
Base-Backbone interact. energy: -1.455
local terms energy: -148.760945
where:
bonds (distance) C4'-P energy: -28.966
bonds (distance) P-C4' energy: -26.831
flat angles C4'-P-C4' energy: -26.167
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -42.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -493.154734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.154734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.154734 (E_RNA)
where:
Base-Base interactions energy: -352.042
where: short stacking energy: -147.736
Base-Backbone interact. energy: -0.190
local terms energy: -150.922567
where:
bonds (distance) C4'-P energy: -29.631
bonds (distance) P-C4' energy: -27.409
flat angles C4'-P-C4' energy: -27.165
flat angles P-C4'-P energy: -23.967
tors. eta vs tors. theta energy: -42.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -479.603837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.603837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.603837 (E_RNA)
where:
Base-Base interactions energy: -339.910
where: short stacking energy: -148.103
Base-Backbone interact. energy: 0.533
local terms energy: -150.226517
where:
bonds (distance) C4'-P energy: -25.922
bonds (distance) P-C4' energy: -28.986
flat angles C4'-P-C4' energy: -28.370
flat angles P-C4'-P energy: -21.099
tors. eta vs tors. theta energy: -45.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -473.643294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.643294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.643294 (E_RNA)
where:
Base-Base interactions energy: -334.752
where: short stacking energy: -142.242
Base-Backbone interact. energy: -0.770
local terms energy: -148.121281
where:
bonds (distance) C4'-P energy: -25.009
bonds (distance) P-C4' energy: -31.362
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -20.287
tors. eta vs tors. theta energy: -44.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -458.339592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.339592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.339592 (E_RNA)
where:
Base-Base interactions energy: -332.840
where: short stacking energy: -132.519
Base-Backbone interact. energy: -0.399
local terms energy: -135.100919
where:
bonds (distance) C4'-P energy: -27.072
bonds (distance) P-C4' energy: -21.964
flat angles C4'-P-C4' energy: -27.251
flat angles P-C4'-P energy: -21.552
tors. eta vs tors. theta energy: -37.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -458.176141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.176141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.176141 (E_RNA)
where:
Base-Base interactions energy: -328.331
where: short stacking energy: -129.592
Base-Backbone interact. energy: -0.339
local terms energy: -139.506450
where:
bonds (distance) C4'-P energy: -26.322
bonds (distance) P-C4' energy: -23.848
flat angles C4'-P-C4' energy: -33.689
flat angles P-C4'-P energy: -17.678
tors. eta vs tors. theta energy: -37.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -448.150836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.150836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.150836 (E_RNA)
where:
Base-Base interactions energy: -315.159
where: short stacking energy: -133.715
Base-Backbone interact. energy: 1.923
local terms energy: -144.915183
where:
bonds (distance) C4'-P energy: -26.731
bonds (distance) P-C4' energy: -21.558
flat angles C4'-P-C4' energy: -32.906
flat angles P-C4'-P energy: -19.922
tors. eta vs tors. theta energy: -43.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -433.026349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.026349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.026349 (E_RNA)
where:
Base-Base interactions energy: -310.409
where: short stacking energy: -122.747
Base-Backbone interact. energy: -0.765
local terms energy: -131.852518
where:
bonds (distance) C4'-P energy: -18.305
bonds (distance) P-C4' energy: -25.700
flat angles C4'-P-C4' energy: -27.906
flat angles P-C4'-P energy: -20.568
tors. eta vs tors. theta energy: -39.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -329.567745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.567745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.567745 (E_RNA)
where:
Base-Base interactions energy: -236.317
where: short stacking energy: -100.596
Base-Backbone interact. energy: -0.956
local terms energy: -102.294502
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -27.212
flat angles C4'-P-C4' energy: -23.836
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -23.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -214.984404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.984404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.984404 (E_RNA)
where:
Base-Base interactions energy: -143.993
where: short stacking energy: -74.306
Base-Backbone interact. energy: -0.113
local terms energy: -80.878076
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -15.188
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -9.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -500.823904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.823904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.823904 (E_RNA)
where:
Base-Base interactions energy: -353.504
where: short stacking energy: -145.382
Base-Backbone interact. energy: -0.556
local terms energy: -156.764194
where:
bonds (distance) C4'-P energy: -31.989
bonds (distance) P-C4' energy: -28.134
flat angles C4'-P-C4' energy: -32.009
flat angles P-C4'-P energy: -21.044
tors. eta vs tors. theta energy: -43.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -489.940508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.940508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.940508 (E_RNA)
where:
Base-Base interactions energy: -338.698
where: short stacking energy: -151.711
Base-Backbone interact. energy: -0.024
local terms energy: -161.217602
where:
bonds (distance) C4'-P energy: -27.659
bonds (distance) P-C4' energy: -30.799
flat angles C4'-P-C4' energy: -33.117
flat angles P-C4'-P energy: -24.637
tors. eta vs tors. theta energy: -45.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -478.579433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.579433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.579433 (E_RNA)
where:
Base-Base interactions energy: -343.468
where: short stacking energy: -143.172
Base-Backbone interact. energy: -0.339
local terms energy: -144.772114
where:
bonds (distance) C4'-P energy: -27.023
bonds (distance) P-C4' energy: -19.984
flat angles C4'-P-C4' energy: -29.643
flat angles P-C4'-P energy: -24.526
tors. eta vs tors. theta energy: -43.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -466.826409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.826409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.826409 (E_RNA)
where:
Base-Base interactions energy: -330.935
where: short stacking energy: -134.032
Base-Backbone interact. energy: -0.134
local terms energy: -145.757873
where:
bonds (distance) C4'-P energy: -26.399
bonds (distance) P-C4' energy: -29.351
flat angles C4'-P-C4' energy: -27.677
flat angles P-C4'-P energy: -16.422
tors. eta vs tors. theta energy: -45.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -463.598016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.598016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.598016 (E_RNA)
where:
Base-Base interactions energy: -328.932
where: short stacking energy: -140.058
Base-Backbone interact. energy: -1.271
local terms energy: -143.394560
where:
bonds (distance) C4'-P energy: -24.334
bonds (distance) P-C4' energy: -28.506
flat angles C4'-P-C4' energy: -28.919
flat angles P-C4'-P energy: -19.150
tors. eta vs tors. theta energy: -42.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -453.794548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.794548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.794548 (E_RNA)
where:
Base-Base interactions energy: -328.766
where: short stacking energy: -133.469
Base-Backbone interact. energy: -0.196
local terms energy: -134.831883
where:
bonds (distance) C4'-P energy: -23.968
bonds (distance) P-C4' energy: -24.393
flat angles C4'-P-C4' energy: -26.516
flat angles P-C4'-P energy: -21.038
tors. eta vs tors. theta energy: -38.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -420.456207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.456207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.456207 (E_RNA)
where:
Base-Base interactions energy: -302.837
where: short stacking energy: -129.059
Base-Backbone interact. energy: 0.424
local terms energy: -128.042657
where:
bonds (distance) C4'-P energy: -27.324
bonds (distance) P-C4' energy: -21.400
flat angles C4'-P-C4' energy: -24.567
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -36.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -444.788574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.788574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.788574 (E_RNA)
where:
Base-Base interactions energy: -318.484
where: short stacking energy: -135.004
Base-Backbone interact. energy: -0.003
local terms energy: -136.301290
where:
bonds (distance) C4'-P energy: -18.055
bonds (distance) P-C4' energy: -27.943
flat angles C4'-P-C4' energy: -27.213
flat angles P-C4'-P energy: -20.909
tors. eta vs tors. theta energy: -42.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -214.057100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.057100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.057100 (E_RNA)
where:
Base-Base interactions energy: -137.793
where: short stacking energy: -67.986
Base-Backbone interact. energy: 1.584
local terms energy: -87.848521
where:
bonds (distance) C4'-P energy: -21.269
bonds (distance) P-C4' energy: -25.273
flat angles C4'-P-C4' energy: -24.026
flat angles P-C4'-P energy: -5.172
tors. eta vs tors. theta energy: -12.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -283.872457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.872457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.872457 (E_RNA)
where:
Base-Base interactions energy: -203.837
where: short stacking energy: -85.766
Base-Backbone interact. energy: -0.436
local terms energy: -89.600113
where:
bonds (distance) C4'-P energy: -13.792
bonds (distance) P-C4' energy: -22.620
flat angles C4'-P-C4' energy: -23.560
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -488.554862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.554862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.554862 (E_RNA)
where:
Base-Base interactions energy: -350.794
where: short stacking energy: -143.480
Base-Backbone interact. energy: -0.785
local terms energy: -146.975886
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -27.220
flat angles C4'-P-C4' energy: -29.953
flat angles P-C4'-P energy: -20.614
tors. eta vs tors. theta energy: -44.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -489.903839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.903839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.903839 (E_RNA)
where:
Base-Base interactions energy: -351.564
where: short stacking energy: -145.783
Base-Backbone interact. energy: -0.002
local terms energy: -148.337454
where:
bonds (distance) C4'-P energy: -26.731
bonds (distance) P-C4' energy: -25.696
flat angles C4'-P-C4' energy: -30.778
flat angles P-C4'-P energy: -22.638
tors. eta vs tors. theta energy: -42.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -481.410948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.410948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.410948 (E_RNA)
where:
Base-Base interactions energy: -331.741
where: short stacking energy: -142.724
Base-Backbone interact. energy: -0.010
local terms energy: -159.659792
where:
bonds (distance) C4'-P energy: -31.078
bonds (distance) P-C4' energy: -28.563
flat angles C4'-P-C4' energy: -29.957
flat angles P-C4'-P energy: -24.078
tors. eta vs tors. theta energy: -45.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -463.830450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.830450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.830450 (E_RNA)
where:
Base-Base interactions energy: -338.944
where: short stacking energy: -138.490
Base-Backbone interact. energy: -0.345
local terms energy: -134.541230
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -24.848
flat angles C4'-P-C4' energy: -32.451
flat angles P-C4'-P energy: -17.857
tors. eta vs tors. theta energy: -41.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -483.883807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.883807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.883807 (E_RNA)
where:
Base-Base interactions energy: -344.842
where: short stacking energy: -144.583
Base-Backbone interact. energy: -0.287
local terms energy: -148.753980
where:
bonds (distance) C4'-P energy: -25.562
bonds (distance) P-C4' energy: -27.216
flat angles C4'-P-C4' energy: -32.351
flat angles P-C4'-P energy: -22.931
tors. eta vs tors. theta energy: -40.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -453.532583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.532583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.532583 (E_RNA)
where:
Base-Base interactions energy: -327.965
where: short stacking energy: -137.317
Base-Backbone interact. energy: -0.250
local terms energy: -135.316885
where:
bonds (distance) C4'-P energy: -21.776
bonds (distance) P-C4' energy: -25.702
flat angles C4'-P-C4' energy: -25.873
flat angles P-C4'-P energy: -22.303
tors. eta vs tors. theta energy: -39.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -454.116553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.116553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.116553 (E_RNA)
where:
Base-Base interactions energy: -328.772
where: short stacking energy: -141.337
Base-Backbone interact. energy: 0.443
local terms energy: -135.787927
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -25.288
flat angles C4'-P-C4' energy: -26.872
flat angles P-C4'-P energy: -18.299
tors. eta vs tors. theta energy: -45.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -430.629714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.629714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.629714 (E_RNA)
where:
Base-Base interactions energy: -300.304
where: short stacking energy: -126.510
Base-Backbone interact. energy: -0.053
local terms energy: -140.272874
where:
bonds (distance) C4'-P energy: -22.418
bonds (distance) P-C4' energy: -26.658
flat angles C4'-P-C4' energy: -24.434
flat angles P-C4'-P energy: -23.947
tors. eta vs tors. theta energy: -42.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -227.157859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.157859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.157859 (E_RNA)
where:
Base-Base interactions energy: -161.363
where: short stacking energy: -66.534
Base-Backbone interact. energy: -0.669
local terms energy: -75.126712
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -23.440
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -15.998
tors. eta vs tors. theta energy: -8.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -285.938400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.938400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.938400 (E_RNA)
where:
Base-Base interactions energy: -195.325
where: short stacking energy: -95.276
Base-Backbone interact. energy: -0.374
local terms energy: -100.238902
where:
bonds (distance) C4'-P energy: -27.313
bonds (distance) P-C4' energy: -16.985
flat angles C4'-P-C4' energy: -20.834
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -24.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -498.547930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.547930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.547930 (E_RNA)
where:
Base-Base interactions energy: -354.016
where: short stacking energy: -150.616
Base-Backbone interact. energy: -0.962
local terms energy: -153.569249
where:
bonds (distance) C4'-P energy: -28.991
bonds (distance) P-C4' energy: -29.192
flat angles C4'-P-C4' energy: -29.634
flat angles P-C4'-P energy: -21.987
tors. eta vs tors. theta energy: -43.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -492.834440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.834440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.834440 (E_RNA)
where:
Base-Base interactions energy: -346.589
where: short stacking energy: -142.639
Base-Backbone interact. energy: 0.595
local terms energy: -156.839831
where:
bonds (distance) C4'-P energy: -27.996
bonds (distance) P-C4' energy: -30.508
flat angles C4'-P-C4' energy: -29.157
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: -45.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -479.613479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.613479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.613479 (E_RNA)
where:
Base-Base interactions energy: -341.179
where: short stacking energy: -150.802
Base-Backbone interact. energy: -0.008
local terms energy: -148.426775
where:
bonds (distance) C4'-P energy: -30.039
bonds (distance) P-C4' energy: -26.583
flat angles C4'-P-C4' energy: -29.148
flat angles P-C4'-P energy: -19.341
tors. eta vs tors. theta energy: -43.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -479.795856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.795856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.795856 (E_RNA)
where:
Base-Base interactions energy: -346.418
where: short stacking energy: -147.491
Base-Backbone interact. energy: -0.103
local terms energy: -143.275551
where:
bonds (distance) C4'-P energy: -23.848
bonds (distance) P-C4' energy: -24.228
flat angles C4'-P-C4' energy: -31.377
flat angles P-C4'-P energy: -20.035
tors. eta vs tors. theta energy: -43.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -468.643603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.643603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.643603 (E_RNA)
where:
Base-Base interactions energy: -339.743
where: short stacking energy: -136.615
Base-Backbone interact. energy: -0.001
local terms energy: -138.900007
where:
bonds (distance) C4'-P energy: -28.067
bonds (distance) P-C4' energy: -24.173
flat angles C4'-P-C4' energy: -26.682
flat angles P-C4'-P energy: -21.544
tors. eta vs tors. theta energy: -38.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -447.255331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.255331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.255331 (E_RNA)
where:
Base-Base interactions energy: -317.389
where: short stacking energy: -138.149
Base-Backbone interact. energy: -0.481
local terms energy: -139.385362
where:
bonds (distance) C4'-P energy: -27.952
bonds (distance) P-C4' energy: -22.490
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -21.601
tors. eta vs tors. theta energy: -37.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -428.184067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.184067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.184067 (E_RNA)
where:
Base-Base interactions energy: -299.966
where: short stacking energy: -128.534
Base-Backbone interact. energy: -0.438
local terms energy: -137.779968
where:
bonds (distance) C4'-P energy: -25.768
bonds (distance) P-C4' energy: -27.451
flat angles C4'-P-C4' energy: -26.978
flat angles P-C4'-P energy: -17.725
tors. eta vs tors. theta energy: -39.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -413.745539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.745539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.745539 (E_RNA)
where:
Base-Base interactions energy: -300.405
where: short stacking energy: -130.581
Base-Backbone interact. energy: -0.006
local terms energy: -123.334739
where:
bonds (distance) C4'-P energy: -23.221
bonds (distance) P-C4' energy: -22.174
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -19.680
tors. eta vs tors. theta energy: -38.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -316.636844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.636844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.636844 (E_RNA)
where:
Base-Base interactions energy: -204.298
where: short stacking energy: -97.039
Base-Backbone interact. energy: -0.136
local terms energy: -122.202370
where:
bonds (distance) C4'-P energy: -27.181
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -32.350
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -27.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -227.212932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.212932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.212932 (E_RNA)
where:
Base-Base interactions energy: -135.761
where: short stacking energy: -62.078
Base-Backbone interact. energy: 2.690
local terms energy: -104.142550
where:
bonds (distance) C4'-P energy: -18.964
bonds (distance) P-C4' energy: -27.814
flat angles C4'-P-C4' energy: -27.050
flat angles P-C4'-P energy: -20.259
tors. eta vs tors. theta energy: -10.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -497.284465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.284465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.284465 (E_RNA)
where:
Base-Base interactions energy: -354.281
where: short stacking energy: -149.781
Base-Backbone interact. energy: -0.010
local terms energy: -152.993193
where:
bonds (distance) C4'-P energy: -25.183
bonds (distance) P-C4' energy: -28.048
flat angles C4'-P-C4' energy: -31.127
flat angles P-C4'-P energy: -23.934
tors. eta vs tors. theta energy: -44.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -491.903584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.903584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.903584 (E_RNA)
where:
Base-Base interactions energy: -348.789
where: short stacking energy: -145.857
Base-Backbone interact. energy: -0.569
local terms energy: -152.545030
where:
bonds (distance) C4'-P energy: -26.627
bonds (distance) P-C4' energy: -28.175
flat angles C4'-P-C4' energy: -30.010
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -45.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -483.067774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.067774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.067774 (E_RNA)
where:
Base-Base interactions energy: -336.889
where: short stacking energy: -143.109
Base-Backbone interact. energy: -0.298
local terms energy: -155.880179
where:
bonds (distance) C4'-P energy: -24.848
bonds (distance) P-C4' energy: -33.708
flat angles C4'-P-C4' energy: -31.736
flat angles P-C4'-P energy: -18.956
tors. eta vs tors. theta energy: -46.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -477.103523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.103523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.103523 (E_RNA)
where:
Base-Base interactions energy: -342.110
where: short stacking energy: -146.158
Base-Backbone interact. energy: -0.608
local terms energy: -144.384833
where:
bonds (distance) C4'-P energy: -23.507
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -31.172
flat angles P-C4'-P energy: -20.757
tors. eta vs tors. theta energy: -43.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -464.287862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.287862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.287862 (E_RNA)
where:
Base-Base interactions energy: -334.447
where: short stacking energy: -140.426
Base-Backbone interact. energy: -0.185
local terms energy: -139.656347
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -26.291
flat angles C4'-P-C4' energy: -32.450
flat angles P-C4'-P energy: -21.973
tors. eta vs tors. theta energy: -44.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -442.195876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.195876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.195876 (E_RNA)
where:
Base-Base interactions energy: -318.625
where: short stacking energy: -133.315
Base-Backbone interact. energy: -0.590
local terms energy: -132.980988
where:
bonds (distance) C4'-P energy: -22.897
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -30.064
flat angles P-C4'-P energy: -19.871
tors. eta vs tors. theta energy: -38.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -445.430808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.430808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.430808 (E_RNA)
where:
Base-Base interactions energy: -329.944
where: short stacking energy: -132.696
Base-Backbone interact. energy: -0.002
local terms energy: -125.484343
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -26.519
flat angles P-C4'-P energy: -21.465
tors. eta vs tors. theta energy: -38.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -391.073400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.073400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.073400 (E_RNA)
where:
Base-Base interactions energy: -290.082
where: short stacking energy: -116.121
Base-Backbone interact. energy: -0.382
local terms energy: -110.609895
where:
bonds (distance) C4'-P energy: -28.586
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -31.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -268.469829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.469829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.469829 (E_RNA)
where:
Base-Base interactions energy: -175.880
where: short stacking energy: -84.567
Base-Backbone interact. energy: -0.253
local terms energy: -102.337156
where:
bonds (distance) C4'-P energy: -21.333
bonds (distance) P-C4' energy: -22.477
flat angles C4'-P-C4' energy: -26.812
flat angles P-C4'-P energy: -16.984
tors. eta vs tors. theta energy: -14.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -249.191106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.191106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.191106 (E_RNA)
where:
Base-Base interactions energy: -162.377
where: short stacking energy: -78.928
Base-Backbone interact. energy: -2.276
local terms energy: -94.538189
where:
bonds (distance) C4'-P energy: -26.631
bonds (distance) P-C4' energy: -22.058
flat angles C4'-P-C4' energy: -23.868
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -15.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -501.958456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.958456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.958456 (E_RNA)
where:
Base-Base interactions energy: -354.534
where: short stacking energy: -152.599
Base-Backbone interact. energy: -0.689
local terms energy: -156.735512
where:
bonds (distance) C4'-P energy: -27.128
bonds (distance) P-C4' energy: -28.481
flat angles C4'-P-C4' energy: -31.057
flat angles P-C4'-P energy: -24.511
tors. eta vs tors. theta energy: -45.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -491.286196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.286196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.286196 (E_RNA)
where:
Base-Base interactions energy: -350.639
where: short stacking energy: -144.720
Base-Backbone interact. energy: 0.224
local terms energy: -150.870780
where:
bonds (distance) C4'-P energy: -26.887
bonds (distance) P-C4' energy: -23.229
flat angles C4'-P-C4' energy: -31.408
flat angles P-C4'-P energy: -24.842
tors. eta vs tors. theta energy: -44.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -481.172746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.172746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.172746 (E_RNA)
where:
Base-Base interactions energy: -347.550
where: short stacking energy: -145.186
Base-Backbone interact. energy: -0.303
local terms energy: -143.318876
where:
bonds (distance) C4'-P energy: -20.740
bonds (distance) P-C4' energy: -28.440
flat angles C4'-P-C4' energy: -28.458
flat angles P-C4'-P energy: -19.139
tors. eta vs tors. theta energy: -46.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -475.493548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.493548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.493548 (E_RNA)
where:
Base-Base interactions energy: -350.989
where: short stacking energy: -146.322
Base-Backbone interact. energy: -0.418
local terms energy: -134.086673
where:
bonds (distance) C4'-P energy: -25.053
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -31.488
flat angles P-C4'-P energy: -17.690
tors. eta vs tors. theta energy: -44.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -462.416361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.416361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.416361 (E_RNA)
where:
Base-Base interactions energy: -343.262
where: short stacking energy: -141.943
Base-Backbone interact. energy: -0.118
local terms energy: -129.036407
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -28.339
flat angles P-C4'-P energy: -17.709
tors. eta vs tors. theta energy: -40.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -447.643519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.643519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.643519 (E_RNA)
where:
Base-Base interactions energy: -325.220
where: short stacking energy: -136.173
Base-Backbone interact. energy: -0.666
local terms energy: -131.757629
where:
bonds (distance) C4'-P energy: -24.923
bonds (distance) P-C4' energy: -23.028
flat angles C4'-P-C4' energy: -27.742
flat angles P-C4'-P energy: -19.995
tors. eta vs tors. theta energy: -36.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -429.734116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.734116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.734116 (E_RNA)
where:
Base-Base interactions energy: -310.942
where: short stacking energy: -138.056
Base-Backbone interact. energy: -0.758
local terms energy: -128.034375
where:
bonds (distance) C4'-P energy: -19.616
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -30.159
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: -40.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -423.712462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.712462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.712462 (E_RNA)
where:
Base-Base interactions energy: -304.276
where: short stacking energy: -126.766
Base-Backbone interact. energy: -0.032
local terms energy: -129.404626
where:
bonds (distance) C4'-P energy: -21.317
bonds (distance) P-C4' energy: -23.841
flat angles C4'-P-C4' energy: -27.192
flat angles P-C4'-P energy: -20.616
tors. eta vs tors. theta energy: -36.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -268.020584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.020584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.020584 (E_RNA)
where:
Base-Base interactions energy: -182.042
where: short stacking energy: -77.401
Base-Backbone interact. energy: 0.803
local terms energy: -96.781023
where:
bonds (distance) C4'-P energy: -27.339
bonds (distance) P-C4' energy: -24.461
flat angles C4'-P-C4' energy: -24.163
flat angles P-C4'-P energy: -2.333
tors. eta vs tors. theta energy: -18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -203.752831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.752831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.752831 (E_RNA)
where:
Base-Base interactions energy: -129.828
where: short stacking energy: -65.630
Base-Backbone interact. energy: -0.284
local terms energy: -83.641048
where:
bonds (distance) C4'-P energy: -22.614
bonds (distance) P-C4' energy: -11.178
flat angles C4'-P-C4' energy: -23.084
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -12.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -502.727473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.727473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.727473 (E_RNA)
where:
Base-Base interactions energy: -355.489
where: short stacking energy: -154.178
Base-Backbone interact. energy: -0.584
local terms energy: -156.653996
where:
bonds (distance) C4'-P energy: -21.696
bonds (distance) P-C4' energy: -30.239
flat angles C4'-P-C4' energy: -31.146
flat angles P-C4'-P energy: -26.468
tors. eta vs tors. theta energy: -47.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -500.535832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.535832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.535832 (E_RNA)
where:
Base-Base interactions energy: -354.406
where: short stacking energy: -152.242
Base-Backbone interact. energy: -1.064
local terms energy: -155.065994
where:
bonds (distance) C4'-P energy: -29.115
bonds (distance) P-C4' energy: -29.953
flat angles C4'-P-C4' energy: -28.261
flat angles P-C4'-P energy: -24.471
tors. eta vs tors. theta energy: -43.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -478.505535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.505535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.505535 (E_RNA)
where:
Base-Base interactions energy: -336.923
where: short stacking energy: -147.885
Base-Backbone interact. energy: -0.039
local terms energy: -151.543529
where:
bonds (distance) C4'-P energy: -30.192
bonds (distance) P-C4' energy: -26.226
flat angles C4'-P-C4' energy: -32.358
flat angles P-C4'-P energy: -19.508
tors. eta vs tors. theta energy: -43.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -471.619692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.619692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.619692 (E_RNA)
where:
Base-Base interactions energy: -336.994
where: short stacking energy: -139.769
Base-Backbone interact. energy: -0.508
local terms energy: -144.118117
where:
bonds (distance) C4'-P energy: -22.581
bonds (distance) P-C4' energy: -26.514
flat angles C4'-P-C4' energy: -29.407
flat angles P-C4'-P energy: -22.038
tors. eta vs tors. theta energy: -43.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -453.524899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.524899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.524899 (E_RNA)
where:
Base-Base interactions energy: -328.630
where: short stacking energy: -138.096
Base-Backbone interact. energy: -0.003
local terms energy: -134.891534
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -24.842
flat angles C4'-P-C4' energy: -31.351
flat angles P-C4'-P energy: -19.146
tors. eta vs tors. theta energy: -39.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -442.661616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.661616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.661616 (E_RNA)
where:
Base-Base interactions energy: -318.981
where: short stacking energy: -130.204
Base-Backbone interact. energy: 0.996
local terms energy: -134.676312
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -27.443
flat angles P-C4'-P energy: -19.826
tors. eta vs tors. theta energy: -39.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -427.420445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.420445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.420445 (E_RNA)
where:
Base-Base interactions energy: -310.318
where: short stacking energy: -130.535
Base-Backbone interact. energy: -0.226
local terms energy: -126.876583
where:
bonds (distance) C4'-P energy: -22.310
bonds (distance) P-C4' energy: -24.169
flat angles C4'-P-C4' energy: -25.372
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -39.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -440.812328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.812328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.812328 (E_RNA)
where:
Base-Base interactions energy: -318.580
where: short stacking energy: -136.051
Base-Backbone interact. energy: -0.009
local terms energy: -132.223669
where:
bonds (distance) C4'-P energy: -26.052
bonds (distance) P-C4' energy: -22.702
flat angles C4'-P-C4' energy: -25.407
flat angles P-C4'-P energy: -17.057
tors. eta vs tors. theta energy: -41.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -260.219254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.219254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.219254 (E_RNA)
where:
Base-Base interactions energy: -169.927
where: short stacking energy: -84.274
Base-Backbone interact. energy: -0.336
local terms energy: -99.956554
where:
bonds (distance) C4'-P energy: -24.854
bonds (distance) P-C4' energy: -24.613
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -15.808
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -208.350162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.350162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.350162 (E_RNA)
where:
Base-Base interactions energy: -123.334
where: short stacking energy: -54.151
Base-Backbone interact. energy: -0.187
local terms energy: -94.829031
where:
bonds (distance) C4'-P energy: -26.341
bonds (distance) P-C4' energy: -26.868
flat angles C4'-P-C4' energy: -16.155
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -12.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -494.543029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.543029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.543029 (E_RNA)
where:
Base-Base interactions energy: -348.667
where: short stacking energy: -146.370
Base-Backbone interact. energy: -0.102
local terms energy: -155.773296
where:
bonds (distance) C4'-P energy: -28.434
bonds (distance) P-C4' energy: -29.023
flat angles C4'-P-C4' energy: -31.095
flat angles P-C4'-P energy: -20.698
tors. eta vs tors. theta energy: -46.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -496.232778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.232778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.232778 (E_RNA)
where:
Base-Base interactions energy: -364.684
where: short stacking energy: -158.839
Base-Backbone interact. energy: -0.326
local terms energy: -141.221896
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -31.075
flat angles P-C4'-P energy: -22.837
tors. eta vs tors. theta energy: -48.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -476.212017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.212017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.212017 (E_RNA)
where:
Base-Base interactions energy: -342.255
where: short stacking energy: -145.009
Base-Backbone interact. energy: 0.789
local terms energy: -144.745999
where:
bonds (distance) C4'-P energy: -28.392
bonds (distance) P-C4' energy: -22.243
flat angles C4'-P-C4' energy: -28.323
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -44.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -471.141704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.141704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.141704 (E_RNA)
where:
Base-Base interactions energy: -339.011
where: short stacking energy: -144.073
Base-Backbone interact. energy: -0.002
local terms energy: -142.128439
where:
bonds (distance) C4'-P energy: -23.728
bonds (distance) P-C4' energy: -24.797
flat angles C4'-P-C4' energy: -30.471
flat angles P-C4'-P energy: -18.785
tors. eta vs tors. theta energy: -44.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -464.589165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.589165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.589165 (E_RNA)
where:
Base-Base interactions energy: -330.227
where: short stacking energy: -135.631
Base-Backbone interact. energy: -0.619
local terms energy: -143.742935
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -27.522
flat angles C4'-P-C4' energy: -29.077
flat angles P-C4'-P energy: -21.274
tors. eta vs tors. theta energy: -45.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -450.685229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.685229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.685229 (E_RNA)
where:
Base-Base interactions energy: -329.699
where: short stacking energy: -134.501
Base-Backbone interact. energy: -0.004
local terms energy: -130.982333
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -21.625
flat angles C4'-P-C4' energy: -32.191
flat angles P-C4'-P energy: -19.867
tors. eta vs tors. theta energy: -40.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -448.055154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.055154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.055154 (E_RNA)
where:
Base-Base interactions energy: -321.788
where: short stacking energy: -134.201
Base-Backbone interact. energy: 0.879
local terms energy: -137.145952
where:
bonds (distance) C4'-P energy: -25.527
bonds (distance) P-C4' energy: -29.003
flat angles C4'-P-C4' energy: -26.207
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -43.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -442.454656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.454656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.454656 (E_RNA)
where:
Base-Base interactions energy: -315.495
where: short stacking energy: -135.946
Base-Backbone interact. energy: -0.117
local terms energy: -136.842273
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -25.393
flat angles C4'-P-C4' energy: -29.776
flat angles P-C4'-P energy: -18.347
tors. eta vs tors. theta energy: -42.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -255.995576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.995576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.995576 (E_RNA)
where:
Base-Base interactions energy: -173.231
where: short stacking energy: -76.224
Base-Backbone interact. energy: -0.428
local terms energy: -92.336398
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -20.655
flat angles C4'-P-C4' energy: -22.813
flat angles P-C4'-P energy: -21.511
tors. eta vs tors. theta energy: -10.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -213.871252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.871252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.871252 (E_RNA)
where:
Base-Base interactions energy: -133.136
where: short stacking energy: -56.921
Base-Backbone interact. energy: 0.858
local terms energy: -91.592655
where:
bonds (distance) C4'-P energy: -23.213
bonds (distance) P-C4' energy: -21.217
flat angles C4'-P-C4' energy: -24.901
flat angles P-C4'-P energy: -14.498
tors. eta vs tors. theta energy: -7.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -497.347487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.347487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.347487 (E_RNA)
where:
Base-Base interactions energy: -357.664
where: short stacking energy: -156.061
Base-Backbone interact. energy: -0.297
local terms energy: -149.386561
where:
bonds (distance) C4'-P energy: -30.676
bonds (distance) P-C4' energy: -26.471
flat angles C4'-P-C4' energy: -26.742
flat angles P-C4'-P energy: -20.962
tors. eta vs tors. theta energy: -44.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -492.998852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.998852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.998852 (E_RNA)
where:
Base-Base interactions energy: -352.698
where: short stacking energy: -155.232
Base-Backbone interact. energy: -0.060
local terms energy: -150.240809
where:
bonds (distance) C4'-P energy: -23.674
bonds (distance) P-C4' energy: -27.333
flat angles C4'-P-C4' energy: -29.162
flat angles P-C4'-P energy: -22.549
tors. eta vs tors. theta energy: -47.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -482.486288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.486288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.486288 (E_RNA)
where:
Base-Base interactions energy: -339.621
where: short stacking energy: -146.780
Base-Backbone interact. energy: -0.002
local terms energy: -152.863716
where:
bonds (distance) C4'-P energy: -24.765
bonds (distance) P-C4' energy: -29.659
flat angles C4'-P-C4' energy: -28.284
flat angles P-C4'-P energy: -23.605
tors. eta vs tors. theta energy: -46.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -471.963281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.963281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.963281 (E_RNA)
where:
Base-Base interactions energy: -333.588
where: short stacking energy: -131.956
Base-Backbone interact. energy: -0.456
local terms energy: -147.919189
where:
bonds (distance) C4'-P energy: -28.584
bonds (distance) P-C4' energy: -27.174
flat angles C4'-P-C4' energy: -30.193
flat angles P-C4'-P energy: -21.191
tors. eta vs tors. theta energy: -40.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -470.343147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.343147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.343147 (E_RNA)
where:
Base-Base interactions energy: -340.497
where: short stacking energy: -145.653
Base-Backbone interact. energy: -0.086
local terms energy: -139.760631
where:
bonds (distance) C4'-P energy: -28.988
bonds (distance) P-C4' energy: -25.488
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -43.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -448.114338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.114338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.114338 (E_RNA)
where:
Base-Base interactions energy: -319.807
where: short stacking energy: -137.996
Base-Backbone interact. energy: -0.333
local terms energy: -137.974666
where:
bonds (distance) C4'-P energy: -23.403
bonds (distance) P-C4' energy: -24.259
flat angles C4'-P-C4' energy: -27.428
flat angles P-C4'-P energy: -22.005
tors. eta vs tors. theta energy: -40.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -460.206479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.206479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.206479 (E_RNA)
where:
Base-Base interactions energy: -332.580
where: short stacking energy: -142.059
Base-Backbone interact. energy: -0.254
local terms energy: -137.371997
where:
bonds (distance) C4'-P energy: -23.855
bonds (distance) P-C4' energy: -21.170
flat angles C4'-P-C4' energy: -28.396
flat angles P-C4'-P energy: -21.044
tors. eta vs tors. theta energy: -42.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -437.229883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.229883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.229883 (E_RNA)
where:
Base-Base interactions energy: -312.780
where: short stacking energy: -134.644
Base-Backbone interact. energy: 0.203
local terms energy: -134.652739
where:
bonds (distance) C4'-P energy: -24.676
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -29.428
flat angles P-C4'-P energy: -18.854
tors. eta vs tors. theta energy: -40.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -221.681088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.681088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.681088 (E_RNA)
where:
Base-Base interactions energy: -142.706
where: short stacking energy: -72.772
Base-Backbone interact. energy: 0.458
local terms energy: -89.433887
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -25.364
flat angles C4'-P-C4' energy: -25.204
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -13.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -247.678429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.678429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.678429 (E_RNA)
where:
Base-Base interactions energy: -169.710
where: short stacking energy: -68.859
Base-Backbone interact. energy: 0.668
local terms energy: -88.636704
where:
bonds (distance) C4'-P energy: -23.514
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -11.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -504.219320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.219320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.219320 (E_RNA)
where:
Base-Base interactions energy: -356.672
where: short stacking energy: -155.080
Base-Backbone interact. energy: -0.219
local terms energy: -157.327644
where:
bonds (distance) C4'-P energy: -28.307
bonds (distance) P-C4' energy: -26.976
flat angles C4'-P-C4' energy: -31.091
flat angles P-C4'-P energy: -24.142
tors. eta vs tors. theta energy: -46.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -492.174597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.174597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.174597 (E_RNA)
where:
Base-Base interactions energy: -351.733
where: short stacking energy: -153.349
Base-Backbone interact. energy: -0.190
local terms energy: -150.250901
where:
bonds (distance) C4'-P energy: -25.682
bonds (distance) P-C4' energy: -31.141
flat angles C4'-P-C4' energy: -29.591
flat angles P-C4'-P energy: -16.121
tors. eta vs tors. theta energy: -47.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -480.771781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.771781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.771781 (E_RNA)
where:
Base-Base interactions energy: -345.316
where: short stacking energy: -144.602
Base-Backbone interact. energy: -0.018
local terms energy: -145.437245
where:
bonds (distance) C4'-P energy: -25.442
bonds (distance) P-C4' energy: -28.416
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -19.501
tors. eta vs tors. theta energy: -41.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -483.799972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.799972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.799972 (E_RNA)
where:
Base-Base interactions energy: -348.604
where: short stacking energy: -144.364
Base-Backbone interact. energy: -0.001
local terms energy: -145.194932
where:
bonds (distance) C4'-P energy: -28.343
bonds (distance) P-C4' energy: -21.022
flat angles C4'-P-C4' energy: -28.833
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -45.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -464.967015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.967015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.967015 (E_RNA)
where:
Base-Base interactions energy: -338.042
where: short stacking energy: -142.320
Base-Backbone interact. energy: -0.240
local terms energy: -136.684795
where:
bonds (distance) C4'-P energy: -20.810
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -30.157
flat angles P-C4'-P energy: -23.529
tors. eta vs tors. theta energy: -41.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -460.170664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.170664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.170664 (E_RNA)
where:
Base-Base interactions energy: -332.007
where: short stacking energy: -136.982
Base-Backbone interact. energy: -0.103
local terms energy: -138.060840
where:
bonds (distance) C4'-P energy: -17.768
bonds (distance) P-C4' energy: -27.674
flat angles C4'-P-C4' energy: -28.926
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: -41.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -424.849711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.849711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.849711 (E_RNA)
where:
Base-Base interactions energy: -303.294
where: short stacking energy: -126.442
Base-Backbone interact. energy: 0.252
local terms energy: -131.808008
where:
bonds (distance) C4'-P energy: -28.202
bonds (distance) P-C4' energy: -27.418
flat angles C4'-P-C4' energy: -24.199
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -37.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -422.906759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.906759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.906759 (E_RNA)
where:
Base-Base interactions energy: -307.329
where: short stacking energy: -126.229
Base-Backbone interact. energy: -0.072
local terms energy: -125.506153
where:
bonds (distance) C4'-P energy: -20.706
bonds (distance) P-C4' energy: -31.126
flat angles C4'-P-C4' energy: -23.787
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -34.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -283.302488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.302488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.302488 (E_RNA)
where:
Base-Base interactions energy: -194.296
where: short stacking energy: -79.146
Base-Backbone interact. energy: -1.003
local terms energy: -98.003102
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -26.792
flat angles P-C4'-P energy: -20.131
tors. eta vs tors. theta energy: -18.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -189.938482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.938482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.938482 (E_RNA)
where:
Base-Base interactions energy: -111.352
where: short stacking energy: -51.311
Base-Backbone interact. energy: 1.347
local terms energy: -89.933896
where:
bonds (distance) C4'-P energy: -18.554
bonds (distance) P-C4' energy: -22.044
flat angles C4'-P-C4' energy: -26.948
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -8.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -496.150560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.150560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.150560 (E_RNA)
where:
Base-Base interactions energy: -357.674
where: short stacking energy: -148.471
Base-Backbone interact. energy: -0.222
local terms energy: -148.254951
where:
bonds (distance) C4'-P energy: -27.779
bonds (distance) P-C4' energy: -25.527
flat angles C4'-P-C4' energy: -27.582
flat angles P-C4'-P energy: -21.934
tors. eta vs tors. theta energy: -45.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -492.096999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.096999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.096999 (E_RNA)
where:
Base-Base interactions energy: -347.714
where: short stacking energy: -152.428
Base-Backbone interact. energy: -0.104
local terms energy: -154.278969
where:
bonds (distance) C4'-P energy: -26.311
bonds (distance) P-C4' energy: -22.155
flat angles C4'-P-C4' energy: -33.683
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -47.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -490.052175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.052175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.052175 (E_RNA)
where:
Base-Base interactions energy: -348.863
where: short stacking energy: -148.123
Base-Backbone interact. energy: -0.345
local terms energy: -150.843436
where:
bonds (distance) C4'-P energy: -25.651
bonds (distance) P-C4' energy: -28.941
flat angles C4'-P-C4' energy: -26.112
flat angles P-C4'-P energy: -23.618
tors. eta vs tors. theta energy: -46.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -456.299324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.299324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.299324 (E_RNA)
where:
Base-Base interactions energy: -321.945
where: short stacking energy: -139.264
Base-Backbone interact. energy: -0.110
local terms energy: -144.243889
where:
bonds (distance) C4'-P energy: -26.970
bonds (distance) P-C4' energy: -32.036
flat angles C4'-P-C4' energy: -26.991
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -42.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -470.701873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.701873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.701873 (E_RNA)
where:
Base-Base interactions energy: -325.060
where: short stacking energy: -144.733
Base-Backbone interact. energy: -0.005
local terms energy: -155.635960
where:
bonds (distance) C4'-P energy: -28.974
bonds (distance) P-C4' energy: -30.310
flat angles C4'-P-C4' energy: -29.578
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -44.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -453.966225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.966225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.966225 (E_RNA)
where:
Base-Base interactions energy: -325.264
where: short stacking energy: -141.010
Base-Backbone interact. energy: -0.996
local terms energy: -137.705524
where:
bonds (distance) C4'-P energy: -23.473
bonds (distance) P-C4' energy: -22.960
flat angles C4'-P-C4' energy: -29.714
flat angles P-C4'-P energy: -17.315
tors. eta vs tors. theta energy: -44.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -448.180576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.180576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.180576 (E_RNA)
where:
Base-Base interactions energy: -331.491
where: short stacking energy: -136.577
Base-Backbone interact. energy: -0.168
local terms energy: -126.521184
where:
bonds (distance) C4'-P energy: -23.315
bonds (distance) P-C4' energy: -21.798
flat angles C4'-P-C4' energy: -23.174
flat angles P-C4'-P energy: -18.469
tors. eta vs tors. theta energy: -39.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -433.131133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.131133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.131133 (E_RNA)
where:
Base-Base interactions energy: -314.310
where: short stacking energy: -123.418
Base-Backbone interact. energy: -0.169
local terms energy: -128.652420
where:
bonds (distance) C4'-P energy: -24.436
bonds (distance) P-C4' energy: -31.355
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -41.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -267.799453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.799453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.799453 (E_RNA)
where:
Base-Base interactions energy: -168.623
where: short stacking energy: -70.089
Base-Backbone interact. energy: 3.684
local terms energy: -112.860431
where:
bonds (distance) C4'-P energy: -22.854
bonds (distance) P-C4' energy: -29.375
flat angles C4'-P-C4' energy: -28.397
flat angles P-C4'-P energy: -15.776
tors. eta vs tors. theta energy: -16.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -216.081831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.081831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.081831 (E_RNA)
where:
Base-Base interactions energy: -133.012
where: short stacking energy: -62.358
Base-Backbone interact. energy: 1.123
local terms energy: -94.192990
where:
bonds (distance) C4'-P energy: -26.673
bonds (distance) P-C4' energy: -24.024
flat angles C4'-P-C4' energy: -24.973
flat angles P-C4'-P energy: -5.513
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -497.449633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.449633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.449633 (E_RNA)
where:
Base-Base interactions energy: -346.323
where: short stacking energy: -147.304
Base-Backbone interact. energy: -1.296
local terms energy: -159.830255
where:
bonds (distance) C4'-P energy: -30.012
bonds (distance) P-C4' energy: -30.531
flat angles C4'-P-C4' energy: -33.165
flat angles P-C4'-P energy: -22.591
tors. eta vs tors. theta energy: -43.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -492.943411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.943411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.943411 (E_RNA)
where:
Base-Base interactions energy: -354.250
where: short stacking energy: -150.044
Base-Backbone interact. energy: -0.159
local terms energy: -148.534111
where:
bonds (distance) C4'-P energy: -27.166
bonds (distance) P-C4' energy: -26.162
flat angles C4'-P-C4' energy: -29.224
flat angles P-C4'-P energy: -23.482
tors. eta vs tors. theta energy: -42.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -471.502307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.502307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.502307 (E_RNA)
where:
Base-Base interactions energy: -335.534
where: short stacking energy: -140.037
Base-Backbone interact. energy: -0.151
local terms energy: -145.817295
where:
bonds (distance) C4'-P energy: -27.645
bonds (distance) P-C4' energy: -28.818
flat angles C4'-P-C4' energy: -24.794
flat angles P-C4'-P energy: -20.973
tors. eta vs tors. theta energy: -43.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -457.926737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.926737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.926737 (E_RNA)
where:
Base-Base interactions energy: -323.950
where: short stacking energy: -135.529
Base-Backbone interact. energy: 1.261
local terms energy: -145.237437
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -31.401
flat angles C4'-P-C4' energy: -31.168
flat angles P-C4'-P energy: -19.906
tors. eta vs tors. theta energy: -38.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -457.389178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.389178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.389178 (E_RNA)
where:
Base-Base interactions energy: -327.969
where: short stacking energy: -140.257
Base-Backbone interact. energy: -0.004
local terms energy: -139.415886
where:
bonds (distance) C4'-P energy: -23.032
bonds (distance) P-C4' energy: -27.138
flat angles C4'-P-C4' energy: -26.602
flat angles P-C4'-P energy: -19.350
tors. eta vs tors. theta energy: -43.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -469.761261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.761261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.761261 (E_RNA)
where:
Base-Base interactions energy: -347.168
where: short stacking energy: -144.658
Base-Backbone interact. energy: -0.003
local terms energy: -132.590627
where:
bonds (distance) C4'-P energy: -20.098
bonds (distance) P-C4' energy: -23.183
flat angles C4'-P-C4' energy: -25.635
flat angles P-C4'-P energy: -19.477
tors. eta vs tors. theta energy: -44.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -445.037763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.037763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.037763 (E_RNA)
where:
Base-Base interactions energy: -318.652
where: short stacking energy: -135.804
Base-Backbone interact. energy: -0.165
local terms energy: -136.220493
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -28.082
flat angles C4'-P-C4' energy: -28.205
flat angles P-C4'-P energy: -21.810
tors. eta vs tors. theta energy: -40.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -432.970129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.970129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.970129 (E_RNA)
where:
Base-Base interactions energy: -313.498
where: short stacking energy: -126.631
Base-Backbone interact. energy: -0.023
local terms energy: -129.448812
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -27.697
flat angles C4'-P-C4' energy: -24.568
flat angles P-C4'-P energy: -19.865
tors. eta vs tors. theta energy: -38.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -273.930449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.930449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.930449 (E_RNA)
where:
Base-Base interactions energy: -175.749
where: short stacking energy: -87.335
Base-Backbone interact. energy: -0.056
local terms energy: -108.125985
where:
bonds (distance) C4'-P energy: -25.876
bonds (distance) P-C4' energy: -26.187
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -13.575
tors. eta vs tors. theta energy: -25.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -259.474463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.474463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.474463 (E_RNA)
where:
Base-Base interactions energy: -182.020
where: short stacking energy: -74.224
Base-Backbone interact. energy: -1.380
local terms energy: -86.073994
where:
bonds (distance) C4'-P energy: -27.571
bonds (distance) P-C4' energy: -25.436
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -9.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -503.658190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.658190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.658190 (E_RNA)
where:
Base-Base interactions energy: -361.594
where: short stacking energy: -153.742
Base-Backbone interact. energy: -0.016
local terms energy: -152.048162
where:
bonds (distance) C4'-P energy: -29.293
bonds (distance) P-C4' energy: -26.854
flat angles C4'-P-C4' energy: -29.154
flat angles P-C4'-P energy: -21.541
tors. eta vs tors. theta energy: -45.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -481.641428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.641428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.641428 (E_RNA)
where:
Base-Base interactions energy: -344.745
where: short stacking energy: -140.908
Base-Backbone interact. energy: -0.882
local terms energy: -146.014358
where:
bonds (distance) C4'-P energy: -30.423
bonds (distance) P-C4' energy: -27.170
flat angles C4'-P-C4' energy: -28.517
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -40.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -481.371631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.371631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.371631 (E_RNA)
where:
Base-Base interactions energy: -345.562
where: short stacking energy: -148.927
Base-Backbone interact. energy: -0.721
local terms energy: -145.088519
where:
bonds (distance) C4'-P energy: -20.616
bonds (distance) P-C4' energy: -24.464
flat angles C4'-P-C4' energy: -31.314
flat angles P-C4'-P energy: -21.763
tors. eta vs tors. theta energy: -46.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -465.453683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.453683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.453683 (E_RNA)
where:
Base-Base interactions energy: -334.559
where: short stacking energy: -142.271
Base-Backbone interact. energy: -0.336
local terms energy: -140.558661
where:
bonds (distance) C4'-P energy: -21.612
bonds (distance) P-C4' energy: -19.900
flat angles C4'-P-C4' energy: -29.348
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -46.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -461.718391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.718391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.718391 (E_RNA)
where:
Base-Base interactions energy: -326.441
where: short stacking energy: -130.154
Base-Backbone interact. energy: -0.021
local terms energy: -145.256839
where:
bonds (distance) C4'-P energy: -29.268
bonds (distance) P-C4' energy: -26.057
flat angles C4'-P-C4' energy: -26.986
flat angles P-C4'-P energy: -21.829
tors. eta vs tors. theta energy: -41.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -455.056130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.056130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.056130 (E_RNA)
where:
Base-Base interactions energy: -328.222
where: short stacking energy: -134.043
Base-Backbone interact. energy: -0.289
local terms energy: -136.544637
where:
bonds (distance) C4'-P energy: -23.734
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -27.543
flat angles P-C4'-P energy: -20.077
tors. eta vs tors. theta energy: -39.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -436.501934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.501934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.501934 (E_RNA)
where:
Base-Base interactions energy: -316.919
where: short stacking energy: -125.913
Base-Backbone interact. energy: -0.050
local terms energy: -129.532943
where:
bonds (distance) C4'-P energy: -23.580
bonds (distance) P-C4' energy: -20.735
flat angles C4'-P-C4' energy: -29.840
flat angles P-C4'-P energy: -17.715
tors. eta vs tors. theta energy: -37.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -420.786972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.786972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.786972 (E_RNA)
where:
Base-Base interactions energy: -296.374
where: short stacking energy: -116.337
Base-Backbone interact. energy: -0.042
local terms energy: -134.370631
where:
bonds (distance) C4'-P energy: -25.521
bonds (distance) P-C4' energy: -29.106
flat angles C4'-P-C4' energy: -29.059
flat angles P-C4'-P energy: -11.128
tors. eta vs tors. theta energy: -39.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -290.135005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.135005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.135005 (E_RNA)
where:
Base-Base interactions energy: -196.728
where: short stacking energy: -95.423
Base-Backbone interact. energy: -1.038
local terms energy: -102.369301
where:
bonds (distance) C4'-P energy: -14.234
bonds (distance) P-C4' energy: -22.084
flat angles C4'-P-C4' energy: -27.430
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -23.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -205.213858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.213858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.213858 (E_RNA)
where:
Base-Base interactions energy: -116.802
where: short stacking energy: -57.060
Base-Backbone interact. energy: -0.255
local terms energy: -98.157120
where:
bonds (distance) C4'-P energy: -22.415
bonds (distance) P-C4' energy: -24.561
flat angles C4'-P-C4' energy: -27.262
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -10.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -496.966213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.966213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.966213 (E_RNA)
where:
Base-Base interactions energy: -351.965
where: short stacking energy: -147.135
Base-Backbone interact. energy: 0.447
local terms energy: -155.448492
where:
bonds (distance) C4'-P energy: -27.785
bonds (distance) P-C4' energy: -28.962
flat angles C4'-P-C4' energy: -32.181
flat angles P-C4'-P energy: -21.005
tors. eta vs tors. theta energy: -45.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -487.619406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.619406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.619406 (E_RNA)
where:
Base-Base interactions energy: -352.616
where: short stacking energy: -153.139
Base-Backbone interact. energy: -0.674
local terms energy: -144.329691
where:
bonds (distance) C4'-P energy: -25.438
bonds (distance) P-C4' energy: -24.604
flat angles C4'-P-C4' energy: -27.578
flat angles P-C4'-P energy: -19.792
tors. eta vs tors. theta energy: -46.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -491.453510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.453510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.453510 (E_RNA)
where:
Base-Base interactions energy: -352.434
where: short stacking energy: -151.634
Base-Backbone interact. energy: -0.008
local terms energy: -149.011322
where:
bonds (distance) C4'-P energy: -25.095
bonds (distance) P-C4' energy: -26.021
flat angles C4'-P-C4' energy: -31.424
flat angles P-C4'-P energy: -20.748
tors. eta vs tors. theta energy: -45.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -478.826255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.826255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.826255 (E_RNA)
where:
Base-Base interactions energy: -349.127
where: short stacking energy: -139.832
Base-Backbone interact. energy: -0.014
local terms energy: -139.685838
where:
bonds (distance) C4'-P energy: -21.752
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -31.193
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: -40.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -470.375735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.375735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.375735 (E_RNA)
where:
Base-Base interactions energy: -331.886
where: short stacking energy: -141.693
Base-Backbone interact. energy: -0.113
local terms energy: -148.376846
where:
bonds (distance) C4'-P energy: -28.188
bonds (distance) P-C4' energy: -25.998
flat angles C4'-P-C4' energy: -31.125
flat angles P-C4'-P energy: -19.366
tors. eta vs tors. theta energy: -43.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -448.867468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.867468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.867468 (E_RNA)
where:
Base-Base interactions energy: -322.615
where: short stacking energy: -131.255
Base-Backbone interact. energy: -0.977
local terms energy: -135.274979
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -25.764
flat angles C4'-P-C4' energy: -32.128
flat angles P-C4'-P energy: -17.458
tors. eta vs tors. theta energy: -41.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -420.857207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.857207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.857207 (E_RNA)
where:
Base-Base interactions energy: -301.151
where: short stacking energy: -119.160
Base-Backbone interact. energy: -0.260
local terms energy: -129.445828
where:
bonds (distance) C4'-P energy: -25.710
bonds (distance) P-C4' energy: -24.102
flat angles C4'-P-C4' energy: -27.428
flat angles P-C4'-P energy: -19.378
tors. eta vs tors. theta energy: -32.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -427.056686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.056686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.056686 (E_RNA)
where:
Base-Base interactions energy: -307.958
where: short stacking energy: -129.656
Base-Backbone interact. energy: -0.134
local terms energy: -128.964742
where:
bonds (distance) C4'-P energy: -22.868
bonds (distance) P-C4' energy: -27.925
flat angles C4'-P-C4' energy: -23.426
flat angles P-C4'-P energy: -16.862
tors. eta vs tors. theta energy: -37.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -316.696370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.696370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.696370 (E_RNA)
where:
Base-Base interactions energy: -212.032
where: short stacking energy: -105.428
Base-Backbone interact. energy: -0.310
local terms energy: -114.354717
where:
bonds (distance) C4'-P energy: -21.893
bonds (distance) P-C4' energy: -26.569
flat angles C4'-P-C4' energy: -27.740
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -25.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -223.935836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.935836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.935836 (E_RNA)
where:
Base-Base interactions energy: -142.676
where: short stacking energy: -66.083
Base-Backbone interact. energy: -0.423
local terms energy: -90.836419
where:
bonds (distance) C4'-P energy: -24.531
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -18.824
flat angles P-C4'-P energy: -5.854
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -497.429830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.429830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.429830 (E_RNA)
where:
Base-Base interactions energy: -341.960
where: short stacking energy: -147.100
Base-Backbone interact. energy: -0.010
local terms energy: -165.459873
where:
bonds (distance) C4'-P energy: -30.914
bonds (distance) P-C4' energy: -32.250
flat angles C4'-P-C4' energy: -31.427
flat angles P-C4'-P energy: -22.620
tors. eta vs tors. theta energy: -48.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -492.215973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.215973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.215973 (E_RNA)
where:
Base-Base interactions energy: -356.037
where: short stacking energy: -148.978
Base-Backbone interact. energy: -0.008
local terms energy: -146.171603
where:
bonds (distance) C4'-P energy: -26.834
bonds (distance) P-C4' energy: -25.062
flat angles C4'-P-C4' energy: -29.800
flat angles P-C4'-P energy: -20.326
tors. eta vs tors. theta energy: -44.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -478.205835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.205835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.205835 (E_RNA)
where:
Base-Base interactions energy: -343.057
where: short stacking energy: -139.330
Base-Backbone interact. energy: -0.187
local terms energy: -144.962423
where:
bonds (distance) C4'-P energy: -27.550
bonds (distance) P-C4' energy: -26.235
flat angles C4'-P-C4' energy: -27.493
flat angles P-C4'-P energy: -22.116
tors. eta vs tors. theta energy: -41.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -482.727104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.727104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.727104 (E_RNA)
where:
Base-Base interactions energy: -338.334
where: short stacking energy: -143.453
Base-Backbone interact. energy: -0.790
local terms energy: -153.603434
where:
bonds (distance) C4'-P energy: -22.957
bonds (distance) P-C4' energy: -29.857
flat angles C4'-P-C4' energy: -32.745
flat angles P-C4'-P energy: -22.761
tors. eta vs tors. theta energy: -45.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -469.662439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.662439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.662439 (E_RNA)
where:
Base-Base interactions energy: -333.502
where: short stacking energy: -144.709
Base-Backbone interact. energy: -0.829
local terms energy: -145.331537
where:
bonds (distance) C4'-P energy: -25.526
bonds (distance) P-C4' energy: -28.218
flat angles C4'-P-C4' energy: -27.565
flat angles P-C4'-P energy: -21.596
tors. eta vs tors. theta energy: -42.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -467.775408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.775408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.775408 (E_RNA)
where:
Base-Base interactions energy: -334.416
where: short stacking energy: -142.629
Base-Backbone interact. energy: -0.024
local terms energy: -143.335789
where:
bonds (distance) C4'-P energy: -21.006
bonds (distance) P-C4' energy: -28.840
flat angles C4'-P-C4' energy: -27.625
flat angles P-C4'-P energy: -18.740
tors. eta vs tors. theta energy: -47.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -436.341251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.341251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.341251 (E_RNA)
where:
Base-Base interactions energy: -310.430
where: short stacking energy: -127.467
Base-Backbone interact. energy: -0.006
local terms energy: -135.904704
where:
bonds (distance) C4'-P energy: -21.353
bonds (distance) P-C4' energy: -26.293
flat angles C4'-P-C4' energy: -25.721
flat angles P-C4'-P energy: -18.452
tors. eta vs tors. theta energy: -44.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -435.898537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.898537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.898537 (E_RNA)
where:
Base-Base interactions energy: -311.945
where: short stacking energy: -138.312
Base-Backbone interact. energy: -1.356
local terms energy: -132.598166
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -22.476
flat angles C4'-P-C4' energy: -30.635
flat angles P-C4'-P energy: -19.407
tors. eta vs tors. theta energy: -40.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -285.368231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.368231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.368231 (E_RNA)
where:
Base-Base interactions energy: -186.796
where: short stacking energy: -80.513
Base-Backbone interact. energy: -0.331
local terms energy: -108.241167
where:
bonds (distance) C4'-P energy: -26.560
bonds (distance) P-C4' energy: -25.892
flat angles C4'-P-C4' energy: -30.255
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -10.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -222.887917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.887917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.887917 (E_RNA)
where:
Base-Base interactions energy: -142.990
where: short stacking energy: -67.430
Base-Backbone interact. energy: -0.288
local terms energy: -89.609940
where:
bonds (distance) C4'-P energy: -20.829
bonds (distance) P-C4' energy: -24.586
flat angles C4'-P-C4' energy: -16.260
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -501.765198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.765198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.765198 (E_RNA)
where:
Base-Base interactions energy: -354.260
where: short stacking energy: -148.287
Base-Backbone interact. energy: -0.123
local terms energy: -157.382921
where:
bonds (distance) C4'-P energy: -32.345
bonds (distance) P-C4' energy: -28.073
flat angles C4'-P-C4' energy: -28.866
flat angles P-C4'-P energy: -22.912
tors. eta vs tors. theta energy: -45.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -485.533439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.533439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.533439 (E_RNA)
where:
Base-Base interactions energy: -346.386
where: short stacking energy: -137.471
Base-Backbone interact. energy: -0.693
local terms energy: -148.454696
where:
bonds (distance) C4'-P energy: -30.792
bonds (distance) P-C4' energy: -29.153
flat angles C4'-P-C4' energy: -29.226
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -41.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -477.878330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.878330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.878330 (E_RNA)
where:
Base-Base interactions energy: -339.862
where: short stacking energy: -138.609
Base-Backbone interact. energy: -0.637
local terms energy: -147.379226
where:
bonds (distance) C4'-P energy: -19.844
bonds (distance) P-C4' energy: -26.920
flat angles C4'-P-C4' energy: -32.530
flat angles P-C4'-P energy: -20.226
tors. eta vs tors. theta energy: -47.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -473.458811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.458811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.458811 (E_RNA)
where:
Base-Base interactions energy: -336.648
where: short stacking energy: -143.217
Base-Backbone interact. energy: -0.013
local terms energy: -146.797510
where:
bonds (distance) C4'-P energy: -27.914
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -31.987
flat angles P-C4'-P energy: -21.238
tors. eta vs tors. theta energy: -43.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -466.403905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.403905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.403905 (E_RNA)
where:
Base-Base interactions energy: -341.789
where: short stacking energy: -141.087
Base-Backbone interact. energy: -0.099
local terms energy: -134.515337
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -27.978
flat angles P-C4'-P energy: -24.597
tors. eta vs tors. theta energy: -38.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -451.556770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.556770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.556770 (E_RNA)
where:
Base-Base interactions energy: -323.912
where: short stacking energy: -135.549
Base-Backbone interact. energy: -0.672
local terms energy: -136.972243
where:
bonds (distance) C4'-P energy: -24.490
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -28.636
flat angles P-C4'-P energy: -20.354
tors. eta vs tors. theta energy: -44.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -443.078375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.078375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.078375 (E_RNA)
where:
Base-Base interactions energy: -312.369
where: short stacking energy: -127.802
Base-Backbone interact. energy: -0.608
local terms energy: -140.101004
where:
bonds (distance) C4'-P energy: -23.234
bonds (distance) P-C4' energy: -24.664
flat angles C4'-P-C4' energy: -28.156
flat angles P-C4'-P energy: -21.314
tors. eta vs tors. theta energy: -42.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -438.216794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.216794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.216794 (E_RNA)
where:
Base-Base interactions energy: -310.492
where: short stacking energy: -123.033
Base-Backbone interact. energy: 2.097
local terms energy: -139.821792
where:
bonds (distance) C4'-P energy: -28.573
bonds (distance) P-C4' energy: -25.042
flat angles C4'-P-C4' energy: -31.304
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -40.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -282.753496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.753496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.753496 (E_RNA)
where:
Base-Base interactions energy: -182.711
where: short stacking energy: -88.177
Base-Backbone interact. energy: -0.636
local terms energy: -109.406284
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -26.716
flat angles C4'-P-C4' energy: -29.110
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -20.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -207.632698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.632698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.632698 (E_RNA)
where:
Base-Base interactions energy: -121.347
where: short stacking energy: -60.516
Base-Backbone interact. energy: 3.678
local terms energy: -99.962915
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -23.088
flat angles C4'-P-C4' energy: -20.279
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -12.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -496.657400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.657400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.657400 (E_RNA)
where:
Base-Base interactions energy: -349.893
where: short stacking energy: -148.835
Base-Backbone interact. energy: -0.031
local terms energy: -156.733703
where:
bonds (distance) C4'-P energy: -28.842
bonds (distance) P-C4' energy: -28.575
flat angles C4'-P-C4' energy: -32.119
flat angles P-C4'-P energy: -22.681
tors. eta vs tors. theta energy: -44.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -488.730822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.730822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.730822 (E_RNA)
where:
Base-Base interactions energy: -350.708
where: short stacking energy: -143.009
Base-Backbone interact. energy: -0.339
local terms energy: -147.684016
where:
bonds (distance) C4'-P energy: -27.630
bonds (distance) P-C4' energy: -26.187
flat angles C4'-P-C4' energy: -27.983
flat angles P-C4'-P energy: -19.427
tors. eta vs tors. theta energy: -46.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -485.214110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.214110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.214110 (E_RNA)
where:
Base-Base interactions energy: -346.924
where: short stacking energy: -143.361
Base-Backbone interact. energy: -0.335
local terms energy: -147.955941
where:
bonds (distance) C4'-P energy: -29.557
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -30.423
flat angles P-C4'-P energy: -20.818
tors. eta vs tors. theta energy: -42.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -477.669422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.669422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.669422 (E_RNA)
where:
Base-Base interactions energy: -343.831
where: short stacking energy: -146.869
Base-Backbone interact. energy: -0.013
local terms energy: -143.825049
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -29.708
flat angles P-C4'-P energy: -21.764
tors. eta vs tors. theta energy: -45.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -472.364531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.364531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.364531 (E_RNA)
where:
Base-Base interactions energy: -341.920
where: short stacking energy: -140.505
Base-Backbone interact. energy: -0.138
local terms energy: -140.307075
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -24.189
flat angles C4'-P-C4' energy: -30.557
flat angles P-C4'-P energy: -19.077
tors. eta vs tors. theta energy: -42.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -447.483869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.483869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.483869 (E_RNA)
where:
Base-Base interactions energy: -322.007
where: short stacking energy: -133.280
Base-Backbone interact. energy: 0.444
local terms energy: -135.920424
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -26.241
flat angles C4'-P-C4' energy: -26.984
flat angles P-C4'-P energy: -17.784
tors. eta vs tors. theta energy: -42.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -447.543434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.543434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.543434 (E_RNA)
where:
Base-Base interactions energy: -324.077
where: short stacking energy: -133.064
Base-Backbone interact. energy: -0.480
local terms energy: -132.986350
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -29.315
flat angles C4'-P-C4' energy: -28.799
flat angles P-C4'-P energy: -20.610
tors. eta vs tors. theta energy: -38.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -439.451934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.451934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.451934 (E_RNA)
where:
Base-Base interactions energy: -318.236
where: short stacking energy: -140.059
Base-Backbone interact. energy: -0.278
local terms energy: -130.937565
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -25.015
flat angles C4'-P-C4' energy: -25.786
flat angles P-C4'-P energy: -19.704
tors. eta vs tors. theta energy: -43.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -284.780016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.780016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.780016 (E_RNA)
where:
Base-Base interactions energy: -193.380
where: short stacking energy: -87.697
Base-Backbone interact. energy: -0.118
local terms energy: -101.282046
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -20.789
flat angles C4'-P-C4' energy: -25.550
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -228.911963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.911963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.911963 (E_RNA)
where:
Base-Base interactions energy: -139.792
where: short stacking energy: -68.944
Base-Backbone interact. energy: 0.271
local terms energy: -99.391014
where:
bonds (distance) C4'-P energy: -19.965
bonds (distance) P-C4' energy: -25.483
flat angles C4'-P-C4' energy: -19.406
flat angles P-C4'-P energy: -23.929
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -497.934050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.934050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.934050 (E_RNA)
where:
Base-Base interactions energy: -358.711
where: short stacking energy: -149.413
Base-Backbone interact. energy: -0.441
local terms energy: -148.781658
where:
bonds (distance) C4'-P energy: -26.318
bonds (distance) P-C4' energy: -23.469
flat angles C4'-P-C4' energy: -31.222
flat angles P-C4'-P energy: -20.532
tors. eta vs tors. theta energy: -47.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -491.094185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.094185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.094185 (E_RNA)
where:
Base-Base interactions energy: -351.411
where: short stacking energy: -149.179
Base-Backbone interact. energy: -0.002
local terms energy: -149.680577
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -26.644
flat angles C4'-P-C4' energy: -31.080
flat angles P-C4'-P energy: -23.688
tors. eta vs tors. theta energy: -43.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -477.586212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.586212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.586212 (E_RNA)
where:
Base-Base interactions energy: -344.192
where: short stacking energy: -140.044
Base-Backbone interact. energy: -0.696
local terms energy: -142.698490
where:
bonds (distance) C4'-P energy: -21.397
bonds (distance) P-C4' energy: -26.574
flat angles C4'-P-C4' energy: -28.656
flat angles P-C4'-P energy: -19.769
tors. eta vs tors. theta energy: -46.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -480.000983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.000983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.000983 (E_RNA)
where:
Base-Base interactions energy: -341.046
where: short stacking energy: -143.476
Base-Backbone interact. energy: -0.020
local terms energy: -148.934425
where:
bonds (distance) C4'-P energy: -20.764
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -33.305
flat angles P-C4'-P energy: -25.504
tors. eta vs tors. theta energy: -45.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -462.408807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.408807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.408807 (E_RNA)
where:
Base-Base interactions energy: -328.723
where: short stacking energy: -134.295
Base-Backbone interact. energy: -0.603
local terms energy: -143.082818
where:
bonds (distance) C4'-P energy: -19.874
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -32.953
flat angles P-C4'-P energy: -23.278
tors. eta vs tors. theta energy: -45.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -439.636031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.636031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.636031 (E_RNA)
where:
Base-Base interactions energy: -326.579
where: short stacking energy: -132.348
Base-Backbone interact. energy: 1.099
local terms energy: -124.156047
where:
bonds (distance) C4'-P energy: -27.907
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -29.189
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -35.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -438.096487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.096487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.096487 (E_RNA)
where:
Base-Base interactions energy: -321.896
where: short stacking energy: -127.999
Base-Backbone interact. energy: 0.429
local terms energy: -126.629656
where:
bonds (distance) C4'-P energy: -23.852
bonds (distance) P-C4' energy: -24.268
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -38.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -434.705062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.705062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.705062 (E_RNA)
where:
Base-Base interactions energy: -320.770
where: short stacking energy: -134.044
Base-Backbone interact. energy: -0.297
local terms energy: -123.638040
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -21.601
flat angles C4'-P-C4' energy: -24.019
flat angles P-C4'-P energy: -20.410
tors. eta vs tors. theta energy: -35.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -278.768767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.768767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.768767 (E_RNA)
where:
Base-Base interactions energy: -198.439
where: short stacking energy: -86.589
Base-Backbone interact. energy: -0.034
local terms energy: -90.295637
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -21.801
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -17.024
tors. eta vs tors. theta energy: -16.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -233.522374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.522374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.522374 (E_RNA)
where:
Base-Base interactions energy: -161.007
where: short stacking energy: -74.960
Base-Backbone interact. energy: -1.151
local terms energy: -81.364378
where:
bonds (distance) C4'-P energy: -18.689
bonds (distance) P-C4' energy: -21.229
flat angles C4'-P-C4' energy: -19.901
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -12.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -498.317879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.317879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.317879 (E_RNA)
where:
Base-Base interactions energy: -355.590
where: short stacking energy: -146.627
Base-Backbone interact. energy: 0.292
local terms energy: -153.019807
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -28.636
flat angles C4'-P-C4' energy: -29.540
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -45.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -492.848492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.848492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.848492 (E_RNA)
where:
Base-Base interactions energy: -356.888
where: short stacking energy: -149.117
Base-Backbone interact. energy: -0.369
local terms energy: -145.591726
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -28.225
flat angles C4'-P-C4' energy: -29.531
flat angles P-C4'-P energy: -24.100
tors. eta vs tors. theta energy: -45.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -478.015803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.015803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.015803 (E_RNA)
where:
Base-Base interactions energy: -335.653
where: short stacking energy: -138.409
Base-Backbone interact. energy: -0.200
local terms energy: -152.162599
where:
bonds (distance) C4'-P energy: -28.553
bonds (distance) P-C4' energy: -30.580
flat angles C4'-P-C4' energy: -30.718
flat angles P-C4'-P energy: -19.414
tors. eta vs tors. theta energy: -42.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -470.376249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.376249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.376249 (E_RNA)
where:
Base-Base interactions energy: -332.813
where: short stacking energy: -140.649
Base-Backbone interact. energy: -0.006
local terms energy: -147.557397
where:
bonds (distance) C4'-P energy: -25.375
bonds (distance) P-C4' energy: -26.881
flat angles C4'-P-C4' energy: -28.075
flat angles P-C4'-P energy: -22.407
tors. eta vs tors. theta energy: -44.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -464.122887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.122887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.122887 (E_RNA)
where:
Base-Base interactions energy: -331.770
where: short stacking energy: -143.123
Base-Backbone interact. energy: -0.005
local terms energy: -142.347859
where:
bonds (distance) C4'-P energy: -23.408
bonds (distance) P-C4' energy: -26.072
flat angles C4'-P-C4' energy: -29.888
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -43.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -430.272851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.272851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.272851 (E_RNA)
where:
Base-Base interactions energy: -312.098
where: short stacking energy: -130.286
Base-Backbone interact. energy: -0.006
local terms energy: -128.169314
where:
bonds (distance) C4'-P energy: -12.381
bonds (distance) P-C4' energy: -28.030
flat angles C4'-P-C4' energy: -28.982
flat angles P-C4'-P energy: -19.613
tors. eta vs tors. theta energy: -39.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -429.681833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.681833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.681833 (E_RNA)
where:
Base-Base interactions energy: -305.976
where: short stacking energy: -125.168
Base-Backbone interact. energy: -0.032
local terms energy: -133.674208
where:
bonds (distance) C4'-P energy: -23.397
bonds (distance) P-C4' energy: -26.509
flat angles C4'-P-C4' energy: -29.255
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -39.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -425.135490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.135490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.135490 (E_RNA)
where:
Base-Base interactions energy: -313.008
where: short stacking energy: -126.030
Base-Backbone interact. energy: -0.327
local terms energy: -121.800185
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -24.502
flat angles P-C4'-P energy: -19.588
tors. eta vs tors. theta energy: -38.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -265.944262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.944262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.944262 (E_RNA)
where:
Base-Base interactions energy: -165.419
where: short stacking energy: -73.501
Base-Backbone interact. energy: -0.254
local terms energy: -110.271628
where:
bonds (distance) C4'-P energy: -26.218
bonds (distance) P-C4' energy: -25.370
flat angles C4'-P-C4' energy: -28.228
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -17.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -227.241892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.241892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.241892 (E_RNA)
where:
Base-Base interactions energy: -152.448
where: short stacking energy: -79.566
Base-Backbone interact. energy: 0.045
local terms energy: -84.838181
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -24.585
flat angles C4'-P-C4' energy: -22.316
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -14.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -496.036955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.036955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.036955 (E_RNA)
where:
Base-Base interactions energy: -347.071
where: short stacking energy: -145.492
Base-Backbone interact. energy: -0.093
local terms energy: -158.872981
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -28.484
flat angles C4'-P-C4' energy: -33.481
flat angles P-C4'-P energy: -24.550
tors. eta vs tors. theta energy: -45.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -486.624959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.624959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.624959 (E_RNA)
where:
Base-Base interactions energy: -346.214
where: short stacking energy: -140.338
Base-Backbone interact. energy: 0.395
local terms energy: -150.805983
where:
bonds (distance) C4'-P energy: -28.045
bonds (distance) P-C4' energy: -27.358
flat angles C4'-P-C4' energy: -30.700
flat angles P-C4'-P energy: -24.228
tors. eta vs tors. theta energy: -40.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -470.457863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.457863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.457863 (E_RNA)
where:
Base-Base interactions energy: -339.040
where: short stacking energy: -133.735
Base-Backbone interact. energy: -0.432
local terms energy: -140.986815
where:
bonds (distance) C4'-P energy: -25.658
bonds (distance) P-C4' energy: -19.895
flat angles C4'-P-C4' energy: -31.877
flat angles P-C4'-P energy: -20.434
tors. eta vs tors. theta energy: -43.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -479.937840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.937840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.937840 (E_RNA)
where:
Base-Base interactions energy: -340.630
where: short stacking energy: -139.687
Base-Backbone interact. energy: -0.413
local terms energy: -148.895230
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -29.058
flat angles C4'-P-C4' energy: -29.608
flat angles P-C4'-P energy: -26.031
tors. eta vs tors. theta energy: -42.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -481.543564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.543564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.543564 (E_RNA)
where:
Base-Base interactions energy: -347.887
where: short stacking energy: -152.437
Base-Backbone interact. energy: -0.042
local terms energy: -143.614486
where:
bonds (distance) C4'-P energy: -24.095
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -34.102
flat angles P-C4'-P energy: -21.966
tors. eta vs tors. theta energy: -47.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -459.207047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.207047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.207047 (E_RNA)
where:
Base-Base interactions energy: -320.207
where: short stacking energy: -137.177
Base-Backbone interact. energy: -0.090
local terms energy: -148.910218
where:
bonds (distance) C4'-P energy: -28.257
bonds (distance) P-C4' energy: -28.947
flat angles C4'-P-C4' energy: -27.229
flat angles P-C4'-P energy: -18.864
tors. eta vs tors. theta energy: -45.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -446.186915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.186915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.186915 (E_RNA)
where:
Base-Base interactions energy: -322.503
where: short stacking energy: -129.938
Base-Backbone interact. energy: -0.175
local terms energy: -133.508906
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -27.394
flat angles C4'-P-C4' energy: -30.645
flat angles P-C4'-P energy: -17.564
tors. eta vs tors. theta energy: -38.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -428.403619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.403619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.403619 (E_RNA)
where:
Base-Base interactions energy: -302.645
where: short stacking energy: -126.557
Base-Backbone interact. energy: -0.147
local terms energy: -135.611081
where:
bonds (distance) C4'-P energy: -19.930
bonds (distance) P-C4' energy: -23.402
flat angles C4'-P-C4' energy: -32.808
flat angles P-C4'-P energy: -19.478
tors. eta vs tors. theta energy: -39.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -300.164956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.164956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -310.164956 (E_RNA)
where:
Base-Base interactions energy: -203.103
where: short stacking energy: -82.891
Base-Backbone interact. energy: -0.055
local terms energy: -107.007804
where:
bonds (distance) C4'-P energy: -22.535
bonds (distance) P-C4' energy: -20.965
flat angles C4'-P-C4' energy: -27.400
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -22.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -236.920952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.920952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.920952 (E_RNA)
where:
Base-Base interactions energy: -148.700
where: short stacking energy: -72.315
Base-Backbone interact. energy: 0.197
local terms energy: -98.417975
where:
bonds (distance) C4'-P energy: -21.148
bonds (distance) P-C4' energy: -23.834
flat angles C4'-P-C4' energy: -24.752
flat angles P-C4'-P energy: -20.655
tors. eta vs tors. theta energy: -8.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -489.595604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.595604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.595604 (E_RNA)
where:
Base-Base interactions energy: -345.251
where: short stacking energy: -146.720
Base-Backbone interact. energy: -0.011
local terms energy: -154.333612
where:
bonds (distance) C4'-P energy: -28.788
bonds (distance) P-C4' energy: -24.425
flat angles C4'-P-C4' energy: -30.052
flat angles P-C4'-P energy: -22.560
tors. eta vs tors. theta energy: -48.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -488.676403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.676403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.676403 (E_RNA)
where:
Base-Base interactions energy: -358.321
where: short stacking energy: -143.494
Base-Backbone interact. energy: -0.177
local terms energy: -140.177917
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -29.189
flat angles C4'-P-C4' energy: -28.622
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -44.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -481.816151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.816151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.816151 (E_RNA)
where:
Base-Base interactions energy: -336.286
where: short stacking energy: -139.983
Base-Backbone interact. energy: -0.418
local terms energy: -155.112559
where:
bonds (distance) C4'-P energy: -28.423
bonds (distance) P-C4' energy: -29.149
flat angles C4'-P-C4' energy: -32.326
flat angles P-C4'-P energy: -18.861
tors. eta vs tors. theta energy: -46.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -479.469447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.469447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.469447 (E_RNA)
where:
Base-Base interactions energy: -349.101
where: short stacking energy: -136.589
Base-Backbone interact. energy: 1.643
local terms energy: -142.011472
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -20.310
flat angles C4'-P-C4' energy: -34.088
flat angles P-C4'-P energy: -24.819
tors. eta vs tors. theta energy: -41.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -470.175387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.175387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.175387 (E_RNA)
where:
Base-Base interactions energy: -332.568
where: short stacking energy: -145.483
Base-Backbone interact. energy: -0.374
local terms energy: -147.234291
where:
bonds (distance) C4'-P energy: -25.823
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -30.312
flat angles P-C4'-P energy: -22.919
tors. eta vs tors. theta energy: -45.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -440.168247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.168247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.168247 (E_RNA)
where:
Base-Base interactions energy: -323.671
where: short stacking energy: -134.633
Base-Backbone interact. energy: -0.035
local terms energy: -126.462299
where:
bonds (distance) C4'-P energy: -24.901
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -29.154
flat angles P-C4'-P energy: -17.636
tors. eta vs tors. theta energy: -41.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -427.434455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.434455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.434455 (E_RNA)
where:
Base-Base interactions energy: -310.413
where: short stacking energy: -126.108
Base-Backbone interact. energy: -0.204
local terms energy: -126.817400
where:
bonds (distance) C4'-P energy: -19.840
bonds (distance) P-C4' energy: -23.054
flat angles C4'-P-C4' energy: -28.045
flat angles P-C4'-P energy: -21.659
tors. eta vs tors. theta energy: -34.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -430.958554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.958554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.958554 (E_RNA)
where:
Base-Base interactions energy: -311.532
where: short stacking energy: -125.199
Base-Backbone interact. energy: -0.265
local terms energy: -129.161640
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -20.758
flat angles C4'-P-C4' energy: -29.060
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -37.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -355.002071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.002071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.002071 (E_RNA)
where:
Base-Base interactions energy: -233.234
where: short stacking energy: -101.734
Base-Backbone interact. energy: -1.109
local terms energy: -130.659102
where:
bonds (distance) C4'-P energy: -28.766
bonds (distance) P-C4' energy: -27.591
flat angles C4'-P-C4' energy: -24.193
flat angles P-C4'-P energy: -15.976
tors. eta vs tors. theta energy: -34.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -216.914674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.914674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.914674 (E_RNA)
where:
Base-Base interactions energy: -142.704
where: short stacking energy: -66.190
Base-Backbone interact. energy: -0.192
local terms energy: -84.018308
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -23.610
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -502.721810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.721810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.721810 (E_RNA)
where:
Base-Base interactions energy: -352.767
where: short stacking energy: -150.617
Base-Backbone interact. energy: -0.002
local terms energy: -159.952605
where:
bonds (distance) C4'-P energy: -30.699
bonds (distance) P-C4' energy: -29.445
flat angles C4'-P-C4' energy: -31.482
flat angles P-C4'-P energy: -22.062
tors. eta vs tors. theta energy: -46.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -488.348421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.348421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.348421 (E_RNA)
where:
Base-Base interactions energy: -340.855
where: short stacking energy: -137.451
Base-Backbone interact. energy: -0.013
local terms energy: -157.480376
where:
bonds (distance) C4'-P energy: -30.493
bonds (distance) P-C4' energy: -29.096
flat angles C4'-P-C4' energy: -33.727
flat angles P-C4'-P energy: -19.573
tors. eta vs tors. theta energy: -44.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -482.623507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.623507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.623507 (E_RNA)
where:
Base-Base interactions energy: -344.768
where: short stacking energy: -147.659
Base-Backbone interact. energy: -0.017
local terms energy: -147.838823
where:
bonds (distance) C4'-P energy: -23.603
bonds (distance) P-C4' energy: -30.273
flat angles C4'-P-C4' energy: -27.316
flat angles P-C4'-P energy: -20.040
tors. eta vs tors. theta energy: -46.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -476.768735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.768735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.768735 (E_RNA)
where:
Base-Base interactions energy: -342.621
where: short stacking energy: -140.839
Base-Backbone interact. energy: -0.175
local terms energy: -143.973174
where:
bonds (distance) C4'-P energy: -21.622
bonds (distance) P-C4' energy: -26.953
flat angles C4'-P-C4' energy: -29.432
flat angles P-C4'-P energy: -22.478
tors. eta vs tors. theta energy: -43.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -468.623722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.623722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.623722 (E_RNA)
where:
Base-Base interactions energy: -343.889
where: short stacking energy: -135.653
Base-Backbone interact. energy: -0.181
local terms energy: -134.553625
where:
bonds (distance) C4'-P energy: -24.001
bonds (distance) P-C4' energy: -27.462
flat angles C4'-P-C4' energy: -26.353
flat angles P-C4'-P energy: -16.751
tors. eta vs tors. theta energy: -39.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -466.859051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.859051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.859051 (E_RNA)
where:
Base-Base interactions energy: -337.636
where: short stacking energy: -139.979
Base-Backbone interact. energy: 0.545
local terms energy: -139.767903
where:
bonds (distance) C4'-P energy: -23.965
bonds (distance) P-C4' energy: -21.905
flat angles C4'-P-C4' energy: -31.983
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -44.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -450.172264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.172264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.172264 (E_RNA)
where:
Base-Base interactions energy: -320.009
where: short stacking energy: -139.880
Base-Backbone interact. energy: -0.002
local terms energy: -140.161169
where:
bonds (distance) C4'-P energy: -21.803
bonds (distance) P-C4' energy: -28.320
flat angles C4'-P-C4' energy: -27.272
flat angles P-C4'-P energy: -19.899
tors. eta vs tors. theta energy: -42.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -408.333540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.333540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.333540 (E_RNA)
where:
Base-Base interactions energy: -296.912
where: short stacking energy: -124.253
Base-Backbone interact. energy: -0.583
local terms energy: -120.838304
where:
bonds (distance) C4'-P energy: -18.866
bonds (distance) P-C4' energy: -24.269
flat angles C4'-P-C4' energy: -21.644
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -38.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -236.564058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.564058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.564058 (E_RNA)
where:
Base-Base interactions energy: -154.354
where: short stacking energy: -71.488
Base-Backbone interact. energy: -0.474
local terms energy: -91.735895
where:
bonds (distance) C4'-P energy: -27.503
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -15.969
tors. eta vs tors. theta energy: -12.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -339.434376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.434376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.434376 (E_RNA)
where:
Base-Base interactions energy: -239.499
where: short stacking energy: -110.326
Base-Backbone interact. energy: -0.134
local terms energy: -109.802076
where:
bonds (distance) C4'-P energy: -16.852
bonds (distance) P-C4' energy: -23.005
flat angles C4'-P-C4' energy: -21.453
flat angles P-C4'-P energy: -19.221
tors. eta vs tors. theta energy: -29.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -493.490845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.490845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.490845 (E_RNA)
where:
Base-Base interactions energy: -341.992
where: short stacking energy: -146.148
Base-Backbone interact. energy: -0.955
local terms energy: -160.543567
where:
bonds (distance) C4'-P energy: -27.823
bonds (distance) P-C4' energy: -30.418
flat angles C4'-P-C4' energy: -30.592
flat angles P-C4'-P energy: -26.221
tors. eta vs tors. theta energy: -45.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -487.361918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.361918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.361918 (E_RNA)
where:
Base-Base interactions energy: -350.377
where: short stacking energy: -152.968
Base-Backbone interact. energy: 0.347
local terms energy: -147.332158
where:
bonds (distance) C4'-P energy: -28.535
bonds (distance) P-C4' energy: -25.279
flat angles C4'-P-C4' energy: -25.275
flat angles P-C4'-P energy: -24.003
tors. eta vs tors. theta energy: -44.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -477.424482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.424482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.424482 (E_RNA)
where:
Base-Base interactions energy: -347.781
where: short stacking energy: -140.147
Base-Backbone interact. energy: -0.053
local terms energy: -139.589633
where:
bonds (distance) C4'-P energy: -26.223
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -27.313
flat angles P-C4'-P energy: -22.811
tors. eta vs tors. theta energy: -41.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -476.740607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.740607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.740607 (E_RNA)
where:
Base-Base interactions energy: -337.997
where: short stacking energy: -141.606
Base-Backbone interact. energy: -0.719
local terms energy: -148.024717
where:
bonds (distance) C4'-P energy: -28.913
bonds (distance) P-C4' energy: -24.144
flat angles C4'-P-C4' energy: -31.412
flat angles P-C4'-P energy: -19.079
tors. eta vs tors. theta energy: -44.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -446.595483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.595483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.595483 (E_RNA)
where:
Base-Base interactions energy: -323.683
where: short stacking energy: -143.986
Base-Backbone interact. energy: -0.200
local terms energy: -132.712771
where:
bonds (distance) C4'-P energy: -26.671
bonds (distance) P-C4' energy: -24.411
flat angles C4'-P-C4' energy: -26.895
flat angles P-C4'-P energy: -16.706
tors. eta vs tors. theta energy: -38.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -467.094499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.094499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.094499 (E_RNA)
where:
Base-Base interactions energy: -328.631
where: short stacking energy: -137.620
Base-Backbone interact. energy: -0.318
local terms energy: -148.145108
where:
bonds (distance) C4'-P energy: -26.929
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -31.240
flat angles P-C4'-P energy: -24.292
tors. eta vs tors. theta energy: -45.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -456.914910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.914910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.914910 (E_RNA)
where:
Base-Base interactions energy: -321.308
where: short stacking energy: -131.734
Base-Backbone interact. energy: -0.626
local terms energy: -144.980944
where:
bonds (distance) C4'-P energy: -26.647
bonds (distance) P-C4' energy: -20.990
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -21.101
tors. eta vs tors. theta energy: -44.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -434.624163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.624163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.624163 (E_RNA)
where:
Base-Base interactions energy: -323.279
where: short stacking energy: -135.065
Base-Backbone interact. energy: 4.048
local terms energy: -125.392869
where:
bonds (distance) C4'-P energy: -21.401
bonds (distance) P-C4' energy: -22.923
flat angles C4'-P-C4' energy: -24.497
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -41.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -249.022171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.022171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.022171 (E_RNA)
where:
Base-Base interactions energy: -159.779
where: short stacking energy: -70.714
Base-Backbone interact. energy: -0.500
local terms energy: -98.743474
where:
bonds (distance) C4'-P energy: -27.518
bonds (distance) P-C4' energy: -26.052
flat angles C4'-P-C4' energy: -18.932
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -383.821765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.821765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.821765 (E_RNA)
where:
Base-Base interactions energy: -271.980
where: short stacking energy: -107.084
Base-Backbone interact. energy: 0.168
local terms energy: -122.009490
where:
bonds (distance) C4'-P energy: -20.213
bonds (distance) P-C4' energy: -26.232
flat angles C4'-P-C4' energy: -21.070
flat angles P-C4'-P energy: -24.930
tors. eta vs tors. theta energy: -29.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -499.206890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.206890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.206890 (E_RNA)
where:
Base-Base interactions energy: -364.540
where: short stacking energy: -151.732
Base-Backbone interact. energy: -0.197
local terms energy: -144.469554
where:
bonds (distance) C4'-P energy: -24.855
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -29.523
flat angles P-C4'-P energy: -23.056
tors. eta vs tors. theta energy: -43.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -493.679136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.679136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.679136 (E_RNA)
where:
Base-Base interactions energy: -354.396
where: short stacking energy: -150.638
Base-Backbone interact. energy: 1.161
local terms energy: -150.443917
where:
bonds (distance) C4'-P energy: -27.119
bonds (distance) P-C4' energy: -24.658
flat angles C4'-P-C4' energy: -31.204
flat angles P-C4'-P energy: -22.514
tors. eta vs tors. theta energy: -44.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -484.133525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.133525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.133525 (E_RNA)
where:
Base-Base interactions energy: -339.900
where: short stacking energy: -146.513
Base-Backbone interact. energy: -0.167
local terms energy: -154.067076
where:
bonds (distance) C4'-P energy: -29.971
bonds (distance) P-C4' energy: -26.216
flat angles C4'-P-C4' energy: -31.247
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -46.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -473.353795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.353795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.353795 (E_RNA)
where:
Base-Base interactions energy: -334.333
where: short stacking energy: -134.512
Base-Backbone interact. energy: -0.069
local terms energy: -148.952276
where:
bonds (distance) C4'-P energy: -25.735
bonds (distance) P-C4' energy: -28.606
flat angles C4'-P-C4' energy: -32.666
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -44.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -467.909379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.909379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.909379 (E_RNA)
where:
Base-Base interactions energy: -332.881
where: short stacking energy: -139.079
Base-Backbone interact. energy: -0.007
local terms energy: -145.021190
where:
bonds (distance) C4'-P energy: -21.108
bonds (distance) P-C4' energy: -26.732
flat angles C4'-P-C4' energy: -30.779
flat angles P-C4'-P energy: -23.855
tors. eta vs tors. theta energy: -42.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -453.949423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.949423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.949423 (E_RNA)
where:
Base-Base interactions energy: -316.322
where: short stacking energy: -139.565
Base-Backbone interact. energy: -0.281
local terms energy: -147.345867
where:
bonds (distance) C4'-P energy: -25.154
bonds (distance) P-C4' energy: -26.382
flat angles C4'-P-C4' energy: -31.261
flat angles P-C4'-P energy: -22.043
tors. eta vs tors. theta energy: -42.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -450.571969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.571969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.571969 (E_RNA)
where:
Base-Base interactions energy: -329.379
where: short stacking energy: -138.288
Base-Backbone interact. energy: -0.296
local terms energy: -130.897228
where:
bonds (distance) C4'-P energy: -22.938
bonds (distance) P-C4' energy: -25.259
flat angles C4'-P-C4' energy: -24.976
flat angles P-C4'-P energy: -22.840
tors. eta vs tors. theta energy: -34.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -442.187096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.187096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.187096 (E_RNA)
where:
Base-Base interactions energy: -299.652
where: short stacking energy: -125.200
Base-Backbone interact. energy: -0.226
local terms energy: -152.308708
where:
bonds (distance) C4'-P energy: -26.490
bonds (distance) P-C4' energy: -29.229
flat angles C4'-P-C4' energy: -28.478
flat angles P-C4'-P energy: -23.811
tors. eta vs tors. theta energy: -44.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -404.323183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.323183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.323183 (E_RNA)
where:
Base-Base interactions energy: -287.729
where: short stacking energy: -116.104
Base-Backbone interact. energy: -0.043
local terms energy: -126.551767
where:
bonds (distance) C4'-P energy: -24.000
bonds (distance) P-C4' energy: -28.661
flat angles C4'-P-C4' energy: -24.084
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -32.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -287.257820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.257820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.257820 (E_RNA)
where:
Base-Base interactions energy: -189.102
where: short stacking energy: -88.829
Base-Backbone interact. energy: 1.458
local terms energy: -109.614158
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -23.390
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -27.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -495.669821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.669821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.669821 (E_RNA)
where:
Base-Base interactions energy: -347.902
where: short stacking energy: -151.093
Base-Backbone interact. energy: -0.086
local terms energy: -157.681104
where:
bonds (distance) C4'-P energy: -25.087
bonds (distance) P-C4' energy: -28.359
flat angles C4'-P-C4' energy: -32.654
flat angles P-C4'-P energy: -22.502
tors. eta vs tors. theta energy: -49.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -487.919335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.919335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.919335 (E_RNA)
where:
Base-Base interactions energy: -356.163
where: short stacking energy: -143.177
Base-Backbone interact. energy: -0.177
local terms energy: -141.579012
where:
bonds (distance) C4'-P energy: -20.744
bonds (distance) P-C4' energy: -30.423
flat angles C4'-P-C4' energy: -29.198
flat angles P-C4'-P energy: -19.199
tors. eta vs tors. theta energy: -42.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -479.385497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.385497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.385497 (E_RNA)
where:
Base-Base interactions energy: -336.685
where: short stacking energy: -140.322
Base-Backbone interact. energy: -0.104
local terms energy: -152.596351
where:
bonds (distance) C4'-P energy: -26.242
bonds (distance) P-C4' energy: -23.879
flat angles C4'-P-C4' energy: -31.331
flat angles P-C4'-P energy: -23.376
tors. eta vs tors. theta energy: -47.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -478.570191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.570191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.570191 (E_RNA)
where:
Base-Base interactions energy: -342.444
where: short stacking energy: -139.204
Base-Backbone interact. energy: -0.580
local terms energy: -145.545700
where:
bonds (distance) C4'-P energy: -24.988
bonds (distance) P-C4' energy: -29.657
flat angles C4'-P-C4' energy: -30.619
flat angles P-C4'-P energy: -17.540
tors. eta vs tors. theta energy: -42.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -473.244823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.244823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.244823 (E_RNA)
where:
Base-Base interactions energy: -339.494
where: short stacking energy: -150.305
Base-Backbone interact. energy: -0.005
local terms energy: -143.746089
where:
bonds (distance) C4'-P energy: -26.549
bonds (distance) P-C4' energy: -24.451
flat angles C4'-P-C4' energy: -32.420
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -46.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -465.294482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.294482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.294482 (E_RNA)
where:
Base-Base interactions energy: -328.072
where: short stacking energy: -132.492
Base-Backbone interact. energy: -0.874
local terms energy: -146.348446
where:
bonds (distance) C4'-P energy: -25.749
bonds (distance) P-C4' energy: -24.776
flat angles C4'-P-C4' energy: -29.185
flat angles P-C4'-P energy: -22.077
tors. eta vs tors. theta energy: -44.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -455.425157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.425157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.425157 (E_RNA)
where:
Base-Base interactions energy: -324.919
where: short stacking energy: -134.335
Base-Backbone interact. energy: -0.115
local terms energy: -140.391087
where:
bonds (distance) C4'-P energy: -27.015
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -25.152
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -43.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -432.338201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.338201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.338201 (E_RNA)
where:
Base-Base interactions energy: -312.719
where: short stacking energy: -129.736
Base-Backbone interact. energy: 0.517
local terms energy: -130.136251
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -19.140
flat angles C4'-P-C4' energy: -27.402
flat angles P-C4'-P energy: -20.941
tors. eta vs tors. theta energy: -44.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -410.631441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.631441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.631441 (E_RNA)
where:
Base-Base interactions energy: -293.309
where: short stacking energy: -122.127
Base-Backbone interact. energy: -0.979
local terms energy: -126.343335
where:
bonds (distance) C4'-P energy: -18.408
bonds (distance) P-C4' energy: -26.026
flat angles C4'-P-C4' energy: -27.689
flat angles P-C4'-P energy: -16.874
tors. eta vs tors. theta energy: -37.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -268.054209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.054209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.054209 (E_RNA)
where:
Base-Base interactions energy: -171.322
where: short stacking energy: -86.135
Base-Backbone interact. energy: -0.165
local terms energy: -106.567239
where:
bonds (distance) C4'-P energy: -23.842
bonds (distance) P-C4' energy: -27.741
flat angles C4'-P-C4' energy: -22.529
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -23.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -501.298556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.298556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.298556 (E_RNA)
where:
Base-Base interactions energy: -358.972
where: short stacking energy: -154.059
Base-Backbone interact. energy: -1.010
local terms energy: -151.316546
where:
bonds (distance) C4'-P energy: -25.874
bonds (distance) P-C4' energy: -30.456
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -20.409
tors. eta vs tors. theta energy: -45.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -496.797354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.797354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.797354 (E_RNA)
where:
Base-Base interactions energy: -355.302
where: short stacking energy: -142.840
Base-Backbone interact. energy: -0.133
local terms energy: -151.362872
where:
bonds (distance) C4'-P energy: -26.628
bonds (distance) P-C4' energy: -27.234
flat angles C4'-P-C4' energy: -33.304
flat angles P-C4'-P energy: -24.335
tors. eta vs tors. theta energy: -39.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -481.314646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.314646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.314646 (E_RNA)
where:
Base-Base interactions energy: -337.142
where: short stacking energy: -135.108
Base-Backbone interact. energy: -0.605
local terms energy: -153.568439
where:
bonds (distance) C4'-P energy: -25.086
bonds (distance) P-C4' energy: -28.562
flat angles C4'-P-C4' energy: -31.002
flat angles P-C4'-P energy: -23.047
tors. eta vs tors. theta energy: -45.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -479.438419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.438419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.438419 (E_RNA)
where:
Base-Base interactions energy: -345.500
where: short stacking energy: -141.722
Base-Backbone interact. energy: -0.024
local terms energy: -143.914189
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -25.430
flat angles C4'-P-C4' energy: -32.192
flat angles P-C4'-P energy: -22.568
tors. eta vs tors. theta energy: -39.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -472.026595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.026595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.026595 (E_RNA)
where:
Base-Base interactions energy: -334.879
where: short stacking energy: -141.819
Base-Backbone interact. energy: -0.097
local terms energy: -147.051022
where:
bonds (distance) C4'-P energy: -24.593
bonds (distance) P-C4' energy: -25.690
flat angles C4'-P-C4' energy: -29.352
flat angles P-C4'-P energy: -21.324
tors. eta vs tors. theta energy: -46.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -460.000167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.000167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.000167 (E_RNA)
where:
Base-Base interactions energy: -327.228
where: short stacking energy: -129.373
Base-Backbone interact. energy: -0.803
local terms energy: -141.968411
where:
bonds (distance) C4'-P energy: -28.904
bonds (distance) P-C4' energy: -30.238
flat angles C4'-P-C4' energy: -27.538
flat angles P-C4'-P energy: -12.219
tors. eta vs tors. theta energy: -43.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -446.573226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.573226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.573226 (E_RNA)
where:
Base-Base interactions energy: -328.268
where: short stacking energy: -138.588
Base-Backbone interact. energy: 3.229
local terms energy: -131.533947
where:
bonds (distance) C4'-P energy: -22.879
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -24.306
flat angles P-C4'-P energy: -22.860
tors. eta vs tors. theta energy: -44.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -439.064172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.064172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.064172 (E_RNA)
where:
Base-Base interactions energy: -303.682
where: short stacking energy: -130.767
Base-Backbone interact. energy: -0.295
local terms energy: -145.087597
where:
bonds (distance) C4'-P energy: -24.253
bonds (distance) P-C4' energy: -27.760
flat angles C4'-P-C4' energy: -28.887
flat angles P-C4'-P energy: -20.024
tors. eta vs tors. theta energy: -44.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -425.435658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.435658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.435658 (E_RNA)
where:
Base-Base interactions energy: -302.361
where: short stacking energy: -125.574
Base-Backbone interact. energy: -0.552
local terms energy: -132.523615
where:
bonds (distance) C4'-P energy: -26.367
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -28.248
flat angles P-C4'-P energy: -23.067
tors. eta vs tors. theta energy: -34.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -299.300242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.300242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.300242 (E_RNA)
where:
Base-Base interactions energy: -204.166
where: short stacking energy: -83.378
Base-Backbone interact. energy: -0.464
local terms energy: -104.670307
where:
bonds (distance) C4'-P energy: -22.589
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -28.094
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -21.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -493.156524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.156524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.156524 (E_RNA)
where:
Base-Base interactions energy: -344.781
where: short stacking energy: -152.317
Base-Backbone interact. energy: -0.087
local terms energy: -158.289139
where:
bonds (distance) C4'-P energy: -28.722
bonds (distance) P-C4' energy: -28.180
flat angles C4'-P-C4' energy: -32.268
flat angles P-C4'-P energy: -23.039
tors. eta vs tors. theta energy: -46.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -492.317046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.317046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.317046 (E_RNA)
where:
Base-Base interactions energy: -350.438
where: short stacking energy: -141.052
Base-Backbone interact. energy: -0.108
local terms energy: -151.770797
where:
bonds (distance) C4'-P energy: -26.792
bonds (distance) P-C4' energy: -26.455
flat angles C4'-P-C4' energy: -29.196
flat angles P-C4'-P energy: -22.960
tors. eta vs tors. theta energy: -46.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -483.958713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.958713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.958713 (E_RNA)
where:
Base-Base interactions energy: -332.172
where: short stacking energy: -142.818
Base-Backbone interact. energy: -0.576
local terms energy: -161.210531
where:
bonds (distance) C4'-P energy: -29.513
bonds (distance) P-C4' energy: -28.807
flat angles C4'-P-C4' energy: -32.586
flat angles P-C4'-P energy: -24.180
tors. eta vs tors. theta energy: -46.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -467.065610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.065610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.065610 (E_RNA)
where:
Base-Base interactions energy: -335.557
where: short stacking energy: -140.788
Base-Backbone interact. energy: 1.080
local terms energy: -142.588296
where:
bonds (distance) C4'-P energy: -26.501
bonds (distance) P-C4' energy: -23.703
flat angles C4'-P-C4' energy: -27.912
flat angles P-C4'-P energy: -21.539
tors. eta vs tors. theta energy: -42.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -462.635605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.635605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.635605 (E_RNA)
where:
Base-Base interactions energy: -335.126
where: short stacking energy: -141.329
Base-Backbone interact. energy: -0.023
local terms energy: -137.487023
where:
bonds (distance) C4'-P energy: -30.366
bonds (distance) P-C4' energy: -27.284
flat angles C4'-P-C4' energy: -24.272
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -41.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -455.687627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.687627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.687627 (E_RNA)
where:
Base-Base interactions energy: -333.324
where: short stacking energy: -142.660
Base-Backbone interact. energy: -0.182
local terms energy: -132.181178
where:
bonds (distance) C4'-P energy: -20.653
bonds (distance) P-C4' energy: -23.821
flat angles C4'-P-C4' energy: -23.398
flat angles P-C4'-P energy: -22.888
tors. eta vs tors. theta energy: -41.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -449.953938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.953938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.953938 (E_RNA)
where:
Base-Base interactions energy: -324.021
where: short stacking energy: -135.013
Base-Backbone interact. energy: -0.004
local terms energy: -135.928552
where:
bonds (distance) C4'-P energy: -25.239
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -24.965
flat angles P-C4'-P energy: -19.956
tors. eta vs tors. theta energy: -41.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -438.391175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.391175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.391175 (E_RNA)
where:
Base-Base interactions energy: -319.758
where: short stacking energy: -131.558
Base-Backbone interact. energy: -0.424
local terms energy: -128.209927
where:
bonds (distance) C4'-P energy: -24.729
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -29.776
flat angles P-C4'-P energy: -18.787
tors. eta vs tors. theta energy: -38.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -412.896975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.896975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.896975 (E_RNA)
where:
Base-Base interactions energy: -303.350
where: short stacking energy: -119.731
Base-Backbone interact. energy: -0.076
local terms energy: -119.470572
where:
bonds (distance) C4'-P energy: -20.323
bonds (distance) P-C4' energy: -21.863
flat angles C4'-P-C4' energy: -27.271
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -36.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -284.826955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.826955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.826955 (E_RNA)
where:
Base-Base interactions energy: -187.693
where: short stacking energy: -91.880
Base-Backbone interact. energy: -0.466
local terms energy: -106.668025
where:
bonds (distance) C4'-P energy: -20.729
bonds (distance) P-C4' energy: -24.515
flat angles C4'-P-C4' energy: -26.230
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -22.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -496.151023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.151023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.151023 (E_RNA)
where:
Base-Base interactions energy: -359.435
where: short stacking energy: -156.459
Base-Backbone interact. energy: -0.006
local terms energy: -146.709963
where:
bonds (distance) C4'-P energy: -25.849
bonds (distance) P-C4' energy: -25.995
flat angles C4'-P-C4' energy: -29.592
flat angles P-C4'-P energy: -20.303
tors. eta vs tors. theta energy: -44.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -491.880851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.880851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.880851 (E_RNA)
where:
Base-Base interactions energy: -353.551
where: short stacking energy: -147.491
Base-Backbone interact. energy: -0.108
local terms energy: -148.221469
where:
bonds (distance) C4'-P energy: -26.477
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -29.908
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -48.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -481.611411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.611411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.611411 (E_RNA)
where:
Base-Base interactions energy: -335.736
where: short stacking energy: -146.387
Base-Backbone interact. energy: -0.889
local terms energy: -154.986333
where:
bonds (distance) C4'-P energy: -27.074
bonds (distance) P-C4' energy: -23.384
flat angles C4'-P-C4' energy: -33.351
flat angles P-C4'-P energy: -26.419
tors. eta vs tors. theta energy: -44.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -472.247706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.247706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.247706 (E_RNA)
where:
Base-Base interactions energy: -335.252
where: short stacking energy: -143.883
Base-Backbone interact. energy: -0.006
local terms energy: -146.989190
where:
bonds (distance) C4'-P energy: -28.463
bonds (distance) P-C4' energy: -20.793
flat angles C4'-P-C4' energy: -31.423
flat angles P-C4'-P energy: -21.116
tors. eta vs tors. theta energy: -45.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -471.012710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.012710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.012710 (E_RNA)
where:
Base-Base interactions energy: -342.773
where: short stacking energy: -149.861
Base-Backbone interact. energy: -0.229
local terms energy: -138.010303
where:
bonds (distance) C4'-P energy: -21.559
bonds (distance) P-C4' energy: -23.167
flat angles C4'-P-C4' energy: -29.631
flat angles P-C4'-P energy: -17.757
tors. eta vs tors. theta energy: -45.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -453.167751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.167751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.167751 (E_RNA)
where:
Base-Base interactions energy: -328.017
where: short stacking energy: -144.354
Base-Backbone interact. energy: -0.630
local terms energy: -134.519835
where:
bonds (distance) C4'-P energy: -19.650
bonds (distance) P-C4' energy: -25.362
flat angles C4'-P-C4' energy: -24.314
flat angles P-C4'-P energy: -19.802
tors. eta vs tors. theta energy: -45.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -437.753201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.753201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.753201 (E_RNA)
where:
Base-Base interactions energy: -317.025
where: short stacking energy: -135.618
Base-Backbone interact. energy: 0.516
local terms energy: -131.244533
where:
bonds (distance) C4'-P energy: -24.503
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -24.123
flat angles P-C4'-P energy: -21.216
tors. eta vs tors. theta energy: -42.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -425.715731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.715731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.715731 (E_RNA)
where:
Base-Base interactions energy: -307.327
where: short stacking energy: -130.115
Base-Backbone interact. energy: -0.020
local terms energy: -128.368261
where:
bonds (distance) C4'-P energy: -24.275
bonds (distance) P-C4' energy: -23.330
flat angles C4'-P-C4' energy: -28.727
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -36.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -435.649460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.649460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.649460 (E_RNA)
where:
Base-Base interactions energy: -321.496
where: short stacking energy: -128.159
Base-Backbone interact. energy: -0.039
local terms energy: -124.115032
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -22.348
flat angles C4'-P-C4' energy: -26.160
flat angles P-C4'-P energy: -14.328
tors. eta vs tors. theta energy: -40.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -295.741711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.741711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.741711 (E_RNA)
where:
Base-Base interactions energy: -196.922
where: short stacking energy: -90.459
Base-Backbone interact. energy: -0.653
local terms energy: -108.166187
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -27.406
flat angles C4'-P-C4' energy: -28.086
flat angles P-C4'-P energy: -17.096
tors. eta vs tors. theta energy: -22.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -495.258843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.258843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.258843 (E_RNA)
where:
Base-Base interactions energy: -357.009
where: short stacking energy: -158.785
Base-Backbone interact. energy: -0.003
local terms energy: -148.247079
where:
bonds (distance) C4'-P energy: -23.200
bonds (distance) P-C4' energy: -27.784
flat angles C4'-P-C4' energy: -30.068
flat angles P-C4'-P energy: -23.586
tors. eta vs tors. theta energy: -43.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -484.907914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.907914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.907914 (E_RNA)
where:
Base-Base interactions energy: -342.512
where: short stacking energy: -142.410
Base-Backbone interact. energy: 0.113
local terms energy: -152.509609
where:
bonds (distance) C4'-P energy: -29.897
bonds (distance) P-C4' energy: -28.574
flat angles C4'-P-C4' energy: -31.045
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: -42.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -481.801172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.801172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.801172 (E_RNA)
where:
Base-Base interactions energy: -346.221
where: short stacking energy: -144.050
Base-Backbone interact. energy: -1.028
local terms energy: -144.552115
where:
bonds (distance) C4'-P energy: -27.147
bonds (distance) P-C4' energy: -22.602
flat angles C4'-P-C4' energy: -27.199
flat angles P-C4'-P energy: -21.622
tors. eta vs tors. theta energy: -45.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -469.879279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.879279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.879279 (E_RNA)
where:
Base-Base interactions energy: -332.393
where: short stacking energy: -136.441
Base-Backbone interact. energy: -0.950
local terms energy: -146.536260
where:
bonds (distance) C4'-P energy: -25.264
bonds (distance) P-C4' energy: -25.384
flat angles C4'-P-C4' energy: -28.474
flat angles P-C4'-P energy: -20.117
tors. eta vs tors. theta energy: -47.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -458.256190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.256190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.256190 (E_RNA)
where:
Base-Base interactions energy: -331.597
where: short stacking energy: -132.592
Base-Backbone interact. energy: -0.325
local terms energy: -136.334301
where:
bonds (distance) C4'-P energy: -19.919
bonds (distance) P-C4' energy: -27.061
flat angles C4'-P-C4' energy: -29.999
flat angles P-C4'-P energy: -16.815
tors. eta vs tors. theta energy: -42.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -449.373901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.373901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.373901 (E_RNA)
where:
Base-Base interactions energy: -317.628
where: short stacking energy: -127.356
Base-Backbone interact. energy: -0.776
local terms energy: -140.969995
where:
bonds (distance) C4'-P energy: -23.995
bonds (distance) P-C4' energy: -27.678
flat angles C4'-P-C4' energy: -25.748
flat angles P-C4'-P energy: -20.069
tors. eta vs tors. theta energy: -43.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -451.262759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.262759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.262759 (E_RNA)
where:
Base-Base interactions energy: -328.921
where: short stacking energy: -123.279
Base-Backbone interact. energy: 0.454
local terms energy: -132.795964
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -30.215
flat angles P-C4'-P energy: -18.360
tors. eta vs tors. theta energy: -39.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -418.180851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.180851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.180851 (E_RNA)
where:
Base-Base interactions energy: -298.929
where: short stacking energy: -120.325
Base-Backbone interact. energy: -1.072
local terms energy: -128.180033
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -26.770
flat angles C4'-P-C4' energy: -27.487
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -42.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -409.353787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.353787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.353787 (E_RNA)
where:
Base-Base interactions energy: -297.995
where: short stacking energy: -118.561
Base-Backbone interact. energy: -0.165
local terms energy: -121.194047
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -26.068
flat angles C4'-P-C4' energy: -26.406
flat angles P-C4'-P energy: -13.679
tors. eta vs tors. theta energy: -37.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -303.496063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.496063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.496063 (E_RNA)
where:
Base-Base interactions energy: -205.036
where: short stacking energy: -78.911
Base-Backbone interact. energy: 2.343
local terms energy: -110.802878
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -24.624
flat angles C4'-P-C4' energy: -31.235
flat angles P-C4'-P energy: -17.670
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -492.728102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.728102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.728102 (E_RNA)
where:
Base-Base interactions energy: -352.282
where: short stacking energy: -143.702
Base-Backbone interact. energy: -0.005
local terms energy: -150.440792
where:
bonds (distance) C4'-P energy: -26.120
bonds (distance) P-C4' energy: -28.263
flat angles C4'-P-C4' energy: -29.880
flat angles P-C4'-P energy: -20.808
tors. eta vs tors. theta energy: -45.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -492.182207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.182207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.182207 (E_RNA)
where:
Base-Base interactions energy: -349.887
where: short stacking energy: -149.340
Base-Backbone interact. energy: -0.687
local terms energy: -151.608734
where:
bonds (distance) C4'-P energy: -26.538
bonds (distance) P-C4' energy: -26.905
flat angles C4'-P-C4' energy: -27.713
flat angles P-C4'-P energy: -24.490
tors. eta vs tors. theta energy: -45.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -495.415329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.415329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.415329 (E_RNA)
where:
Base-Base interactions energy: -354.038
where: short stacking energy: -154.801
Base-Backbone interact. energy: -0.689
local terms energy: -150.687501
where:
bonds (distance) C4'-P energy: -20.732
bonds (distance) P-C4' energy: -29.868
flat angles C4'-P-C4' energy: -28.562
flat angles P-C4'-P energy: -25.927
tors. eta vs tors. theta energy: -45.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -472.941254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.941254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.941254 (E_RNA)
where:
Base-Base interactions energy: -331.571
where: short stacking energy: -138.053
Base-Backbone interact. energy: -0.092
local terms energy: -151.277505
where:
bonds (distance) C4'-P energy: -28.646
bonds (distance) P-C4' energy: -24.167
flat angles C4'-P-C4' energy: -30.581
flat angles P-C4'-P energy: -22.763
tors. eta vs tors. theta energy: -45.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -472.560324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.560324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.560324 (E_RNA)
where:
Base-Base interactions energy: -332.018
where: short stacking energy: -142.500
Base-Backbone interact. energy: -0.056
local terms energy: -150.486408
where:
bonds (distance) C4'-P energy: -26.320
bonds (distance) P-C4' energy: -26.799
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -19.927
tors. eta vs tors. theta energy: -46.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -463.323217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.323217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.323217 (E_RNA)
where:
Base-Base interactions energy: -346.598
where: short stacking energy: -136.911
Base-Backbone interact. energy: -1.175
local terms energy: -125.550089
where:
bonds (distance) C4'-P energy: -19.236
bonds (distance) P-C4' energy: -23.074
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: -42.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -434.509484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.509484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.509484 (E_RNA)
where:
Base-Base interactions energy: -310.726
where: short stacking energy: -122.026
Base-Backbone interact. energy: 0.739
local terms energy: -134.522540
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -28.185
flat angles C4'-P-C4' energy: -31.495
flat angles P-C4'-P energy: -20.473
tors. eta vs tors. theta energy: -37.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -432.528883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.528883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.528883 (E_RNA)
where:
Base-Base interactions energy: -305.380
where: short stacking energy: -126.741
Base-Backbone interact. energy: -0.348
local terms energy: -136.801079
where:
bonds (distance) C4'-P energy: -21.329
bonds (distance) P-C4' energy: -30.200
flat angles C4'-P-C4' energy: -28.029
flat angles P-C4'-P energy: -17.384
tors. eta vs tors. theta energy: -39.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -423.456812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.456812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.456812 (E_RNA)
where:
Base-Base interactions energy: -304.138
where: short stacking energy: -124.754
Base-Backbone interact. energy: -0.191
local terms energy: -129.128389
where:
bonds (distance) C4'-P energy: -27.342
bonds (distance) P-C4' energy: -22.860
flat angles C4'-P-C4' energy: -27.124
flat angles P-C4'-P energy: -19.318
tors. eta vs tors. theta energy: -32.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -276.517688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.517688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.517688 (E_RNA)
where:
Base-Base interactions energy: -178.943
where: short stacking energy: -78.488
Base-Backbone interact. energy: 1.316
local terms energy: -108.890566
where:
bonds (distance) C4'-P energy: -21.651
bonds (distance) P-C4' energy: -23.879
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -16.814
tors. eta vs tors. theta energy: -25.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -489.282782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.282782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.282782 (E_RNA)
where:
Base-Base interactions energy: -351.723
where: short stacking energy: -146.209
Base-Backbone interact. energy: -0.616
local terms energy: -146.944264
where:
bonds (distance) C4'-P energy: -24.432
bonds (distance) P-C4' energy: -24.541
flat angles C4'-P-C4' energy: -30.516
flat angles P-C4'-P energy: -23.180
tors. eta vs tors. theta energy: -44.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -486.498712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.498712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.498712 (E_RNA)
where:
Base-Base interactions energy: -345.145
where: short stacking energy: -143.257
Base-Backbone interact. energy: -0.872
local terms energy: -150.481895
where:
bonds (distance) C4'-P energy: -25.645
bonds (distance) P-C4' energy: -27.183
flat angles C4'-P-C4' energy: -27.879
flat angles P-C4'-P energy: -22.562
tors. eta vs tors. theta energy: -47.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -480.135886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.135886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.135886 (E_RNA)
where:
Base-Base interactions energy: -340.465
where: short stacking energy: -148.056
Base-Backbone interact. energy: -0.020
local terms energy: -149.650672
where:
bonds (distance) C4'-P energy: -23.303
bonds (distance) P-C4' energy: -30.235
flat angles C4'-P-C4' energy: -29.436
flat angles P-C4'-P energy: -21.299
tors. eta vs tors. theta energy: -45.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -471.691281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.691281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.691281 (E_RNA)
where:
Base-Base interactions energy: -336.558
where: short stacking energy: -146.383
Base-Backbone interact. energy: 1.631
local terms energy: -146.763824
where:
bonds (distance) C4'-P energy: -29.926
bonds (distance) P-C4' energy: -23.810
flat angles C4'-P-C4' energy: -30.937
flat angles P-C4'-P energy: -19.503
tors. eta vs tors. theta energy: -42.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -464.605350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.605350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.605350 (E_RNA)
where:
Base-Base interactions energy: -327.712
where: short stacking energy: -134.855
Base-Backbone interact. energy: -0.648
local terms energy: -146.245145
where:
bonds (distance) C4'-P energy: -20.642
bonds (distance) P-C4' energy: -30.137
flat angles C4'-P-C4' energy: -32.574
flat angles P-C4'-P energy: -20.474
tors. eta vs tors. theta energy: -42.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -443.862720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.862720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.862720 (E_RNA)
where:
Base-Base interactions energy: -318.677
where: short stacking energy: -128.556
Base-Backbone interact. energy: -0.199
local terms energy: -134.986534
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -23.930
flat angles C4'-P-C4' energy: -29.251
flat angles P-C4'-P energy: -23.389
tors. eta vs tors. theta energy: -37.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -443.669730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.669730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.669730 (E_RNA)
where:
Base-Base interactions energy: -326.737
where: short stacking energy: -132.460
Base-Backbone interact. energy: -0.147
local terms energy: -126.784792
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -24.718
flat angles C4'-P-C4' energy: -23.268
flat angles P-C4'-P energy: -18.243
tors. eta vs tors. theta energy: -38.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -451.639510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.639510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.639510 (E_RNA)
where:
Base-Base interactions energy: -324.687
where: short stacking energy: -138.513
Base-Backbone interact. energy: -0.111
local terms energy: -136.841147
where:
bonds (distance) C4'-P energy: -21.996
bonds (distance) P-C4' energy: -26.898
flat angles C4'-P-C4' energy: -26.094
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -42.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -425.481712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.481712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.481712 (E_RNA)
where:
Base-Base interactions energy: -311.272
where: short stacking energy: -118.403
Base-Backbone interact. energy: 0.971
local terms energy: -125.179922
where:
bonds (distance) C4'-P energy: -22.715
bonds (distance) P-C4' energy: -25.905
flat angles C4'-P-C4' energy: -27.650
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -37.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -277.302033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.302033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.302033 (E_RNA)
where:
Base-Base interactions energy: -169.358
where: short stacking energy: -65.192
Base-Backbone interact. energy: -0.268
local terms energy: -117.676660
where:
bonds (distance) C4'-P energy: -25.204
bonds (distance) P-C4' energy: -29.976
flat angles C4'-P-C4' energy: -25.652
flat angles P-C4'-P energy: -15.679
tors. eta vs tors. theta energy: -21.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -504.787366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.787366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.787366 (E_RNA)
where:
Base-Base interactions energy: -355.509
where: short stacking energy: -152.699
Base-Backbone interact. energy: -0.037
local terms energy: -159.240898
where:
bonds (distance) C4'-P energy: -26.173
bonds (distance) P-C4' energy: -30.205
flat angles C4'-P-C4' energy: -31.970
flat angles P-C4'-P energy: -24.034
tors. eta vs tors. theta energy: -46.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -489.153793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.153793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.153793 (E_RNA)
where:
Base-Base interactions energy: -351.279
where: short stacking energy: -154.035
Base-Backbone interact. energy: -0.001
local terms energy: -147.874070
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -29.957
flat angles C4'-P-C4' energy: -30.514
flat angles P-C4'-P energy: -20.711
tors. eta vs tors. theta energy: -44.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -475.665477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.665477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.665477 (E_RNA)
where:
Base-Base interactions energy: -352.275
where: short stacking energy: -146.702
Base-Backbone interact. energy: -0.002
local terms energy: -133.388469
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -21.839
flat angles C4'-P-C4' energy: -29.477
flat angles P-C4'-P energy: -21.314
tors. eta vs tors. theta energy: -43.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -479.359924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.359924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.359924 (E_RNA)
where:
Base-Base interactions energy: -344.104
where: short stacking energy: -137.313
Base-Backbone interact. energy: 0.072
local terms energy: -145.328111
where:
bonds (distance) C4'-P energy: -25.067
bonds (distance) P-C4' energy: -29.738
flat angles C4'-P-C4' energy: -31.511
flat angles P-C4'-P energy: -18.070
tors. eta vs tors. theta energy: -40.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -475.595585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.595585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.595585 (E_RNA)
where:
Base-Base interactions energy: -341.760
where: short stacking energy: -142.532
Base-Backbone interact. energy: -0.528
local terms energy: -143.308223
where:
bonds (distance) C4'-P energy: -20.915
bonds (distance) P-C4' energy: -27.900
flat angles C4'-P-C4' energy: -28.936
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -45.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -469.237459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.237459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.237459 (E_RNA)
where:
Base-Base interactions energy: -340.770
where: short stacking energy: -134.584
Base-Backbone interact. energy: -0.325
local terms energy: -138.142777
where:
bonds (distance) C4'-P energy: -24.067
bonds (distance) P-C4' energy: -26.357
flat angles C4'-P-C4' energy: -27.461
flat angles P-C4'-P energy: -19.818
tors. eta vs tors. theta energy: -40.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -446.193791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.193791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.193791 (E_RNA)
where:
Base-Base interactions energy: -329.736
where: short stacking energy: -135.921
Base-Backbone interact. energy: -0.023
local terms energy: -126.434115
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -25.629
flat angles C4'-P-C4' energy: -26.407
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -44.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -449.576404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.576404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.576404 (E_RNA)
where:
Base-Base interactions energy: -325.758
where: short stacking energy: -131.074
Base-Backbone interact. energy: 0.314
local terms energy: -134.132308
where:
bonds (distance) C4'-P energy: -23.704
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -29.031
flat angles P-C4'-P energy: -22.639
tors. eta vs tors. theta energy: -38.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -413.455107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.455107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.455107 (E_RNA)
where:
Base-Base interactions energy: -305.814
where: short stacking energy: -121.265
Base-Backbone interact. energy: -0.135
local terms energy: -117.506337
where:
bonds (distance) C4'-P energy: -22.540
bonds (distance) P-C4' energy: -31.132
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -31.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -277.954382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.954382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.954382 (E_RNA)
where:
Base-Base interactions energy: -188.322
where: short stacking energy: -85.024
Base-Backbone interact. energy: -0.085
local terms energy: -99.547552
where:
bonds (distance) C4'-P energy: -22.096
bonds (distance) P-C4' energy: -25.721
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -14.618
tors. eta vs tors. theta energy: -18.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -495.706012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.706012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.706012 (E_RNA)
where:
Base-Base interactions energy: -353.609
where: short stacking energy: -148.151
Base-Backbone interact. energy: -0.013
local terms energy: -152.083429
where:
bonds (distance) C4'-P energy: -29.597
bonds (distance) P-C4' energy: -25.583
flat angles C4'-P-C4' energy: -29.831
flat angles P-C4'-P energy: -21.325
tors. eta vs tors. theta energy: -45.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -495.479613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.479613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.479613 (E_RNA)
where:
Base-Base interactions energy: -359.150
where: short stacking energy: -153.740
Base-Backbone interact. energy: -0.798
local terms energy: -145.531887
where:
bonds (distance) C4'-P energy: -24.067
bonds (distance) P-C4' energy: -27.471
flat angles C4'-P-C4' energy: -30.423
flat angles P-C4'-P energy: -18.470
tors. eta vs tors. theta energy: -45.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -478.249854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.249854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.249854 (E_RNA)
where:
Base-Base interactions energy: -347.211
where: short stacking energy: -139.802
Base-Backbone interact. energy: -0.016
local terms energy: -141.022399
where:
bonds (distance) C4'-P energy: -23.614
bonds (distance) P-C4' energy: -23.731
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -25.395
tors. eta vs tors. theta energy: -42.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -473.323495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.323495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.323495 (E_RNA)
where:
Base-Base interactions energy: -342.931
where: short stacking energy: -140.813
Base-Backbone interact. energy: -0.684
local terms energy: -139.708276
where:
bonds (distance) C4'-P energy: -28.532
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -24.561
flat angles P-C4'-P energy: -21.832
tors. eta vs tors. theta energy: -43.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -469.838556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.838556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.838556 (E_RNA)
where:
Base-Base interactions energy: -348.315
where: short stacking energy: -141.055
Base-Backbone interact. energy: -0.144
local terms energy: -131.379786
where:
bonds (distance) C4'-P energy: -22.638
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -29.980
flat angles P-C4'-P energy: -18.404
tors. eta vs tors. theta energy: -39.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -458.463479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.463479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.463479 (E_RNA)
where:
Base-Base interactions energy: -334.326
where: short stacking energy: -139.437
Base-Backbone interact. energy: -0.006
local terms energy: -134.131372
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -29.579
flat angles P-C4'-P energy: -19.438
tors. eta vs tors. theta energy: -43.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -436.213339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.213339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.213339 (E_RNA)
where:
Base-Base interactions energy: -310.172
where: short stacking energy: -131.950
Base-Backbone interact. energy: -0.110
local terms energy: -135.930941
where:
bonds (distance) C4'-P energy: -24.139
bonds (distance) P-C4' energy: -28.276
flat angles C4'-P-C4' energy: -24.903
flat angles P-C4'-P energy: -19.061
tors. eta vs tors. theta energy: -39.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -432.013612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.013612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.013612 (E_RNA)
where:
Base-Base interactions energy: -310.918
where: short stacking energy: -132.383
Base-Backbone interact. energy: -0.434
local terms energy: -130.661907
where:
bonds (distance) C4'-P energy: -20.509
bonds (distance) P-C4' energy: -22.492
flat angles C4'-P-C4' energy: -29.991
flat angles P-C4'-P energy: -22.197
tors. eta vs tors. theta energy: -35.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -414.059921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.059921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.059921 (E_RNA)
where:
Base-Base interactions energy: -302.200
where: short stacking energy: -126.870
Base-Backbone interact. energy: 0.417
local terms energy: -122.276637
where:
bonds (distance) C4'-P energy: -20.158
bonds (distance) P-C4' energy: -26.529
flat angles C4'-P-C4' energy: -21.023
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -40.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -193.802944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.802944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.802944 (E_RNA)
where:
Base-Base interactions energy: -112.522
where: short stacking energy: -48.041
Base-Backbone interact. energy: -0.599
local terms energy: -90.681643
where:
bonds (distance) C4'-P energy: -21.312
bonds (distance) P-C4' energy: -24.828
flat angles C4'-P-C4' energy: -22.727
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -8.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -489.659396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.659396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.659396 (E_RNA)
where:
Base-Base interactions energy: -342.468
where: short stacking energy: -151.925
Base-Backbone interact. energy: -0.004
local terms energy: -157.188089
where:
bonds (distance) C4'-P energy: -27.856
bonds (distance) P-C4' energy: -25.518
flat angles C4'-P-C4' energy: -33.075
flat angles P-C4'-P energy: -25.195
tors. eta vs tors. theta energy: -45.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -484.173489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.173489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.173489 (E_RNA)
where:
Base-Base interactions energy: -343.039
where: short stacking energy: -144.086
Base-Backbone interact. energy: -0.857
local terms energy: -150.277915
where:
bonds (distance) C4'-P energy: -29.519
bonds (distance) P-C4' energy: -28.134
flat angles C4'-P-C4' energy: -26.893
flat angles P-C4'-P energy: -19.898
tors. eta vs tors. theta energy: -45.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -487.577731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.577731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.577731 (E_RNA)
where:
Base-Base interactions energy: -352.636
where: short stacking energy: -145.464
Base-Backbone interact. energy: -0.228
local terms energy: -144.713247
where:
bonds (distance) C4'-P energy: -26.161
bonds (distance) P-C4' energy: -24.476
flat angles C4'-P-C4' energy: -31.993
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -43.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -473.227447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.227447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.227447 (E_RNA)
where:
Base-Base interactions energy: -339.738
where: short stacking energy: -134.794
Base-Backbone interact. energy: -0.628
local terms energy: -142.860952
where:
bonds (distance) C4'-P energy: -26.307
bonds (distance) P-C4' energy: -28.781
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: -40.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -477.972935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.972935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.972935 (E_RNA)
where:
Base-Base interactions energy: -347.958
where: short stacking energy: -145.708
Base-Backbone interact. energy: -0.042
local terms energy: -139.973547
where:
bonds (distance) C4'-P energy: -22.460
bonds (distance) P-C4' energy: -19.755
flat angles C4'-P-C4' energy: -32.131
flat angles P-C4'-P energy: -20.974
tors. eta vs tors. theta energy: -44.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -446.885276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.885276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.885276 (E_RNA)
where:
Base-Base interactions energy: -322.762
where: short stacking energy: -136.776
Base-Backbone interact. energy: -0.085
local terms energy: -134.038337
where:
bonds (distance) C4'-P energy: -23.975
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -39.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -430.526034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.526034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.526034 (E_RNA)
where:
Base-Base interactions energy: -304.607
where: short stacking energy: -140.905
Base-Backbone interact. energy: -0.013
local terms energy: -135.905797
where:
bonds (distance) C4'-P energy: -23.759
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -29.774
flat angles P-C4'-P energy: -16.132
tors. eta vs tors. theta energy: -40.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -418.944276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.944276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.944276 (E_RNA)
where:
Base-Base interactions energy: -301.599
where: short stacking energy: -119.498
Base-Backbone interact. energy: -0.209
local terms energy: -127.136374
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -24.607
flat angles C4'-P-C4' energy: -26.578
flat angles P-C4'-P energy: -19.819
tors. eta vs tors. theta energy: -37.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -403.721305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.721305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.721305 (E_RNA)
where:
Base-Base interactions energy: -289.814
where: short stacking energy: -116.681
Base-Backbone interact. energy: -0.232
local terms energy: -123.675313
where:
bonds (distance) C4'-P energy: -18.888
bonds (distance) P-C4' energy: -25.856
flat angles C4'-P-C4' energy: -26.346
flat angles P-C4'-P energy: -15.609
tors. eta vs tors. theta energy: -36.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -201.048081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.048081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.048081 (E_RNA)
where:
Base-Base interactions energy: -120.805
where: short stacking energy: -59.684
Base-Backbone interact. energy: -0.664
local terms energy: -89.579246
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -28.808
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -14.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -498.692325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.692325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.692325 (E_RNA)
where:
Base-Base interactions energy: -353.094
where: short stacking energy: -145.332
Base-Backbone interact. energy: -0.625
local terms energy: -154.973501
where:
bonds (distance) C4'-P energy: -30.427
bonds (distance) P-C4' energy: -31.268
flat angles C4'-P-C4' energy: -30.539
flat angles P-C4'-P energy: -21.978
tors. eta vs tors. theta energy: -40.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -493.322723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.322723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.322723 (E_RNA)
where:
Base-Base interactions energy: -352.364
where: short stacking energy: -140.937
Base-Backbone interact. energy: -0.097
local terms energy: -150.861520
where:
bonds (distance) C4'-P energy: -28.385
bonds (distance) P-C4' energy: -27.550
flat angles C4'-P-C4' energy: -29.276
flat angles P-C4'-P energy: -21.878
tors. eta vs tors. theta energy: -43.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -479.870460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.870460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.870460 (E_RNA)
where:
Base-Base interactions energy: -339.396
where: short stacking energy: -133.108
Base-Backbone interact. energy: -0.976
local terms energy: -149.498904
where:
bonds (distance) C4'-P energy: -26.900
bonds (distance) P-C4' energy: -26.691
flat angles C4'-P-C4' energy: -28.979
flat angles P-C4'-P energy: -22.517
tors. eta vs tors. theta energy: -44.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -474.791763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.791763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.791763 (E_RNA)
where:
Base-Base interactions energy: -343.224
where: short stacking energy: -138.731
Base-Backbone interact. energy: -0.070
local terms energy: -141.497444
where:
bonds (distance) C4'-P energy: -23.041
bonds (distance) P-C4' energy: -24.038
flat angles C4'-P-C4' energy: -28.470
flat angles P-C4'-P energy: -22.085
tors. eta vs tors. theta energy: -43.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -462.128475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.128475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.128475 (E_RNA)
where:
Base-Base interactions energy: -334.645
where: short stacking energy: -135.267
Base-Backbone interact. energy: -0.290
local terms energy: -137.193595
where:
bonds (distance) C4'-P energy: -19.612
bonds (distance) P-C4' energy: -25.063
flat angles C4'-P-C4' energy: -29.836
flat angles P-C4'-P energy: -20.540
tors. eta vs tors. theta energy: -42.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -460.223557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.223557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.223557 (E_RNA)
where:
Base-Base interactions energy: -326.168
where: short stacking energy: -136.883
Base-Backbone interact. energy: 1.482
local terms energy: -145.537683
where:
bonds (distance) C4'-P energy: -26.544
bonds (distance) P-C4' energy: -26.690
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -22.767
tors. eta vs tors. theta energy: -41.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -434.124061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.124061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.124061 (E_RNA)
where:
Base-Base interactions energy: -313.722
where: short stacking energy: -134.886
Base-Backbone interact. energy: 1.494
local terms energy: -131.896116
where:
bonds (distance) C4'-P energy: -24.702
bonds (distance) P-C4' energy: -26.518
flat angles C4'-P-C4' energy: -24.354
flat angles P-C4'-P energy: -19.490
tors. eta vs tors. theta energy: -36.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -388.233089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.233089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.233089 (E_RNA)
where:
Base-Base interactions energy: -277.958
where: short stacking energy: -118.237
Base-Backbone interact. energy: 0.148
local terms energy: -120.422655
where:
bonds (distance) C4'-P energy: -24.460
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -28.464
flat angles P-C4'-P energy: -17.692
tors. eta vs tors. theta energy: -34.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -418.620217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.620217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.620217 (E_RNA)
where:
Base-Base interactions energy: -314.590
where: short stacking energy: -131.804
Base-Backbone interact. energy: -0.713
local terms energy: -113.317357
where:
bonds (distance) C4'-P energy: -17.242
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -25.398
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -39.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -211.769926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.769926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.769926 (E_RNA)
where:
Base-Base interactions energy: -129.210
where: short stacking energy: -56.538
Base-Backbone interact. energy: -1.272
local terms energy: -91.288027
where:
bonds (distance) C4'-P energy: -23.420
bonds (distance) P-C4' energy: -20.309
flat angles C4'-P-C4' energy: -24.921
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -8.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -503.657081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.657081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.657081 (E_RNA)
where:
Base-Base interactions energy: -359.588
where: short stacking energy: -153.336
Base-Backbone interact. energy: -1.804
local terms energy: -152.264650
where:
bonds (distance) C4'-P energy: -26.555
bonds (distance) P-C4' energy: -28.135
flat angles C4'-P-C4' energy: -30.496
flat angles P-C4'-P energy: -21.936
tors. eta vs tors. theta energy: -45.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -484.835520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.835520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.835520 (E_RNA)
where:
Base-Base interactions energy: -353.555
where: short stacking energy: -139.240
Base-Backbone interact. energy: -0.148
local terms energy: -141.132748
where:
bonds (distance) C4'-P energy: -25.767
bonds (distance) P-C4' energy: -25.853
flat angles C4'-P-C4' energy: -25.618
flat angles P-C4'-P energy: -23.071
tors. eta vs tors. theta energy: -40.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -486.394377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.394377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.394377 (E_RNA)
where:
Base-Base interactions energy: -353.060
where: short stacking energy: -146.738
Base-Backbone interact. energy: -0.006
local terms energy: -143.328365
where:
bonds (distance) C4'-P energy: -21.223
bonds (distance) P-C4' energy: -26.298
flat angles C4'-P-C4' energy: -31.427
flat angles P-C4'-P energy: -18.852
tors. eta vs tors. theta energy: -45.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -473.655112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.655112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.655112 (E_RNA)
where:
Base-Base interactions energy: -342.048
where: short stacking energy: -144.012
Base-Backbone interact. energy: -0.218
local terms energy: -141.389556
where:
bonds (distance) C4'-P energy: -29.146
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -31.563
flat angles P-C4'-P energy: -18.462
tors. eta vs tors. theta energy: -42.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -472.740524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.740524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.740524 (E_RNA)
where:
Base-Base interactions energy: -343.713
where: short stacking energy: -142.314
Base-Backbone interact. energy: -1.019
local terms energy: -138.008503
where:
bonds (distance) C4'-P energy: -22.389
bonds (distance) P-C4' energy: -21.483
flat angles C4'-P-C4' energy: -31.145
flat angles P-C4'-P energy: -20.929
tors. eta vs tors. theta energy: -42.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -454.003621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.003621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.003621 (E_RNA)
where:
Base-Base interactions energy: -331.656
where: short stacking energy: -130.868
Base-Backbone interact. energy: -0.113
local terms energy: -132.234247
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -29.423
flat angles C4'-P-C4' energy: -27.721
flat angles P-C4'-P energy: -16.465
tors. eta vs tors. theta energy: -42.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -435.605300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.605300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.605300 (E_RNA)
where:
Base-Base interactions energy: -321.452
where: short stacking energy: -124.931
Base-Backbone interact. energy: -0.479
local terms energy: -123.674641
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -20.806
flat angles C4'-P-C4' energy: -29.725
flat angles P-C4'-P energy: -16.088
tors. eta vs tors. theta energy: -38.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -436.366457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.366457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.366457 (E_RNA)
where:
Base-Base interactions energy: -319.663
where: short stacking energy: -129.713
Base-Backbone interact. energy: -1.171
local terms energy: -125.532818
where:
bonds (distance) C4'-P energy: -21.201
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -23.331
flat angles P-C4'-P energy: -21.892
tors. eta vs tors. theta energy: -40.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -406.953161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.953161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.953161 (E_RNA)
where:
Base-Base interactions energy: -294.093
where: short stacking energy: -123.252
Base-Backbone interact. energy: -0.205
local terms energy: -122.655771
where:
bonds (distance) C4'-P energy: -24.744
bonds (distance) P-C4' energy: -26.082
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -14.924
tors. eta vs tors. theta energy: -35.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -227.580462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.580462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.580462 (E_RNA)
where:
Base-Base interactions energy: -139.910
where: short stacking energy: -72.137
Base-Backbone interact. energy: -1.359
local terms energy: -96.311646
where:
bonds (distance) C4'-P energy: -27.238
bonds (distance) P-C4' energy: -25.163
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -13.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -488.189187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.189187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.189187 (E_RNA)
where:
Base-Base interactions energy: -347.268
where: short stacking energy: -136.917
Base-Backbone interact. energy: -0.154
local terms energy: -150.767854
where:
bonds (distance) C4'-P energy: -28.647
bonds (distance) P-C4' energy: -27.748
flat angles C4'-P-C4' energy: -27.377
flat angles P-C4'-P energy: -23.413
tors. eta vs tors. theta energy: -43.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -483.317123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.317123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.317123 (E_RNA)
where:
Base-Base interactions energy: -346.858
where: short stacking energy: -142.285
Base-Backbone interact. energy: -0.160
local terms energy: -146.299006
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -29.879
flat angles C4'-P-C4' energy: -33.711
flat angles P-C4'-P energy: -22.828
tors. eta vs tors. theta energy: -41.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -485.217269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.217269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.217269 (E_RNA)
where:
Base-Base interactions energy: -342.225
where: short stacking energy: -143.629
Base-Backbone interact. energy: -0.002
local terms energy: -152.990518
where:
bonds (distance) C4'-P energy: -24.746
bonds (distance) P-C4' energy: -24.972
flat angles C4'-P-C4' energy: -33.330
flat angles P-C4'-P energy: -23.627
tors. eta vs tors. theta energy: -46.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -474.366267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.366267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.366267 (E_RNA)
where:
Base-Base interactions energy: -333.431
where: short stacking energy: -142.232
Base-Backbone interact. energy: 0.157
local terms energy: -151.092334
where:
bonds (distance) C4'-P energy: -26.792
bonds (distance) P-C4' energy: -27.057
flat angles C4'-P-C4' energy: -33.003
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -43.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -466.862030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.862030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.862030 (E_RNA)
where:
Base-Base interactions energy: -330.134
where: short stacking energy: -140.337
Base-Backbone interact. energy: -0.244
local terms energy: -146.484309
where:
bonds (distance) C4'-P energy: -24.017
bonds (distance) P-C4' energy: -29.816
flat angles C4'-P-C4' energy: -28.522
flat angles P-C4'-P energy: -18.828
tors. eta vs tors. theta energy: -45.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -451.639842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.639842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.639842 (E_RNA)
where:
Base-Base interactions energy: -327.323
where: short stacking energy: -136.413
Base-Backbone interact. energy: -0.032
local terms energy: -134.285159
where:
bonds (distance) C4'-P energy: -18.115
bonds (distance) P-C4' energy: -25.821
flat angles C4'-P-C4' energy: -29.309
flat angles P-C4'-P energy: -20.957
tors. eta vs tors. theta energy: -40.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -461.410450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.410450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.410450 (E_RNA)
where:
Base-Base interactions energy: -331.751
where: short stacking energy: -142.604
Base-Backbone interact. energy: -1.571
local terms energy: -138.088080
where:
bonds (distance) C4'-P energy: -26.433
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -30.636
flat angles P-C4'-P energy: -19.932
tors. eta vs tors. theta energy: -41.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -435.322949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.322949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.322949 (E_RNA)
where:
Base-Base interactions energy: -314.755
where: short stacking energy: -128.102
Base-Backbone interact. energy: -0.099
local terms energy: -130.468709
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -24.246
flat angles C4'-P-C4' energy: -30.053
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -41.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -418.630925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.630925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.630925 (E_RNA)
where:
Base-Base interactions energy: -309.894
where: short stacking energy: -127.403
Base-Backbone interact. energy: -0.150
local terms energy: -118.586233
where:
bonds (distance) C4'-P energy: -18.417
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -25.438
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -41.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -224.290427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.290427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.290427 (E_RNA)
where:
Base-Base interactions energy: -146.666
where: short stacking energy: -68.037
Base-Backbone interact. energy: -0.143
local terms energy: -87.482222
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -26.449
flat angles C4'-P-C4' energy: -23.101
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -14.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -492.690046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.690046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.690046 (E_RNA)
where:
Base-Base interactions energy: -357.812
where: short stacking energy: -149.103
Base-Backbone interact. energy: -0.021
local terms energy: -144.857624
where:
bonds (distance) C4'-P energy: -25.002
bonds (distance) P-C4' energy: -23.072
flat angles C4'-P-C4' energy: -29.438
flat angles P-C4'-P energy: -21.864
tors. eta vs tors. theta energy: -45.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -485.846966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.846966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.846966 (E_RNA)
where:
Base-Base interactions energy: -348.318
where: short stacking energy: -152.153
Base-Backbone interact. energy: -0.612
local terms energy: -146.916444
where:
bonds (distance) C4'-P energy: -27.160
bonds (distance) P-C4' energy: -22.162
flat angles C4'-P-C4' energy: -27.794
flat angles P-C4'-P energy: -23.149
tors. eta vs tors. theta energy: -46.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -477.376099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.376099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.376099 (E_RNA)
where:
Base-Base interactions energy: -342.502
where: short stacking energy: -143.149
Base-Backbone interact. energy: -0.002
local terms energy: -144.871268
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -29.545
flat angles C4'-P-C4' energy: -32.510
flat angles P-C4'-P energy: -23.475
tors. eta vs tors. theta energy: -40.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -472.987095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.987095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.987095 (E_RNA)
where:
Base-Base interactions energy: -336.668
where: short stacking energy: -138.556
Base-Backbone interact. energy: -0.715
local terms energy: -145.603956
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -27.051
flat angles C4'-P-C4' energy: -29.821
flat angles P-C4'-P energy: -22.025
tors. eta vs tors. theta energy: -42.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -466.063298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.063298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.063298 (E_RNA)
where:
Base-Base interactions energy: -336.576
where: short stacking energy: -139.911
Base-Backbone interact. energy: -0.749
local terms energy: -138.738565
where:
bonds (distance) C4'-P energy: -23.934
bonds (distance) P-C4' energy: -25.353
flat angles C4'-P-C4' energy: -29.781
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -39.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -462.333525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.333525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.333525 (E_RNA)
where:
Base-Base interactions energy: -333.719
where: short stacking energy: -128.171
Base-Backbone interact. energy: -0.024
local terms energy: -138.589895
where:
bonds (distance) C4'-P energy: -24.469
bonds (distance) P-C4' energy: -21.703
flat angles C4'-P-C4' energy: -32.014
flat angles P-C4'-P energy: -19.256
tors. eta vs tors. theta energy: -41.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -447.109561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.109561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.109561 (E_RNA)
where:
Base-Base interactions energy: -320.505
where: short stacking energy: -126.155
Base-Backbone interact. energy: -0.037
local terms energy: -136.567061
where:
bonds (distance) C4'-P energy: -22.916
bonds (distance) P-C4' energy: -24.559
flat angles C4'-P-C4' energy: -29.290
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -43.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -421.880591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.880591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.880591 (E_RNA)
where:
Base-Base interactions energy: -299.743
where: short stacking energy: -125.000
Base-Backbone interact. energy: -0.432
local terms energy: -131.704963
where:
bonds (distance) C4'-P energy: -22.946
bonds (distance) P-C4' energy: -28.081
flat angles C4'-P-C4' energy: -22.001
flat angles P-C4'-P energy: -21.673
tors. eta vs tors. theta energy: -37.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -397.199769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.199769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.199769 (E_RNA)
where:
Base-Base interactions energy: -287.829
where: short stacking energy: -115.969
Base-Backbone interact. energy: -0.476
local terms energy: -118.894312
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -20.645
flat angles C4'-P-C4' energy: -25.494
flat angles P-C4'-P energy: -16.716
tors. eta vs tors. theta energy: -35.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -212.450476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.450476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.450476 (E_RNA)
where:
Base-Base interactions energy: -127.001
where: short stacking energy: -57.359
Base-Backbone interact. energy: -0.119
local terms energy: -95.330521
where:
bonds (distance) C4'-P energy: -22.505
bonds (distance) P-C4' energy: -23.628
flat angles C4'-P-C4' energy: -21.457
flat angles P-C4'-P energy: -19.479
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -496.730585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.730585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.730585 (E_RNA)
where:
Base-Base interactions energy: -356.412
where: short stacking energy: -150.801
Base-Backbone interact. energy: -0.017
local terms energy: -150.301610
where:
bonds (distance) C4'-P energy: -29.019
bonds (distance) P-C4' energy: -28.915
flat angles C4'-P-C4' energy: -30.072
flat angles P-C4'-P energy: -16.578
tors. eta vs tors. theta energy: -45.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -487.332614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.332614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.332614 (E_RNA)
where:
Base-Base interactions energy: -344.544
where: short stacking energy: -144.761
Base-Backbone interact. energy: -0.087
local terms energy: -152.702064
where:
bonds (distance) C4'-P energy: -26.021
bonds (distance) P-C4' energy: -29.680
flat angles C4'-P-C4' energy: -29.889
flat angles P-C4'-P energy: -20.482
tors. eta vs tors. theta energy: -46.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -485.624141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.624141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.624141 (E_RNA)
where:
Base-Base interactions energy: -344.262
where: short stacking energy: -147.108
Base-Backbone interact. energy: -0.600
local terms energy: -150.762540
where:
bonds (distance) C4'-P energy: -26.977
bonds (distance) P-C4' energy: -29.943
flat angles C4'-P-C4' energy: -30.334
flat angles P-C4'-P energy: -20.909
tors. eta vs tors. theta energy: -42.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -466.397881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.397881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.397881 (E_RNA)
where:
Base-Base interactions energy: -342.016
where: short stacking energy: -147.246
Base-Backbone interact. energy: -0.306
local terms energy: -134.075984
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -23.035
flat angles C4'-P-C4' energy: -31.361
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -46.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -452.708862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.708862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.708862 (E_RNA)
where:
Base-Base interactions energy: -325.762
where: short stacking energy: -128.592
Base-Backbone interact. energy: -0.407
local terms energy: -136.539243
where:
bonds (distance) C4'-P energy: -26.452
bonds (distance) P-C4' energy: -26.228
flat angles C4'-P-C4' energy: -28.190
flat angles P-C4'-P energy: -18.339
tors. eta vs tors. theta energy: -37.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -451.150724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.150724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.150724 (E_RNA)
where:
Base-Base interactions energy: -326.268
where: short stacking energy: -139.531
Base-Backbone interact. energy: -0.054
local terms energy: -134.828148
where:
bonds (distance) C4'-P energy: -22.370
bonds (distance) P-C4' energy: -20.809
flat angles C4'-P-C4' energy: -28.263
flat angles P-C4'-P energy: -22.343
tors. eta vs tors. theta energy: -41.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -441.990163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.990163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.990163 (E_RNA)
where:
Base-Base interactions energy: -326.358
where: short stacking energy: -129.008
Base-Backbone interact. energy: -0.165
local terms energy: -125.467223
where:
bonds (distance) C4'-P energy: -24.474
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -26.293
flat angles P-C4'-P energy: -17.800
tors. eta vs tors. theta energy: -36.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -437.025975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.025975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.025975 (E_RNA)
where:
Base-Base interactions energy: -310.991
where: short stacking energy: -134.457
Base-Backbone interact. energy: -0.090
local terms energy: -135.945250
where:
bonds (distance) C4'-P energy: -22.767
bonds (distance) P-C4' energy: -25.819
flat angles C4'-P-C4' energy: -30.501
flat angles P-C4'-P energy: -22.549
tors. eta vs tors. theta energy: -34.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -439.673483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.673483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.673483 (E_RNA)
where:
Base-Base interactions energy: -317.307
where: short stacking energy: -127.452
Base-Backbone interact. energy: -0.532
local terms energy: -131.834803
where:
bonds (distance) C4'-P energy: -29.065
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -25.343
flat angles P-C4'-P energy: -17.176
tors. eta vs tors. theta energy: -40.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -223.029556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.029556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.029556 (E_RNA)
where:
Base-Base interactions energy: -142.490
where: short stacking energy: -69.745
Base-Backbone interact. energy: -0.480
local terms energy: -90.060137
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -29.265
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -12.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -494.596129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.596129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.596129 (E_RNA)
where:
Base-Base interactions energy: -357.639
where: short stacking energy: -152.164
Base-Backbone interact. energy: -0.003
local terms energy: -146.953791
where:
bonds (distance) C4'-P energy: -23.943
bonds (distance) P-C4' energy: -28.868
flat angles C4'-P-C4' energy: -27.411
flat angles P-C4'-P energy: -21.455
tors. eta vs tors. theta energy: -45.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -483.901509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.901509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.901509 (E_RNA)
where:
Base-Base interactions energy: -339.920
where: short stacking energy: -147.398
Base-Backbone interact. energy: -0.005
local terms energy: -153.976129
where:
bonds (distance) C4'-P energy: -29.011
bonds (distance) P-C4' energy: -32.457
flat angles C4'-P-C4' energy: -26.545
flat angles P-C4'-P energy: -22.090
tors. eta vs tors. theta energy: -43.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -476.455119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.455119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.455119 (E_RNA)
where:
Base-Base interactions energy: -341.266
where: short stacking energy: -148.176
Base-Backbone interact. energy: -0.017
local terms energy: -145.172198
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -28.776
flat angles C4'-P-C4' energy: -25.162
flat angles P-C4'-P energy: -24.283
tors. eta vs tors. theta energy: -43.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -479.834437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.834437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.834437 (E_RNA)
where:
Base-Base interactions energy: -348.708
where: short stacking energy: -142.609
Base-Backbone interact. energy: -0.501
local terms energy: -140.625123
where:
bonds (distance) C4'-P energy: -26.791
bonds (distance) P-C4' energy: -23.272
flat angles C4'-P-C4' energy: -31.560
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -46.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -454.067814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.067814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.067814 (E_RNA)
where:
Base-Base interactions energy: -321.570
where: short stacking energy: -140.599
Base-Backbone interact. energy: -0.711
local terms energy: -141.787156
where:
bonds (distance) C4'-P energy: -27.304
bonds (distance) P-C4' energy: -25.454
flat angles C4'-P-C4' energy: -28.266
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -43.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -434.091273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.091273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.091273 (E_RNA)
where:
Base-Base interactions energy: -312.346
where: short stacking energy: -124.885
Base-Backbone interact. energy: -0.555
local terms energy: -131.189347
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -25.903
flat angles C4'-P-C4' energy: -29.465
flat angles P-C4'-P energy: -17.979
tors. eta vs tors. theta energy: -39.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -443.488614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.488614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.488614 (E_RNA)
where:
Base-Base interactions energy: -318.048
where: short stacking energy: -129.765
Base-Backbone interact. energy: -0.280
local terms energy: -135.160253
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -25.130
flat angles C4'-P-C4' energy: -30.460
flat angles P-C4'-P energy: -20.919
tors. eta vs tors. theta energy: -39.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -429.902877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.902877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.902877 (E_RNA)
where:
Base-Base interactions energy: -305.689
where: short stacking energy: -129.073
Base-Backbone interact. energy: -0.013
local terms energy: -134.200449
where:
bonds (distance) C4'-P energy: -26.039
bonds (distance) P-C4' energy: -19.681
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -15.632
tors. eta vs tors. theta energy: -42.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -421.087065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.087065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.087065 (E_RNA)
where:
Base-Base interactions energy: -312.321
where: short stacking energy: -128.957
Base-Backbone interact. energy: -0.334
local terms energy: -118.432070
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -23.783
flat angles P-C4'-P energy: -18.435
tors. eta vs tors. theta energy: -40.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -245.674718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.674718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.674718 (E_RNA)
where:
Base-Base interactions energy: -173.271
where: short stacking energy: -81.431
Base-Backbone interact. energy: -0.184
local terms energy: -82.220070
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -28.497
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -15.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -496.941805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.941805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.941805 (E_RNA)
where:
Base-Base interactions energy: -350.473
where: short stacking energy: -145.067
Base-Backbone interact. energy: -0.091
local terms energy: -156.378431
where:
bonds (distance) C4'-P energy: -29.206
bonds (distance) P-C4' energy: -28.026
flat angles C4'-P-C4' energy: -32.995
flat angles P-C4'-P energy: -19.242
tors. eta vs tors. theta energy: -46.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -482.023603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.023603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.023603 (E_RNA)
where:
Base-Base interactions energy: -346.361
where: short stacking energy: -150.719
Base-Backbone interact. energy: -0.013
local terms energy: -145.650155
where:
bonds (distance) C4'-P energy: -24.731
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -32.369
flat angles P-C4'-P energy: -21.264
tors. eta vs tors. theta energy: -47.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -486.828561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.828561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.828561 (E_RNA)
where:
Base-Base interactions energy: -348.793
where: short stacking energy: -145.522
Base-Backbone interact. energy: -0.828
local terms energy: -147.207348
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -24.026
flat angles C4'-P-C4' energy: -30.752
flat angles P-C4'-P energy: -21.420
tors. eta vs tors. theta energy: -43.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -472.841011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.841011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.841011 (E_RNA)
where:
Base-Base interactions energy: -339.584
where: short stacking energy: -142.861
Base-Backbone interact. energy: -0.431
local terms energy: -142.825802
where:
bonds (distance) C4'-P energy: -26.731
bonds (distance) P-C4' energy: -24.322
flat angles C4'-P-C4' energy: -28.646
flat angles P-C4'-P energy: -19.332
tors. eta vs tors. theta energy: -43.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -463.124697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.124697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.124697 (E_RNA)
where:
Base-Base interactions energy: -329.040
where: short stacking energy: -142.431
Base-Backbone interact. energy: -0.472
local terms energy: -143.612816
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -27.655
flat angles C4'-P-C4' energy: -31.069
flat angles P-C4'-P energy: -17.304
tors. eta vs tors. theta energy: -45.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -455.291943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.291943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.291943 (E_RNA)
where:
Base-Base interactions energy: -325.996
where: short stacking energy: -134.239
Base-Backbone interact. energy: -0.315
local terms energy: -138.980979
where:
bonds (distance) C4'-P energy: -25.220
bonds (distance) P-C4' energy: -26.971
flat angles C4'-P-C4' energy: -26.340
flat angles P-C4'-P energy: -22.928
tors. eta vs tors. theta energy: -37.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -441.052700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.052700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.052700 (E_RNA)
where:
Base-Base interactions energy: -316.770
where: short stacking energy: -132.850
Base-Backbone interact. energy: -0.122
local terms energy: -134.160608
where:
bonds (distance) C4'-P energy: -23.766
bonds (distance) P-C4' energy: -25.913
flat angles C4'-P-C4' energy: -27.269
flat angles P-C4'-P energy: -17.133
tors. eta vs tors. theta energy: -40.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -437.926279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.926279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.926279 (E_RNA)
where:
Base-Base interactions energy: -321.180
where: short stacking energy: -133.640
Base-Backbone interact. energy: -0.107
local terms energy: -126.639859
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -25.895
flat angles C4'-P-C4' energy: -27.181
flat angles P-C4'-P energy: -19.571
tors. eta vs tors. theta energy: -38.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -425.024453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.024453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.024453 (E_RNA)
where:
Base-Base interactions energy: -299.999
where: short stacking energy: -122.657
Base-Backbone interact. energy: -1.494
local terms energy: -133.531186
where:
bonds (distance) C4'-P energy: -25.594
bonds (distance) P-C4' energy: -27.365
flat angles C4'-P-C4' energy: -25.651
flat angles P-C4'-P energy: -20.111
tors. eta vs tors. theta energy: -34.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -284.552706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.552706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.552706 (E_RNA)
where:
Base-Base interactions energy: -191.851
where: short stacking energy: -77.829
Base-Backbone interact. energy: -1.324
local terms energy: -101.377820
where:
bonds (distance) C4'-P energy: -22.181
bonds (distance) P-C4' energy: -26.691
flat angles C4'-P-C4' energy: -20.944
flat angles P-C4'-P energy: -17.227
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -497.901729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.901729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.901729 (E_RNA)
where:
Base-Base interactions energy: -343.366
where: short stacking energy: -152.672
Base-Backbone interact. energy: 0.032
local terms energy: -164.567508
where:
bonds (distance) C4'-P energy: -32.386
bonds (distance) P-C4' energy: -28.691
flat angles C4'-P-C4' energy: -32.839
flat angles P-C4'-P energy: -24.741
tors. eta vs tors. theta energy: -45.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -489.007357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.007357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.007357 (E_RNA)
where:
Base-Base interactions energy: -346.709
where: short stacking energy: -151.432
Base-Backbone interact. energy: -0.018
local terms energy: -152.280137
where:
bonds (distance) C4'-P energy: -25.025
bonds (distance) P-C4' energy: -25.758
flat angles C4'-P-C4' energy: -30.970
flat angles P-C4'-P energy: -22.280
tors. eta vs tors. theta energy: -48.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -477.327696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.327696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.327696 (E_RNA)
where:
Base-Base interactions energy: -335.254
where: short stacking energy: -143.378
Base-Backbone interact. energy: -0.216
local terms energy: -151.857056
where:
bonds (distance) C4'-P energy: -30.261
bonds (distance) P-C4' energy: -25.736
flat angles C4'-P-C4' energy: -29.491
flat angles P-C4'-P energy: -22.321
tors. eta vs tors. theta energy: -44.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -476.039780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.039780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.039780 (E_RNA)
where:
Base-Base interactions energy: -341.471
where: short stacking energy: -139.882
Base-Backbone interact. energy: -0.068
local terms energy: -144.500800
where:
bonds (distance) C4'-P energy: -24.411
bonds (distance) P-C4' energy: -24.435
flat angles C4'-P-C4' energy: -29.819
flat angles P-C4'-P energy: -22.631
tors. eta vs tors. theta energy: -43.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -466.496512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.496512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.496512 (E_RNA)
where:
Base-Base interactions energy: -337.452
where: short stacking energy: -139.138
Base-Backbone interact. energy: 0.893
local terms energy: -139.937089
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -18.042
flat angles C4'-P-C4' energy: -28.308
flat angles P-C4'-P energy: -23.050
tors. eta vs tors. theta energy: -46.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -464.857502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.857502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.857502 (E_RNA)
where:
Base-Base interactions energy: -338.296
where: short stacking energy: -141.989
Base-Backbone interact. energy: -1.101
local terms energy: -135.460026
where:
bonds (distance) C4'-P energy: -22.189
bonds (distance) P-C4' energy: -24.313
flat angles C4'-P-C4' energy: -27.202
flat angles P-C4'-P energy: -17.947
tors. eta vs tors. theta energy: -43.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -427.134048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.134048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.134048 (E_RNA)
where:
Base-Base interactions energy: -302.856
where: short stacking energy: -126.296
Base-Backbone interact. energy: -0.873
local terms energy: -133.404382
where:
bonds (distance) C4'-P energy: -26.414
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -24.971
flat angles P-C4'-P energy: -20.475
tors. eta vs tors. theta energy: -38.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -455.637294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.637294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.637294 (E_RNA)
where:
Base-Base interactions energy: -322.926
where: short stacking energy: -135.485
Base-Backbone interact. energy: -0.328
local terms energy: -142.383286
where:
bonds (distance) C4'-P energy: -29.040
bonds (distance) P-C4' energy: -24.440
flat angles C4'-P-C4' energy: -24.584
flat angles P-C4'-P energy: -17.619
tors. eta vs tors. theta energy: -46.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -426.902866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.902866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.902866 (E_RNA)
where:
Base-Base interactions energy: -319.800
where: short stacking energy: -131.110
Base-Backbone interact. energy: -0.250
local terms energy: -116.852983
where:
bonds (distance) C4'-P energy: -21.354
bonds (distance) P-C4' energy: -26.823
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -17.428
tors. eta vs tors. theta energy: -32.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -309.143518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.143518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.143518 (E_RNA)
where:
Base-Base interactions energy: -217.580
where: short stacking energy: -87.691
Base-Backbone interact. energy: -0.845
local terms energy: -100.718141
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -24.922
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -16.357
tors. eta vs tors. theta energy: -23.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -495.876306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.876306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.876306 (E_RNA)
where:
Base-Base interactions energy: -353.187
where: short stacking energy: -149.255
Base-Backbone interact. energy: -0.061
local terms energy: -152.628406
where:
bonds (distance) C4'-P energy: -24.068
bonds (distance) P-C4' energy: -26.908
flat angles C4'-P-C4' energy: -30.972
flat angles P-C4'-P energy: -26.245
tors. eta vs tors. theta energy: -44.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -486.052571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.052571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.052571 (E_RNA)
where:
Base-Base interactions energy: -350.424
where: short stacking energy: -148.557
Base-Backbone interact. energy: -0.297
local terms energy: -145.332093
where:
bonds (distance) C4'-P energy: -29.719
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -29.500
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -45.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -484.595007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.595007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.595007 (E_RNA)
where:
Base-Base interactions energy: -345.454
where: short stacking energy: -148.194
Base-Backbone interact. energy: -1.160
local terms energy: -147.980532
where:
bonds (distance) C4'-P energy: -26.190
bonds (distance) P-C4' energy: -26.489
flat angles C4'-P-C4' energy: -29.995
flat angles P-C4'-P energy: -18.879
tors. eta vs tors. theta energy: -46.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -481.624682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.624682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.624682 (E_RNA)
where:
Base-Base interactions energy: -350.379
where: short stacking energy: -143.073
Base-Backbone interact. energy: 0.187
local terms energy: -141.432219
where:
bonds (distance) C4'-P energy: -27.994
bonds (distance) P-C4' energy: -27.348
flat angles C4'-P-C4' energy: -24.902
flat angles P-C4'-P energy: -20.999
tors. eta vs tors. theta energy: -40.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -471.517815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.517815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.517815 (E_RNA)
where:
Base-Base interactions energy: -330.635
where: short stacking energy: -140.423
Base-Backbone interact. energy: 0.438
local terms energy: -151.321573
where:
bonds (distance) C4'-P energy: -27.057
bonds (distance) P-C4' energy: -24.839
flat angles C4'-P-C4' energy: -31.544
flat angles P-C4'-P energy: -22.225
tors. eta vs tors. theta energy: -45.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -468.715289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.715289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.715289 (E_RNA)
where:
Base-Base interactions energy: -340.493
where: short stacking energy: -139.101
Base-Backbone interact. energy: -0.132
local terms energy: -138.090999
where:
bonds (distance) C4'-P energy: -22.561
bonds (distance) P-C4' energy: -27.371
flat angles C4'-P-C4' energy: -28.079
flat angles P-C4'-P energy: -18.472
tors. eta vs tors. theta energy: -41.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -427.329419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.329419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.329419 (E_RNA)
where:
Base-Base interactions energy: -308.769
where: short stacking energy: -128.410
Base-Backbone interact. energy: -0.051
local terms energy: -128.508496
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -32.879
flat angles P-C4'-P energy: -20.196
tors. eta vs tors. theta energy: -37.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -444.125647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.125647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.125647 (E_RNA)
where:
Base-Base interactions energy: -318.701
where: short stacking energy: -134.787
Base-Backbone interact. energy: -1.810
local terms energy: -133.615585
where:
bonds (distance) C4'-P energy: -24.404
bonds (distance) P-C4' energy: -24.189
flat angles C4'-P-C4' energy: -23.350
flat angles P-C4'-P energy: -18.287
tors. eta vs tors. theta energy: -43.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -400.668670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.668670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.668670 (E_RNA)
where:
Base-Base interactions energy: -286.370
where: short stacking energy: -126.224
Base-Backbone interact. energy: -0.763
local terms energy: -123.535932
where:
bonds (distance) C4'-P energy: -18.620
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -21.674
tors. eta vs tors. theta energy: -39.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -311.125234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.125234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.125234 (E_RNA)
where:
Base-Base interactions energy: -207.628
where: short stacking energy: -91.700
Base-Backbone interact. energy: -1.051
local terms energy: -112.446241
where:
bonds (distance) C4'-P energy: -25.752
bonds (distance) P-C4' energy: -21.772
flat angles C4'-P-C4' energy: -28.599
flat angles P-C4'-P energy: -15.441
tors. eta vs tors. theta energy: -20.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -497.808811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.808811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.808811 (E_RNA)
where:
Base-Base interactions energy: -358.620
where: short stacking energy: -145.948
Base-Backbone interact. energy: -0.002
local terms energy: -149.186369
where:
bonds (distance) C4'-P energy: -27.234
bonds (distance) P-C4' energy: -24.996
flat angles C4'-P-C4' energy: -32.471
flat angles P-C4'-P energy: -21.184
tors. eta vs tors. theta energy: -43.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -493.781169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.781169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.781169 (E_RNA)
where:
Base-Base interactions energy: -352.319
where: short stacking energy: -146.302
Base-Backbone interact. energy: -0.001
local terms energy: -151.460545
where:
bonds (distance) C4'-P energy: -28.929
bonds (distance) P-C4' energy: -28.118
flat angles C4'-P-C4' energy: -30.141
flat angles P-C4'-P energy: -22.514
tors. eta vs tors. theta energy: -41.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -485.216841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.216841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.216841 (E_RNA)
where:
Base-Base interactions energy: -350.518
where: short stacking energy: -153.349
Base-Backbone interact. energy: -0.007
local terms energy: -144.691749
where:
bonds (distance) C4'-P energy: -23.568
bonds (distance) P-C4' energy: -22.365
flat angles C4'-P-C4' energy: -30.169
flat angles P-C4'-P energy: -24.316
tors. eta vs tors. theta energy: -44.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -475.515814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.515814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.515814 (E_RNA)
where:
Base-Base interactions energy: -335.448
where: short stacking energy: -144.804
Base-Backbone interact. energy: -0.917
local terms energy: -149.151257
where:
bonds (distance) C4'-P energy: -27.915
bonds (distance) P-C4' energy: -26.765
flat angles C4'-P-C4' energy: -28.216
flat angles P-C4'-P energy: -22.924
tors. eta vs tors. theta energy: -43.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -466.630877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.630877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.630877 (E_RNA)
where:
Base-Base interactions energy: -331.586
where: short stacking energy: -132.507
Base-Backbone interact. energy: 0.102
local terms energy: -145.146575
where:
bonds (distance) C4'-P energy: -23.494
bonds (distance) P-C4' energy: -30.858
flat angles C4'-P-C4' energy: -30.611
flat angles P-C4'-P energy: -21.020
tors. eta vs tors. theta energy: -39.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -450.327357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.327357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.327357 (E_RNA)
where:
Base-Base interactions energy: -321.133
where: short stacking energy: -130.839
Base-Backbone interact. energy: -0.648
local terms energy: -138.545572
where:
bonds (distance) C4'-P energy: -20.396
bonds (distance) P-C4' energy: -27.863
flat angles C4'-P-C4' energy: -30.734
flat angles P-C4'-P energy: -19.046
tors. eta vs tors. theta energy: -40.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -438.820409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.820409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.820409 (E_RNA)
where:
Base-Base interactions energy: -317.495
where: short stacking energy: -133.402
Base-Backbone interact. energy: -0.518
local terms energy: -130.807486
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -26.306
flat angles C4'-P-C4' energy: -29.496
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -41.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -412.245233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.245233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.245233 (E_RNA)
where:
Base-Base interactions energy: -298.303
where: short stacking energy: -120.181
Base-Backbone interact. energy: -0.030
local terms energy: -123.911717
where:
bonds (distance) C4'-P energy: -24.692
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -26.749
flat angles P-C4'-P energy: -18.265
tors. eta vs tors. theta energy: -35.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -411.665385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.665385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.665385 (E_RNA)
where:
Base-Base interactions energy: -299.915
where: short stacking energy: -129.923
Base-Backbone interact. energy: -0.260
local terms energy: -121.490570
where:
bonds (distance) C4'-P energy: -18.425
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -26.214
flat angles P-C4'-P energy: -21.370
tors. eta vs tors. theta energy: -36.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -373.087217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.087217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.087217 (E_RNA)
where:
Base-Base interactions energy: -276.460
where: short stacking energy: -117.511
Base-Backbone interact. energy: -3.543
local terms energy: -103.084843
where:
bonds (distance) C4'-P energy: -20.774
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -22.945
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -31.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -504.837192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.837192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.837192 (E_RNA)
where:
Base-Base interactions energy: -351.338
where: short stacking energy: -151.527
Base-Backbone interact. energy: -0.046
local terms energy: -163.453240
where:
bonds (distance) C4'-P energy: -26.039
bonds (distance) P-C4' energy: -31.486
flat angles C4'-P-C4' energy: -32.849
flat angles P-C4'-P energy: -25.433
tors. eta vs tors. theta energy: -47.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -495.478561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.478561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.478561 (E_RNA)
where:
Base-Base interactions energy: -347.457
where: short stacking energy: -146.805
Base-Backbone interact. energy: 0.097
local terms energy: -158.117590
where:
bonds (distance) C4'-P energy: -28.183
bonds (distance) P-C4' energy: -28.519
flat angles C4'-P-C4' energy: -31.457
flat angles P-C4'-P energy: -23.757
tors. eta vs tors. theta energy: -46.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -484.455947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.455947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.455947 (E_RNA)
where:
Base-Base interactions energy: -346.940
where: short stacking energy: -154.302
Base-Backbone interact. energy: -0.030
local terms energy: -147.485771
where:
bonds (distance) C4'-P energy: -25.210
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -29.351
flat angles P-C4'-P energy: -22.579
tors. eta vs tors. theta energy: -46.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -465.165091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.165091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.165091 (E_RNA)
where:
Base-Base interactions energy: -341.725
where: short stacking energy: -143.410
Base-Backbone interact. energy: -0.021
local terms energy: -133.418857
where:
bonds (distance) C4'-P energy: -21.718
bonds (distance) P-C4' energy: -20.618
flat angles C4'-P-C4' energy: -29.347
flat angles P-C4'-P energy: -21.648
tors. eta vs tors. theta energy: -40.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -449.811075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.811075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.811075 (E_RNA)
where:
Base-Base interactions energy: -328.009
where: short stacking energy: -140.583
Base-Backbone interact. energy: -0.774
local terms energy: -131.028280
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -25.926
flat angles C4'-P-C4' energy: -30.393
flat angles P-C4'-P energy: -17.089
tors. eta vs tors. theta energy: -39.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -436.917847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.917847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.917847 (E_RNA)
where:
Base-Base interactions energy: -318.469
where: short stacking energy: -134.004
Base-Backbone interact. energy: -0.694
local terms energy: -127.754336
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -28.463
flat angles P-C4'-P energy: -17.618
tors. eta vs tors. theta energy: -43.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -447.134130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.134130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.134130 (E_RNA)
where:
Base-Base interactions energy: -317.959
where: short stacking energy: -132.881
Base-Backbone interact. energy: -0.104
local terms energy: -139.070716
where:
bonds (distance) C4'-P energy: -23.322
bonds (distance) P-C4' energy: -26.551
flat angles C4'-P-C4' energy: -30.381
flat angles P-C4'-P energy: -21.943
tors. eta vs tors. theta energy: -36.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -422.418273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.418273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.418273 (E_RNA)
where:
Base-Base interactions energy: -314.911
where: short stacking energy: -129.220
Base-Backbone interact. energy: -0.927
local terms energy: -116.580776
where:
bonds (distance) C4'-P energy: -21.908
bonds (distance) P-C4' energy: -18.936
flat angles C4'-P-C4' energy: -27.188
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -37.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -438.388070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.388070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.388070 (E_RNA)
where:
Base-Base interactions energy: -323.177
where: short stacking energy: -138.417
Base-Backbone interact. energy: -0.056
local terms energy: -125.155085
where:
bonds (distance) C4'-P energy: -25.521
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -25.159
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -41.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -338.891952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.891952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.891952 (E_RNA)
where:
Base-Base interactions energy: -230.206
where: short stacking energy: -96.779
Base-Backbone interact. energy: -0.042
local terms energy: -118.644405
where:
bonds (distance) C4'-P energy: -24.984
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -26.002
flat angles P-C4'-P energy: -16.114
tors. eta vs tors. theta energy: -26.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -498.285775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.285775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.285775 (E_RNA)
where:
Base-Base interactions energy: -355.893
where: short stacking energy: -155.745
Base-Backbone interact. energy: -0.002
local terms energy: -152.390610
where:
bonds (distance) C4'-P energy: -26.322
bonds (distance) P-C4' energy: -24.369
flat angles C4'-P-C4' energy: -32.239
flat angles P-C4'-P energy: -21.904
tors. eta vs tors. theta energy: -47.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -482.471752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.471752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.471752 (E_RNA)
where:
Base-Base interactions energy: -353.586
where: short stacking energy: -147.167
Base-Backbone interact. energy: -0.063
local terms energy: -138.822638
where:
bonds (distance) C4'-P energy: -23.198
bonds (distance) P-C4' energy: -23.107
flat angles C4'-P-C4' energy: -28.439
flat angles P-C4'-P energy: -17.760
tors. eta vs tors. theta energy: -46.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -477.375903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.375903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.375903 (E_RNA)
where:
Base-Base interactions energy: -340.185
where: short stacking energy: -140.940
Base-Backbone interact. energy: -0.025
local terms energy: -147.165517
where:
bonds (distance) C4'-P energy: -23.909
bonds (distance) P-C4' energy: -27.006
flat angles C4'-P-C4' energy: -32.415
flat angles P-C4'-P energy: -19.631
tors. eta vs tors. theta energy: -44.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -490.402504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.402504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.402504 (E_RNA)
where:
Base-Base interactions energy: -353.071
where: short stacking energy: -138.721
Base-Backbone interact. energy: 0.698
local terms energy: -148.030128
where:
bonds (distance) C4'-P energy: -27.571
bonds (distance) P-C4' energy: -27.149
flat angles C4'-P-C4' energy: -30.884
flat angles P-C4'-P energy: -20.530
tors. eta vs tors. theta energy: -41.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -457.231346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.231346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.231346 (E_RNA)
where:
Base-Base interactions energy: -323.989
where: short stacking energy: -123.980
Base-Backbone interact. energy: -1.058
local terms energy: -142.184586
where:
bonds (distance) C4'-P energy: -29.520
bonds (distance) P-C4' energy: -24.533
flat angles C4'-P-C4' energy: -31.227
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -40.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -454.401658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.401658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.401658 (E_RNA)
where:
Base-Base interactions energy: -323.822
where: short stacking energy: -137.271
Base-Backbone interact. energy: -0.277
local terms energy: -140.302202
where:
bonds (distance) C4'-P energy: -26.317
bonds (distance) P-C4' energy: -21.029
flat angles C4'-P-C4' energy: -28.817
flat angles P-C4'-P energy: -21.404
tors. eta vs tors. theta energy: -42.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -451.416051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.416051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.416051 (E_RNA)
where:
Base-Base interactions energy: -325.608
where: short stacking energy: -118.721
Base-Backbone interact. energy: -0.064
local terms energy: -135.744271
where:
bonds (distance) C4'-P energy: -20.148
bonds (distance) P-C4' energy: -28.365
flat angles C4'-P-C4' energy: -30.648
flat angles P-C4'-P energy: -20.179
tors. eta vs tors. theta energy: -36.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -442.519232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.519232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.519232 (E_RNA)
where:
Base-Base interactions energy: -312.556
where: short stacking energy: -130.916
Base-Backbone interact. energy: 2.371
local terms energy: -142.334280
where:
bonds (distance) C4'-P energy: -23.760
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -29.970
flat angles P-C4'-P energy: -19.953
tors. eta vs tors. theta energy: -39.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -418.106956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.106956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.106956 (E_RNA)
where:
Base-Base interactions energy: -292.340
where: short stacking energy: -112.546
Base-Backbone interact. energy: -0.530
local terms energy: -135.237099
where:
bonds (distance) C4'-P energy: -24.510
bonds (distance) P-C4' energy: -28.594
flat angles C4'-P-C4' energy: -24.721
flat angles P-C4'-P energy: -21.838
tors. eta vs tors. theta energy: -35.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -343.781985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.781985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.781985 (E_RNA)
where:
Base-Base interactions energy: -247.804
where: short stacking energy: -100.873
Base-Backbone interact. energy: -0.550
local terms energy: -105.428293
where:
bonds (distance) C4'-P energy: -18.210
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -29.160
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -27.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -494.594961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.594961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.594961 (E_RNA)
where:
Base-Base interactions energy: -345.513
where: short stacking energy: -147.856
Base-Backbone interact. energy: -0.011
local terms energy: -159.071438
where:
bonds (distance) C4'-P energy: -27.711
bonds (distance) P-C4' energy: -30.193
flat angles C4'-P-C4' energy: -31.473
flat angles P-C4'-P energy: -22.371
tors. eta vs tors. theta energy: -47.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -482.862634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.862634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.862634 (E_RNA)
where:
Base-Base interactions energy: -357.648
where: short stacking energy: -152.358
Base-Backbone interact. energy: -0.598
local terms energy: -134.616508
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -30.994
flat angles P-C4'-P energy: -16.968
tors. eta vs tors. theta energy: -43.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -477.420583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.420583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.420583 (E_RNA)
where:
Base-Base interactions energy: -340.677
where: short stacking energy: -142.212
Base-Backbone interact. energy: -0.544
local terms energy: -146.199609
where:
bonds (distance) C4'-P energy: -26.997
bonds (distance) P-C4' energy: -31.153
flat angles C4'-P-C4' energy: -28.342
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -43.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -474.852340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.852340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.852340 (E_RNA)
where:
Base-Base interactions energy: -343.037
where: short stacking energy: -135.503
Base-Backbone interact. energy: -0.045
local terms energy: -141.770088
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -29.689
flat angles C4'-P-C4' energy: -30.916
flat angles P-C4'-P energy: -20.923
tors. eta vs tors. theta energy: -40.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -459.123731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.123731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.123731 (E_RNA)
where:
Base-Base interactions energy: -329.494
where: short stacking energy: -127.413
Base-Backbone interact. energy: -0.061
local terms energy: -139.568523
where:
bonds (distance) C4'-P energy: -22.898
bonds (distance) P-C4' energy: -25.627
flat angles C4'-P-C4' energy: -26.704
flat angles P-C4'-P energy: -25.231
tors. eta vs tors. theta energy: -39.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -448.104985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.104985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.104985 (E_RNA)
where:
Base-Base interactions energy: -325.883
where: short stacking energy: -135.728
Base-Backbone interact. energy: -0.186
local terms energy: -132.035487
where:
bonds (distance) C4'-P energy: -23.068
bonds (distance) P-C4' energy: -22.006
flat angles C4'-P-C4' energy: -28.163
flat angles P-C4'-P energy: -15.940
tors. eta vs tors. theta energy: -42.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -452.532118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.532118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.532118 (E_RNA)
where:
Base-Base interactions energy: -322.785
where: short stacking energy: -143.675
Base-Backbone interact. energy: -0.017
local terms energy: -139.729829
where:
bonds (distance) C4'-P energy: -20.139
bonds (distance) P-C4' energy: -27.261
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -20.437
tors. eta vs tors. theta energy: -41.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -421.661065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.661065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.661065 (E_RNA)
where:
Base-Base interactions energy: -304.455
where: short stacking energy: -126.503
Base-Backbone interact. energy: -0.030
local terms energy: -127.175858
where:
bonds (distance) C4'-P energy: -25.480
bonds (distance) P-C4' energy: -23.729
flat angles C4'-P-C4' energy: -21.807
flat angles P-C4'-P energy: -15.601
tors. eta vs tors. theta energy: -40.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -424.441358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.441358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.441358 (E_RNA)
where:
Base-Base interactions energy: -303.699
where: short stacking energy: -130.855
Base-Backbone interact. energy: 1.803
local terms energy: -132.546009
where:
bonds (distance) C4'-P energy: -21.043
bonds (distance) P-C4' energy: -22.957
flat angles C4'-P-C4' energy: -31.798
flat angles P-C4'-P energy: -16.184
tors. eta vs tors. theta energy: -40.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -375.771725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.771725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.771725 (E_RNA)
where:
Base-Base interactions energy: -278.473
where: short stacking energy: -115.023
Base-Backbone interact. energy: -0.045
local terms energy: -107.254167
where:
bonds (distance) C4'-P energy: -25.741
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -20.302
tors. eta vs tors. theta energy: -29.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -496.832446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.832446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.832446 (E_RNA)
where:
Base-Base interactions energy: -361.127
where: short stacking energy: -149.896
Base-Backbone interact. energy: -0.334
local terms energy: -145.371967
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -23.846
flat angles C4'-P-C4' energy: -28.663
flat angles P-C4'-P energy: -25.806
tors. eta vs tors. theta energy: -42.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -490.303856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.303856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.303856 (E_RNA)
where:
Base-Base interactions energy: -357.564
where: short stacking energy: -147.138
Base-Backbone interact. energy: -0.064
local terms energy: -142.676054
where:
bonds (distance) C4'-P energy: -25.000
bonds (distance) P-C4' energy: -25.809
flat angles C4'-P-C4' energy: -28.475
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -44.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -478.912676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.912676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.912676 (E_RNA)
where:
Base-Base interactions energy: -328.416
where: short stacking energy: -135.080
Base-Backbone interact. energy: -0.196
local terms energy: -160.301261
where:
bonds (distance) C4'-P energy: -30.411
bonds (distance) P-C4' energy: -29.724
flat angles C4'-P-C4' energy: -31.582
flat angles P-C4'-P energy: -23.406
tors. eta vs tors. theta energy: -45.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -471.507655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.507655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.507655 (E_RNA)
where:
Base-Base interactions energy: -334.691
where: short stacking energy: -135.446
Base-Backbone interact. energy: -0.129
local terms energy: -146.688130
where:
bonds (distance) C4'-P energy: -25.791
bonds (distance) P-C4' energy: -27.384
flat angles C4'-P-C4' energy: -27.434
flat angles P-C4'-P energy: -22.335
tors. eta vs tors. theta energy: -43.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -472.013361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.013361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.013361 (E_RNA)
where:
Base-Base interactions energy: -341.715
where: short stacking energy: -145.740
Base-Backbone interact. energy: -0.330
local terms energy: -139.967943
where:
bonds (distance) C4'-P energy: -24.205
bonds (distance) P-C4' energy: -24.499
flat angles C4'-P-C4' energy: -30.850
flat angles P-C4'-P energy: -21.433
tors. eta vs tors. theta energy: -38.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -452.857842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.857842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.857842 (E_RNA)
where:
Base-Base interactions energy: -332.129
where: short stacking energy: -139.856
Base-Backbone interact. energy: -0.593
local terms energy: -130.136324
where:
bonds (distance) C4'-P energy: -25.001
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -29.948
flat angles P-C4'-P energy: -18.800
tors. eta vs tors. theta energy: -38.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -458.859106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.859106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.859106 (E_RNA)
where:
Base-Base interactions energy: -337.757
where: short stacking energy: -141.826
Base-Backbone interact. energy: -0.112
local terms energy: -130.989991
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -33.598
flat angles P-C4'-P energy: -15.664
tors. eta vs tors. theta energy: -43.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -423.991253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.991253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.991253 (E_RNA)
where:
Base-Base interactions energy: -299.330
where: short stacking energy: -118.991
Base-Backbone interact. energy: -0.096
local terms energy: -134.565157
where:
bonds (distance) C4'-P energy: -23.693
bonds (distance) P-C4' energy: -28.127
flat angles C4'-P-C4' energy: -24.521
flat angles P-C4'-P energy: -16.319
tors. eta vs tors. theta energy: -41.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -422.250319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.250319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.250319 (E_RNA)
where:
Base-Base interactions energy: -312.801
where: short stacking energy: -127.564
Base-Backbone interact. energy: -0.107
local terms energy: -119.342189
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -23.091
flat angles C4'-P-C4' energy: -26.014
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -35.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -402.012431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.012431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.012431 (E_RNA)
where:
Base-Base interactions energy: -297.162
where: short stacking energy: -118.282
Base-Backbone interact. energy: -0.111
local terms energy: -114.738866
where:
bonds (distance) C4'-P energy: -23.571
bonds (distance) P-C4' energy: -7.442
flat angles C4'-P-C4' energy: -27.003
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -40.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -500.837873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.837873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.837873 (E_RNA)
where:
Base-Base interactions energy: -359.755
where: short stacking energy: -158.696
Base-Backbone interact. energy: -0.633
local terms energy: -150.449433
where:
bonds (distance) C4'-P energy: -25.984
bonds (distance) P-C4' energy: -27.683
flat angles C4'-P-C4' energy: -31.845
flat angles P-C4'-P energy: -20.926
tors. eta vs tors. theta energy: -44.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -490.055751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.055751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.055751 (E_RNA)
where:
Base-Base interactions energy: -344.281
where: short stacking energy: -150.462
Base-Backbone interact. energy: -0.093
local terms energy: -155.682343
where:
bonds (distance) C4'-P energy: -24.416
bonds (distance) P-C4' energy: -29.287
flat angles C4'-P-C4' energy: -31.625
flat angles P-C4'-P energy: -24.297
tors. eta vs tors. theta energy: -46.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -481.124698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.124698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.124698 (E_RNA)
where:
Base-Base interactions energy: -337.131
where: short stacking energy: -148.198
Base-Backbone interact. energy: -0.326
local terms energy: -153.668135
where:
bonds (distance) C4'-P energy: -25.723
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -31.340
flat angles P-C4'-P energy: -22.417
tors. eta vs tors. theta energy: -44.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -484.655439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.655439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.655439 (E_RNA)
where:
Base-Base interactions energy: -358.183
where: short stacking energy: -155.445
Base-Backbone interact. energy: -0.313
local terms energy: -136.159890
where:
bonds (distance) C4'-P energy: -22.328
bonds (distance) P-C4' energy: -26.604
flat angles C4'-P-C4' energy: -27.246
flat angles P-C4'-P energy: -16.918
tors. eta vs tors. theta energy: -43.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -464.868299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.868299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.868299 (E_RNA)
where:
Base-Base interactions energy: -340.116
where: short stacking energy: -133.691
Base-Backbone interact. energy: -0.051
local terms energy: -134.701229
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -27.888
flat angles P-C4'-P energy: -21.646
tors. eta vs tors. theta energy: -41.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -446.308524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.308524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.308524 (E_RNA)
where:
Base-Base interactions energy: -319.226
where: short stacking energy: -126.055
Base-Backbone interact. energy: -0.394
local terms energy: -136.688170
where:
bonds (distance) C4'-P energy: -26.578
bonds (distance) P-C4' energy: -21.244
flat angles C4'-P-C4' energy: -30.220
flat angles P-C4'-P energy: -20.521
tors. eta vs tors. theta energy: -38.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -443.048856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.048856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.048856 (E_RNA)
where:
Base-Base interactions energy: -325.684
where: short stacking energy: -134.682
Base-Backbone interact. energy: -0.021
local terms energy: -127.344226
where:
bonds (distance) C4'-P energy: -24.144
bonds (distance) P-C4' energy: -23.981
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -21.617
tors. eta vs tors. theta energy: -33.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -424.760858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.760858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.760858 (E_RNA)
where:
Base-Base interactions energy: -302.481
where: short stacking energy: -130.137
Base-Backbone interact. energy: -0.557
local terms energy: -131.722861
where:
bonds (distance) C4'-P energy: -25.814
bonds (distance) P-C4' energy: -22.231
flat angles C4'-P-C4' energy: -25.524
flat angles P-C4'-P energy: -21.544
tors. eta vs tors. theta energy: -36.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -395.451839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -395.451839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.451839 (E_RNA)
where:
Base-Base interactions energy: -292.136
where: short stacking energy: -114.655
Base-Backbone interact. energy: 1.814
local terms energy: -115.130062
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -23.051
flat angles C4'-P-C4' energy: -22.539
flat angles P-C4'-P energy: -18.500
tors. eta vs tors. theta energy: -31.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -424.413757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.413757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.413757 (E_RNA)
where:
Base-Base interactions energy: -309.662
where: short stacking energy: -125.159
Base-Backbone interact. energy: -1.673
local terms energy: -123.078468
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -19.608
flat angles C4'-P-C4' energy: -26.499
flat angles P-C4'-P energy: -19.867
tors. eta vs tors. theta energy: -39.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -494.822700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.822700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.822700 (E_RNA)
where:
Base-Base interactions energy: -353.276
where: short stacking energy: -149.628
Base-Backbone interact. energy: -0.017
local terms energy: -151.529271
where:
bonds (distance) C4'-P energy: -27.078
bonds (distance) P-C4' energy: -25.278
flat angles C4'-P-C4' energy: -33.417
flat angles P-C4'-P energy: -22.398
tors. eta vs tors. theta energy: -43.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -490.291533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.291533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.291533 (E_RNA)
where:
Base-Base interactions energy: -352.293
where: short stacking energy: -151.949
Base-Backbone interact. energy: -0.816
local terms energy: -147.182818
where:
bonds (distance) C4'-P energy: -23.970
bonds (distance) P-C4' energy: -29.068
flat angles C4'-P-C4' energy: -29.428
flat angles P-C4'-P energy: -20.505
tors. eta vs tors. theta energy: -44.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -482.544868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.544868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.544868 (E_RNA)
where:
Base-Base interactions energy: -344.336
where: short stacking energy: -141.728
Base-Backbone interact. energy: 0.011
local terms energy: -148.219958
where:
bonds (distance) C4'-P energy: -30.674
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -28.115
flat angles P-C4'-P energy: -21.450
tors. eta vs tors. theta energy: -45.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -473.497649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.497649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.497649 (E_RNA)
where:
Base-Base interactions energy: -342.643
where: short stacking energy: -131.913
Base-Backbone interact. energy: -0.270
local terms energy: -140.584282
where:
bonds (distance) C4'-P energy: -20.130
bonds (distance) P-C4' energy: -28.030
flat angles C4'-P-C4' energy: -28.648
flat angles P-C4'-P energy: -21.791
tors. eta vs tors. theta energy: -41.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -462.607210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.607210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.607210 (E_RNA)
where:
Base-Base interactions energy: -338.598
where: short stacking energy: -131.101
Base-Backbone interact. energy: 0.308
local terms energy: -134.317050
where:
bonds (distance) C4'-P energy: -25.711
bonds (distance) P-C4' energy: -24.563
flat angles C4'-P-C4' energy: -25.047
flat angles P-C4'-P energy: -19.514
tors. eta vs tors. theta energy: -39.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -456.708014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.708014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.708014 (E_RNA)
where:
Base-Base interactions energy: -319.987
where: short stacking energy: -145.849
Base-Backbone interact. energy: -0.661
local terms energy: -146.060352
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -24.609
flat angles C4'-P-C4' energy: -30.581
flat angles P-C4'-P energy: -23.598
tors. eta vs tors. theta energy: -42.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -450.048019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.048019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.048019 (E_RNA)
where:
Base-Base interactions energy: -323.993
where: short stacking energy: -141.324
Base-Backbone interact. energy: -1.345
local terms energy: -134.709878
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -29.510
flat angles P-C4'-P energy: -21.138
tors. eta vs tors. theta energy: -39.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -445.086268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.086268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.086268 (E_RNA)
where:
Base-Base interactions energy: -330.191
where: short stacking energy: -133.834
Base-Backbone interact. energy: -0.590
local terms energy: -124.305194
where:
bonds (distance) C4'-P energy: -18.260
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -24.718
flat angles P-C4'-P energy: -22.543
tors. eta vs tors. theta energy: -40.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -437.144575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.144575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.144575 (E_RNA)
where:
Base-Base interactions energy: -320.645
where: short stacking energy: -131.774
Base-Backbone interact. energy: 0.142
local terms energy: -126.641039
where:
bonds (distance) C4'-P energy: -21.393
bonds (distance) P-C4' energy: -24.783
flat angles C4'-P-C4' energy: -28.966
flat angles P-C4'-P energy: -15.343
tors. eta vs tors. theta energy: -36.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -408.964404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.964404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.964404 (E_RNA)
where:
Base-Base interactions energy: -296.413
where: short stacking energy: -117.129
Base-Backbone interact. energy: -0.020
local terms energy: -122.530995
where:
bonds (distance) C4'-P energy: -26.603
bonds (distance) P-C4' energy: -18.996
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -40.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -502.182814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.182814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.182814 (E_RNA)
where:
Base-Base interactions energy: -355.785
where: short stacking energy: -153.331
Base-Backbone interact. energy: -0.241
local terms energy: -156.156785
where:
bonds (distance) C4'-P energy: -22.736
bonds (distance) P-C4' energy: -33.212
flat angles C4'-P-C4' energy: -34.236
flat angles P-C4'-P energy: -21.506
tors. eta vs tors. theta energy: -44.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -482.916201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.916201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.916201 (E_RNA)
where:
Base-Base interactions energy: -348.163
where: short stacking energy: -142.417
Base-Backbone interact. energy: -0.298
local terms energy: -144.454661
where:
bonds (distance) C4'-P energy: -23.121
bonds (distance) P-C4' energy: -23.139
flat angles C4'-P-C4' energy: -32.163
flat angles P-C4'-P energy: -21.321
tors. eta vs tors. theta energy: -44.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -476.442655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.442655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.442655 (E_RNA)
where:
Base-Base interactions energy: -342.910
where: short stacking energy: -141.919
Base-Backbone interact. energy: -0.029
local terms energy: -143.504147
where:
bonds (distance) C4'-P energy: -22.217
bonds (distance) P-C4' energy: -27.658
flat angles C4'-P-C4' energy: -29.000
flat angles P-C4'-P energy: -21.861
tors. eta vs tors. theta energy: -42.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -475.577897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.577897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.577897 (E_RNA)
where:
Base-Base interactions energy: -341.471
where: short stacking energy: -141.688
Base-Backbone interact. energy: -0.649
local terms energy: -143.457459
where:
bonds (distance) C4'-P energy: -24.716
bonds (distance) P-C4' energy: -32.989
flat angles C4'-P-C4' energy: -27.038
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -44.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -464.071254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.071254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.071254 (E_RNA)
where:
Base-Base interactions energy: -331.065
where: short stacking energy: -139.332
Base-Backbone interact. energy: 0.326
local terms energy: -143.332640
where:
bonds (distance) C4'-P energy: -21.709
bonds (distance) P-C4' energy: -26.675
flat angles C4'-P-C4' energy: -30.585
flat angles P-C4'-P energy: -23.864
tors. eta vs tors. theta energy: -40.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -452.795522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.795522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.795522 (E_RNA)
where:
Base-Base interactions energy: -325.491
where: short stacking energy: -140.249
Base-Backbone interact. energy: -0.106
local terms energy: -137.198770
where:
bonds (distance) C4'-P energy: -21.469
bonds (distance) P-C4' energy: -27.014
flat angles C4'-P-C4' energy: -29.910
flat angles P-C4'-P energy: -17.189
tors. eta vs tors. theta energy: -41.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -433.418953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.418953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.418953 (E_RNA)
where:
Base-Base interactions energy: -311.489
where: short stacking energy: -129.147
Base-Backbone interact. energy: -0.129
local terms energy: -131.801219
where:
bonds (distance) C4'-P energy: -24.535
bonds (distance) P-C4' energy: -23.397
flat angles C4'-P-C4' energy: -27.397
flat angles P-C4'-P energy: -15.968
tors. eta vs tors. theta energy: -40.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -440.783665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.783665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.783665 (E_RNA)
where:
Base-Base interactions energy: -322.236
where: short stacking energy: -126.378
Base-Backbone interact. energy: -0.211
local terms energy: -128.336495
where:
bonds (distance) C4'-P energy: -21.430
bonds (distance) P-C4' energy: -26.188
flat angles C4'-P-C4' energy: -26.823
flat angles P-C4'-P energy: -16.619
tors. eta vs tors. theta energy: -37.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -421.022254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.022254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.022254 (E_RNA)
where:
Base-Base interactions energy: -309.050
where: short stacking energy: -121.763
Base-Backbone interact. energy: -0.008
local terms energy: -121.963791
where:
bonds (distance) C4'-P energy: -21.231
bonds (distance) P-C4' energy: -23.870
flat angles C4'-P-C4' energy: -25.704
flat angles P-C4'-P energy: -17.333
tors. eta vs tors. theta energy: -33.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -419.594374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.594374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.594374 (E_RNA)
where:
Base-Base interactions energy: -312.342
where: short stacking energy: -132.916
Base-Backbone interact. energy: -0.076
local terms energy: -117.176245
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -26.176
flat angles C4'-P-C4' energy: -23.059
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -38.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -493.060779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.060779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.060779 (E_RNA)
where:
Base-Base interactions energy: -348.917
where: short stacking energy: -138.596
Base-Backbone interact. energy: -0.930
local terms energy: -153.213540
where:
bonds (distance) C4'-P energy: -28.979
bonds (distance) P-C4' energy: -29.461
flat angles C4'-P-C4' energy: -33.156
flat angles P-C4'-P energy: -15.429
tors. eta vs tors. theta energy: -46.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -489.636232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.636232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.636232 (E_RNA)
where:
Base-Base interactions energy: -356.022
where: short stacking energy: -149.136
Base-Backbone interact. energy: -0.007
local terms energy: -143.607388
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -25.030
flat angles C4'-P-C4' energy: -33.021
flat angles P-C4'-P energy: -20.850
tors. eta vs tors. theta energy: -44.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -488.791406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.791406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.791406 (E_RNA)
where:
Base-Base interactions energy: -358.341
where: short stacking energy: -145.893
Base-Backbone interact. energy: -0.919
local terms energy: -139.531205
where:
bonds (distance) C4'-P energy: -29.422
bonds (distance) P-C4' energy: -23.331
flat angles C4'-P-C4' energy: -31.228
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -41.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -474.429867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.429867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.429867 (E_RNA)
where:
Base-Base interactions energy: -340.052
where: short stacking energy: -136.385
Base-Backbone interact. energy: -0.763
local terms energy: -143.615594
where:
bonds (distance) C4'-P energy: -23.939
bonds (distance) P-C4' energy: -25.903
flat angles C4'-P-C4' energy: -30.446
flat angles P-C4'-P energy: -22.427
tors. eta vs tors. theta energy: -40.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -471.875562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.875562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.875562 (E_RNA)
where:
Base-Base interactions energy: -330.760
where: short stacking energy: -141.644
Base-Backbone interact. energy: -0.608
local terms energy: -150.508322
where:
bonds (distance) C4'-P energy: -28.640
bonds (distance) P-C4' energy: -25.780
flat angles C4'-P-C4' energy: -31.321
flat angles P-C4'-P energy: -23.665
tors. eta vs tors. theta energy: -41.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -444.145912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.145912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.145912 (E_RNA)
where:
Base-Base interactions energy: -323.422
where: short stacking energy: -136.862
Base-Backbone interact. energy: -0.022
local terms energy: -130.701046
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -23.614
flat angles C4'-P-C4' energy: -30.094
flat angles P-C4'-P energy: -16.939
tors. eta vs tors. theta energy: -42.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -464.661472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.661472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.661472 (E_RNA)
where:
Base-Base interactions energy: -336.349
where: short stacking energy: -135.279
Base-Backbone interact. energy: -0.126
local terms energy: -138.186765
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -27.262
flat angles C4'-P-C4' energy: -28.913
flat angles P-C4'-P energy: -17.873
tors. eta vs tors. theta energy: -43.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -433.264620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.264620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.264620 (E_RNA)
where:
Base-Base interactions energy: -308.539
where: short stacking energy: -131.545
Base-Backbone interact. energy: -0.054
local terms energy: -134.671952
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -25.422
flat angles C4'-P-C4' energy: -26.158
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: -45.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -423.306381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.306381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.306381 (E_RNA)
where:
Base-Base interactions energy: -303.146
where: short stacking energy: -127.416
Base-Backbone interact. energy: -0.078
local terms energy: -130.082855
where:
bonds (distance) C4'-P energy: -25.753
bonds (distance) P-C4' energy: -30.844
flat angles C4'-P-C4' energy: -21.914
flat angles P-C4'-P energy: -15.764
tors. eta vs tors. theta energy: -35.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -414.423930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.423930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.423930 (E_RNA)
where:
Base-Base interactions energy: -312.605
where: short stacking energy: -121.364
Base-Backbone interact. energy: -0.081
local terms energy: -111.737823
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -27.071
flat angles P-C4'-P energy: -19.101
tors. eta vs tors. theta energy: -44.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -500.331291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.331291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.331291 (E_RNA)
where:
Base-Base interactions energy: -355.527
where: short stacking energy: -153.729
Base-Backbone interact. energy: -0.264
local terms energy: -154.540629
where:
bonds (distance) C4'-P energy: -23.653
bonds (distance) P-C4' energy: -31.119
flat angles C4'-P-C4' energy: -29.825
flat angles P-C4'-P energy: -25.287
tors. eta vs tors. theta energy: -44.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -493.554257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.554257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.554257 (E_RNA)
where:
Base-Base interactions energy: -340.386
where: short stacking energy: -152.927
Base-Backbone interact. energy: -0.010
local terms energy: -163.158362
where:
bonds (distance) C4'-P energy: -23.143
bonds (distance) P-C4' energy: -32.005
flat angles C4'-P-C4' energy: -36.008
flat angles P-C4'-P energy: -23.397
tors. eta vs tors. theta energy: -48.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -483.308074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.308074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.308074 (E_RNA)
where:
Base-Base interactions energy: -341.265
where: short stacking energy: -147.452
Base-Backbone interact. energy: -0.657
local terms energy: -151.385554
where:
bonds (distance) C4'-P energy: -17.564
bonds (distance) P-C4' energy: -33.026
flat angles C4'-P-C4' energy: -31.650
flat angles P-C4'-P energy: -23.766
tors. eta vs tors. theta energy: -45.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -471.716495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.716495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.716495 (E_RNA)
where:
Base-Base interactions energy: -338.988
where: short stacking energy: -135.006
Base-Backbone interact. energy: -0.553
local terms energy: -142.175318
where:
bonds (distance) C4'-P energy: -25.852
bonds (distance) P-C4' energy: -21.724
flat angles C4'-P-C4' energy: -27.068
flat angles P-C4'-P energy: -24.078
tors. eta vs tors. theta energy: -43.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -457.183153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.183153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.183153 (E_RNA)
where:
Base-Base interactions energy: -328.682
where: short stacking energy: -134.189
Base-Backbone interact. energy: -0.027
local terms energy: -138.473398
where:
bonds (distance) C4'-P energy: -20.511
bonds (distance) P-C4' energy: -29.661
flat angles C4'-P-C4' energy: -24.985
flat angles P-C4'-P energy: -19.292
tors. eta vs tors. theta energy: -44.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -474.605440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.605440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.605440 (E_RNA)
where:
Base-Base interactions energy: -336.491
where: short stacking energy: -141.605
Base-Backbone interact. energy: -0.446
local terms energy: -147.668524
where:
bonds (distance) C4'-P energy: -29.642
bonds (distance) P-C4' energy: -21.871
flat angles C4'-P-C4' energy: -27.938
flat angles P-C4'-P energy: -22.639
tors. eta vs tors. theta energy: -45.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -436.582002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.582002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.582002 (E_RNA)
where:
Base-Base interactions energy: -309.842
where: short stacking energy: -130.938
Base-Backbone interact. energy: -0.327
local terms energy: -136.412667
where:
bonds (distance) C4'-P energy: -21.620
bonds (distance) P-C4' energy: -28.638
flat angles C4'-P-C4' energy: -27.987
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -43.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -426.529295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.529295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.529295 (E_RNA)
where:
Base-Base interactions energy: -303.803
where: short stacking energy: -128.622
Base-Backbone interact. energy: 0.359
local terms energy: -133.084958
where:
bonds (distance) C4'-P energy: -22.117
bonds (distance) P-C4' energy: -25.171
flat angles C4'-P-C4' energy: -27.922
flat angles P-C4'-P energy: -21.942
tors. eta vs tors. theta energy: -35.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -417.031290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.031290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.031290 (E_RNA)
where:
Base-Base interactions energy: -307.698
where: short stacking energy: -121.568
Base-Backbone interact. energy: -0.105
local terms energy: -119.228825
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -27.739
flat angles P-C4'-P energy: -17.402
tors. eta vs tors. theta energy: -37.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -403.827464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.827464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.827464 (E_RNA)
where:
Base-Base interactions energy: -298.534
where: short stacking energy: -129.781
Base-Backbone interact. energy: -0.345
local terms energy: -114.948361
where:
bonds (distance) C4'-P energy: -21.071
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -24.768
flat angles P-C4'-P energy: -18.779
tors. eta vs tors. theta energy: -36.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -494.621853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.621853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.621853 (E_RNA)
where:
Base-Base interactions energy: -356.043
where: short stacking energy: -147.204
Base-Backbone interact. energy: -0.156
local terms energy: -148.423160
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -25.124
flat angles C4'-P-C4' energy: -30.410
flat angles P-C4'-P energy: -22.455
tors. eta vs tors. theta energy: -44.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -493.381263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.381263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.381263 (E_RNA)
where:
Base-Base interactions energy: -342.443
where: short stacking energy: -142.544
Base-Backbone interact. energy: -0.001
local terms energy: -160.936963
where:
bonds (distance) C4'-P energy: -25.463
bonds (distance) P-C4' energy: -28.877
flat angles C4'-P-C4' energy: -31.206
flat angles P-C4'-P energy: -28.426
tors. eta vs tors. theta energy: -46.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -479.112663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.112663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.112663 (E_RNA)
where:
Base-Base interactions energy: -339.451
where: short stacking energy: -144.979
Base-Backbone interact. energy: 0.343
local terms energy: -150.005131
where:
bonds (distance) C4'-P energy: -29.187
bonds (distance) P-C4' energy: -28.313
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -19.288
tors. eta vs tors. theta energy: -42.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -479.817334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.817334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.817334 (E_RNA)
where:
Base-Base interactions energy: -340.974
where: short stacking energy: -143.881
Base-Backbone interact. energy: -0.146
local terms energy: -148.697598
where:
bonds (distance) C4'-P energy: -29.310
bonds (distance) P-C4' energy: -24.032
flat angles C4'-P-C4' energy: -26.421
flat angles P-C4'-P energy: -23.282
tors. eta vs tors. theta energy: -45.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -465.923965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.923965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.923965 (E_RNA)
where:
Base-Base interactions energy: -332.480
where: short stacking energy: -142.934
Base-Backbone interact. energy: -0.095
local terms energy: -143.349237
where:
bonds (distance) C4'-P energy: -23.502
bonds (distance) P-C4' energy: -25.249
flat angles C4'-P-C4' energy: -32.294
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -43.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -459.394996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.394996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.394996 (E_RNA)
where:
Base-Base interactions energy: -323.899
where: short stacking energy: -141.009
Base-Backbone interact. energy: -0.007
local terms energy: -145.488617
where:
bonds (distance) C4'-P energy: -26.288
bonds (distance) P-C4' energy: -29.843
flat angles C4'-P-C4' energy: -23.777
flat angles P-C4'-P energy: -19.313
tors. eta vs tors. theta energy: -46.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -453.406167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.406167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.406167 (E_RNA)
where:
Base-Base interactions energy: -326.448
where: short stacking energy: -143.189
Base-Backbone interact. energy: -0.115
local terms energy: -136.842433
where:
bonds (distance) C4'-P energy: -21.141
bonds (distance) P-C4' energy: -23.646
flat angles C4'-P-C4' energy: -29.133
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: -44.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -405.101912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.101912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.101912 (E_RNA)
where:
Base-Base interactions energy: -290.286
where: short stacking energy: -121.889
Base-Backbone interact. energy: -0.487
local terms energy: -124.329596
where:
bonds (distance) C4'-P energy: -25.890
bonds (distance) P-C4' energy: -25.123
flat angles C4'-P-C4' energy: -23.899
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -36.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -408.276322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.276322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.276322 (E_RNA)
where:
Base-Base interactions energy: -297.713
where: short stacking energy: -124.030
Base-Backbone interact. energy: -0.719
local terms energy: -119.844882
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -21.922
flat angles C4'-P-C4' energy: -23.345
flat angles P-C4'-P energy: -19.472
tors. eta vs tors. theta energy: -37.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -404.283093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.283093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.283093 (E_RNA)
where:
Base-Base interactions energy: -289.016
where: short stacking energy: -121.323
Base-Backbone interact. energy: -0.021
local terms energy: -125.246167
where:
bonds (distance) C4'-P energy: -23.689
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -25.377
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -40.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -495.477877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.477877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.477877 (E_RNA)
where:
Base-Base interactions energy: -358.929
where: short stacking energy: -150.219
Base-Backbone interact. energy: -0.852
local terms energy: -145.696458
where:
bonds (distance) C4'-P energy: -27.153
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -28.121
flat angles P-C4'-P energy: -21.844
tors. eta vs tors. theta energy: -47.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -492.843602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.843602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.843602 (E_RNA)
where:
Base-Base interactions energy: -350.911
where: short stacking energy: -158.646
Base-Backbone interact. energy: -0.002
local terms energy: -151.931259
where:
bonds (distance) C4'-P energy: -24.478
bonds (distance) P-C4' energy: -31.533
flat angles C4'-P-C4' energy: -27.884
flat angles P-C4'-P energy: -21.276
tors. eta vs tors. theta energy: -46.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -472.621257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.621257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.621257 (E_RNA)
where:
Base-Base interactions energy: -350.331
where: short stacking energy: -140.952
Base-Backbone interact. energy: -0.838
local terms energy: -131.452451
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -25.211
flat angles C4'-P-C4' energy: -29.157
flat angles P-C4'-P energy: -21.998
tors. eta vs tors. theta energy: -40.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -470.550944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.550944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.550944 (E_RNA)
where:
Base-Base interactions energy: -341.512
where: short stacking energy: -144.318
Base-Backbone interact. energy: -0.599
local terms energy: -138.439977
where:
bonds (distance) C4'-P energy: -28.370
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -23.343
flat angles P-C4'-P energy: -22.224
tors. eta vs tors. theta energy: -42.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -468.668583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.668583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.668583 (E_RNA)
where:
Base-Base interactions energy: -337.823
where: short stacking energy: -134.498
Base-Backbone interact. energy: -0.680
local terms energy: -140.165937
where:
bonds (distance) C4'-P energy: -24.339
bonds (distance) P-C4' energy: -26.286
flat angles C4'-P-C4' energy: -28.048
flat angles P-C4'-P energy: -22.040
tors. eta vs tors. theta energy: -39.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -451.165480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.165480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.165480 (E_RNA)
where:
Base-Base interactions energy: -327.292
where: short stacking energy: -128.012
Base-Backbone interact. energy: -0.354
local terms energy: -133.519399
where:
bonds (distance) C4'-P energy: -21.531
bonds (distance) P-C4' energy: -29.769
flat angles C4'-P-C4' energy: -28.481
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -40.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -447.176907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.176907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.176907 (E_RNA)
where:
Base-Base interactions energy: -324.094
where: short stacking energy: -128.169
Base-Backbone interact. energy: -0.184
local terms energy: -132.898328
where:
bonds (distance) C4'-P energy: -28.468
bonds (distance) P-C4' energy: -22.432
flat angles C4'-P-C4' energy: -27.631
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -38.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -425.178447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.178447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.178447 (E_RNA)
where:
Base-Base interactions energy: -306.247
where: short stacking energy: -120.478
Base-Backbone interact. energy: 0.254
local terms energy: -129.185455
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -24.922
flat angles C4'-P-C4' energy: -26.583
flat angles P-C4'-P energy: -23.564
tors. eta vs tors. theta energy: -35.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -393.276112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.276112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.276112 (E_RNA)
where:
Base-Base interactions energy: -277.023
where: short stacking energy: -118.802
Base-Backbone interact. energy: -0.133
local terms energy: -126.119337
where:
bonds (distance) C4'-P energy: -22.385
bonds (distance) P-C4' energy: -24.872
flat angles C4'-P-C4' energy: -25.842
flat angles P-C4'-P energy: -19.561
tors. eta vs tors. theta energy: -33.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -408.012967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.012967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.012967 (E_RNA)
where:
Base-Base interactions energy: -286.664
where: short stacking energy: -116.759
Base-Backbone interact. energy: -0.368
local terms energy: -130.981424
where:
bonds (distance) C4'-P energy: -20.574
bonds (distance) P-C4' energy: -26.020
flat angles C4'-P-C4' energy: -28.205
flat angles P-C4'-P energy: -18.269
tors. eta vs tors. theta energy: -37.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -504.047588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.047588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.047588 (E_RNA)
where:
Base-Base interactions energy: -363.957
where: short stacking energy: -148.902
Base-Backbone interact. energy: -0.031
local terms energy: -150.059404
where:
bonds (distance) C4'-P energy: -27.297
bonds (distance) P-C4' energy: -29.265
flat angles C4'-P-C4' energy: -28.142
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -46.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -488.299634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.299634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.299634 (E_RNA)
where:
Base-Base interactions energy: -345.961
where: short stacking energy: -142.100
Base-Backbone interact. energy: -0.349
local terms energy: -151.988743
where:
bonds (distance) C4'-P energy: -25.695
bonds (distance) P-C4' energy: -29.922
flat angles C4'-P-C4' energy: -29.772
flat angles P-C4'-P energy: -22.630
tors. eta vs tors. theta energy: -43.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -483.584751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.584751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.584751 (E_RNA)
where:
Base-Base interactions energy: -341.048
where: short stacking energy: -145.436
Base-Backbone interact. energy: -0.481
local terms energy: -152.056306
where:
bonds (distance) C4'-P energy: -21.508
bonds (distance) P-C4' energy: -32.804
flat angles C4'-P-C4' energy: -29.169
flat angles P-C4'-P energy: -23.954
tors. eta vs tors. theta energy: -44.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -465.825091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.825091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.825091 (E_RNA)
where:
Base-Base interactions energy: -326.872
where: short stacking energy: -131.726
Base-Backbone interact. energy: 0.104
local terms energy: -149.057204
where:
bonds (distance) C4'-P energy: -28.005
bonds (distance) P-C4' energy: -27.003
flat angles C4'-P-C4' energy: -30.191
flat angles P-C4'-P energy: -24.903
tors. eta vs tors. theta energy: -38.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -452.611713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.611713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.611713 (E_RNA)
where:
Base-Base interactions energy: -325.202
where: short stacking energy: -132.695
Base-Backbone interact. energy: -0.111
local terms energy: -137.299316
where:
bonds (distance) C4'-P energy: -22.077
bonds (distance) P-C4' energy: -22.147
flat angles C4'-P-C4' energy: -26.165
flat angles P-C4'-P energy: -24.223
tors. eta vs tors. theta energy: -42.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -453.123251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.123251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.123251 (E_RNA)
where:
Base-Base interactions energy: -333.037
where: short stacking energy: -138.481
Base-Backbone interact. energy: -0.307
local terms energy: -129.779645
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -24.312
flat angles P-C4'-P energy: -19.920
tors. eta vs tors. theta energy: -39.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -450.390302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.390302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.390302 (E_RNA)
where:
Base-Base interactions energy: -324.562
where: short stacking energy: -139.678
Base-Backbone interact. energy: -0.004
local terms energy: -135.824467
where:
bonds (distance) C4'-P energy: -24.305
bonds (distance) P-C4' energy: -21.855
flat angles C4'-P-C4' energy: -24.486
flat angles P-C4'-P energy: -22.661
tors. eta vs tors. theta energy: -42.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -448.786376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.786376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.786376 (E_RNA)
where:
Base-Base interactions energy: -325.781
where: short stacking energy: -134.865
Base-Backbone interact. energy: -0.011
local terms energy: -132.994906
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -26.061
flat angles C4'-P-C4' energy: -31.181
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -38.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -407.793199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.793199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.793199 (E_RNA)
where:
Base-Base interactions energy: -297.523
where: short stacking energy: -115.623
Base-Backbone interact. energy: 0.052
local terms energy: -120.321370
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -23.717
flat angles C4'-P-C4' energy: -26.581
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -36.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -370.546455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.546455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.546455 (E_RNA)
where:
Base-Base interactions energy: -280.466
where: short stacking energy: -110.416
Base-Backbone interact. energy: -0.132
local terms energy: -99.948992
where:
bonds (distance) C4'-P energy: -26.901
bonds (distance) P-C4' energy: -15.031
flat angles C4'-P-C4' energy: -15.806
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -34.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -504.736105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.736105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.736105 (E_RNA)
where:
Base-Base interactions energy: -375.054
where: short stacking energy: -156.837
Base-Backbone interact. energy: -0.013
local terms energy: -139.669654
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -27.756
flat angles C4'-P-C4' energy: -30.889
flat angles P-C4'-P energy: -17.395
tors. eta vs tors. theta energy: -45.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -485.592321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.592321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.592321 (E_RNA)
where:
Base-Base interactions energy: -348.030
where: short stacking energy: -148.423
Base-Backbone interact. energy: -0.589
local terms energy: -146.973766
where:
bonds (distance) C4'-P energy: -23.167
bonds (distance) P-C4' energy: -24.013
flat angles C4'-P-C4' energy: -29.915
flat angles P-C4'-P energy: -26.475
tors. eta vs tors. theta energy: -43.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -473.419947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.419947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.419947 (E_RNA)
where:
Base-Base interactions energy: -340.896
where: short stacking energy: -132.824
Base-Backbone interact. energy: -0.024
local terms energy: -142.500274
where:
bonds (distance) C4'-P energy: -23.980
bonds (distance) P-C4' energy: -26.465
flat angles C4'-P-C4' energy: -30.571
flat angles P-C4'-P energy: -21.249
tors. eta vs tors. theta energy: -40.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -468.254322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.254322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.254322 (E_RNA)
where:
Base-Base interactions energy: -343.765
where: short stacking energy: -150.344
Base-Backbone interact. energy: -0.382
local terms energy: -134.106894
where:
bonds (distance) C4'-P energy: -21.593
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -28.084
flat angles P-C4'-P energy: -18.483
tors. eta vs tors. theta energy: -45.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -469.653080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.653080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.653080 (E_RNA)
where:
Base-Base interactions energy: -340.314
where: short stacking energy: -142.271
Base-Backbone interact. energy: -0.026
local terms energy: -139.312476
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -28.711
flat angles C4'-P-C4' energy: -27.040
flat angles P-C4'-P energy: -18.805
tors. eta vs tors. theta energy: -45.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -449.770621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.770621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.770621 (E_RNA)
where:
Base-Base interactions energy: -318.926
where: short stacking energy: -140.804
Base-Backbone interact. energy: -0.327
local terms energy: -140.517913
where:
bonds (distance) C4'-P energy: -24.716
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -28.032
flat angles P-C4'-P energy: -21.580
tors. eta vs tors. theta energy: -44.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -430.958293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.958293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.958293 (E_RNA)
where:
Base-Base interactions energy: -313.250
where: short stacking energy: -127.074
Base-Backbone interact. energy: -0.141
local terms energy: -127.567469
where:
bonds (distance) C4'-P energy: -20.821
bonds (distance) P-C4' energy: -25.534
flat angles C4'-P-C4' energy: -27.272
flat angles P-C4'-P energy: -15.462
tors. eta vs tors. theta energy: -38.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -420.419689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.419689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.419689 (E_RNA)
where:
Base-Base interactions energy: -299.130
where: short stacking energy: -119.025
Base-Backbone interact. energy: -0.447
local terms energy: -130.842234
where:
bonds (distance) C4'-P energy: -27.983
bonds (distance) P-C4' energy: -26.718
flat angles C4'-P-C4' energy: -28.188
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -34.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -403.954780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.954780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.954780 (E_RNA)
where:
Base-Base interactions energy: -296.497
where: short stacking energy: -118.250
Base-Backbone interact. energy: -1.401
local terms energy: -116.057158
where:
bonds (distance) C4'-P energy: -28.407
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -16.138
tors. eta vs tors. theta energy: -32.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -375.568651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.568651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.568651 (E_RNA)
where:
Base-Base interactions energy: -278.813
where: short stacking energy: -113.307
Base-Backbone interact. energy: -0.113
local terms energy: -106.642778
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -23.711
flat angles C4'-P-C4' energy: -23.796
flat angles P-C4'-P energy: -14.884
tors. eta vs tors. theta energy: -28.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -498.549308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.549308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.549308 (E_RNA)
where:
Base-Base interactions energy: -351.554
where: short stacking energy: -153.795
Base-Backbone interact. energy: -0.876
local terms energy: -156.119947
where:
bonds (distance) C4'-P energy: -24.449
bonds (distance) P-C4' energy: -31.878
flat angles C4'-P-C4' energy: -30.129
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: -46.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -490.213314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.213314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.213314 (E_RNA)
where:
Base-Base interactions energy: -357.043
where: short stacking energy: -141.648
Base-Backbone interact. energy: -0.456
local terms energy: -142.714550
where:
bonds (distance) C4'-P energy: -25.835
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -31.894
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -44.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -480.519195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.519195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.519195 (E_RNA)
where:
Base-Base interactions energy: -348.067
where: short stacking energy: -147.021
Base-Backbone interact. energy: -0.575
local terms energy: -141.877272
where:
bonds (distance) C4'-P energy: -21.714
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -31.813
flat angles P-C4'-P energy: -23.047
tors. eta vs tors. theta energy: -43.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -463.938357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.938357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.938357 (E_RNA)
where:
Base-Base interactions energy: -332.761
where: short stacking energy: -137.564
Base-Backbone interact. energy: -1.354
local terms energy: -139.824021
where:
bonds (distance) C4'-P energy: -24.457
bonds (distance) P-C4' energy: -31.957
flat angles C4'-P-C4' energy: -28.914
flat angles P-C4'-P energy: -17.429
tors. eta vs tors. theta energy: -37.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -471.549855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.549855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.549855 (E_RNA)
where:
Base-Base interactions energy: -337.532
where: short stacking energy: -144.449
Base-Backbone interact. energy: -0.106
local terms energy: -143.911440
where:
bonds (distance) C4'-P energy: -28.533
bonds (distance) P-C4' energy: -27.046
flat angles C4'-P-C4' energy: -24.467
flat angles P-C4'-P energy: -21.263
tors. eta vs tors. theta energy: -42.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -462.014456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.014456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.014456 (E_RNA)
where:
Base-Base interactions energy: -325.672
where: short stacking energy: -139.248
Base-Backbone interact. energy: -0.106
local terms energy: -146.237198
where:
bonds (distance) C4'-P energy: -26.908
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -32.125
flat angles P-C4'-P energy: -19.893
tors. eta vs tors. theta energy: -44.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -446.104218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.104218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.104218 (E_RNA)
where:
Base-Base interactions energy: -316.960
where: short stacking energy: -129.988
Base-Backbone interact. energy: 0.348
local terms energy: -139.492049
where:
bonds (distance) C4'-P energy: -29.565
bonds (distance) P-C4' energy: -23.873
flat angles C4'-P-C4' energy: -29.472
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: -37.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -434.543839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.543839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.543839 (E_RNA)
where:
Base-Base interactions energy: -302.908
where: short stacking energy: -125.009
Base-Backbone interact. energy: -0.169
local terms energy: -141.466981
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -26.359
flat angles C4'-P-C4' energy: -31.106
flat angles P-C4'-P energy: -24.790
tors. eta vs tors. theta energy: -36.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -401.712729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.712729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.712729 (E_RNA)
where:
Base-Base interactions energy: -297.782
where: short stacking energy: -125.586
Base-Backbone interact. energy: -0.289
local terms energy: -113.641415
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -17.454
flat angles C4'-P-C4' energy: -23.152
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -35.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -372.851744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.851744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.851744 (E_RNA)
where:
Base-Base interactions energy: -283.693
where: short stacking energy: -117.128
Base-Backbone interact. energy: -0.998
local terms energy: -98.161676
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -23.105
flat angles P-C4'-P energy: -19.738
tors. eta vs tors. theta energy: -32.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -499.278560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.278560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.278560 (E_RNA)
where:
Base-Base interactions energy: -351.141
where: short stacking energy: -148.952
Base-Backbone interact. energy: -0.301
local terms energy: -157.837173
where:
bonds (distance) C4'-P energy: -25.673
bonds (distance) P-C4' energy: -29.581
flat angles C4'-P-C4' energy: -30.359
flat angles P-C4'-P energy: -25.713
tors. eta vs tors. theta energy: -46.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -499.622195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.622195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.622195 (E_RNA)
where:
Base-Base interactions energy: -355.523
where: short stacking energy: -140.082
Base-Backbone interact. energy: -0.226
local terms energy: -153.872700
where:
bonds (distance) C4'-P energy: -25.522
bonds (distance) P-C4' energy: -25.118
flat angles C4'-P-C4' energy: -31.675
flat angles P-C4'-P energy: -27.782
tors. eta vs tors. theta energy: -43.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -472.029773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.029773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.029773 (E_RNA)
where:
Base-Base interactions energy: -336.505
where: short stacking energy: -142.792
Base-Backbone interact. energy: 0.129
local terms energy: -145.653015
where:
bonds (distance) C4'-P energy: -27.999
bonds (distance) P-C4' energy: -24.198
flat angles C4'-P-C4' energy: -27.861
flat angles P-C4'-P energy: -21.928
tors. eta vs tors. theta energy: -43.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -475.565568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.565568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.565568 (E_RNA)
where:
Base-Base interactions energy: -345.489
where: short stacking energy: -141.826
Base-Backbone interact. energy: -0.815
local terms energy: -139.261865
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -23.911
flat angles C4'-P-C4' energy: -29.150
flat angles P-C4'-P energy: -17.909
tors. eta vs tors. theta energy: -46.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -457.559273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.559273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.559273 (E_RNA)
where:
Base-Base interactions energy: -324.146
where: short stacking energy: -133.112
Base-Backbone interact. energy: -1.121
local terms energy: -142.291992
where:
bonds (distance) C4'-P energy: -24.721
bonds (distance) P-C4' energy: -28.087
flat angles C4'-P-C4' energy: -27.779
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -41.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -454.349324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.349324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.349324 (E_RNA)
where:
Base-Base interactions energy: -325.449
where: short stacking energy: -138.962
Base-Backbone interact. energy: -0.042
local terms energy: -138.858268
where:
bonds (distance) C4'-P energy: -25.285
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -26.500
flat angles P-C4'-P energy: -24.689
tors. eta vs tors. theta energy: -42.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -437.849511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.849511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.849511 (E_RNA)
where:
Base-Base interactions energy: -322.318
where: short stacking energy: -135.141
Base-Backbone interact. energy: -0.543
local terms energy: -124.988241
where:
bonds (distance) C4'-P energy: -19.423
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -27.419
flat angles P-C4'-P energy: -23.233
tors. eta vs tors. theta energy: -38.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -437.366472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.366472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.366472 (E_RNA)
where:
Base-Base interactions energy: -317.277
where: short stacking energy: -134.862
Base-Backbone interact. energy: -0.735
local terms energy: -129.354623
where:
bonds (distance) C4'-P energy: -17.643
bonds (distance) P-C4' energy: -26.459
flat angles C4'-P-C4' energy: -22.112
flat angles P-C4'-P energy: -19.100
tors. eta vs tors. theta energy: -44.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -409.868202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.868202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.868202 (E_RNA)
where:
Base-Base interactions energy: -295.639
where: short stacking energy: -123.384
Base-Backbone interact. energy: -0.222
local terms energy: -124.007984
where:
bonds (distance) C4'-P energy: -20.731
bonds (distance) P-C4' energy: -24.170
flat angles C4'-P-C4' energy: -26.916
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -39.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -394.100594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.100594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.100594 (E_RNA)
where:
Base-Base interactions energy: -294.910
where: short stacking energy: -122.096
Base-Backbone interact. energy: -0.297
local terms energy: -108.893841
where:
bonds (distance) C4'-P energy: -24.838
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -20.362
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -37.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -508.137762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.137762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.137762 (E_RNA)
where:
Base-Base interactions energy: -358.752
where: short stacking energy: -141.845
Base-Backbone interact. energy: -0.737
local terms energy: -158.648718
where:
bonds (distance) C4'-P energy: -30.679
bonds (distance) P-C4' energy: -29.284
flat angles C4'-P-C4' energy: -30.883
flat angles P-C4'-P energy: -23.701
tors. eta vs tors. theta energy: -44.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -490.194641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.194641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.194641 (E_RNA)
where:
Base-Base interactions energy: -349.931
where: short stacking energy: -147.031
Base-Backbone interact. energy: -1.313
local terms energy: -148.950691
where:
bonds (distance) C4'-P energy: -27.612
bonds (distance) P-C4' energy: -31.677
flat angles C4'-P-C4' energy: -26.900
flat angles P-C4'-P energy: -17.732
tors. eta vs tors. theta energy: -45.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -479.544673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.544673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.544673 (E_RNA)
where:
Base-Base interactions energy: -338.044
where: short stacking energy: -142.216
Base-Backbone interact. energy: -1.228
local terms energy: -150.272736
where:
bonds (distance) C4'-P energy: -26.176
bonds (distance) P-C4' energy: -27.327
flat angles C4'-P-C4' energy: -29.606
flat angles P-C4'-P energy: -22.943
tors. eta vs tors. theta energy: -44.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -476.048150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.048150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.048150 (E_RNA)
where:
Base-Base interactions energy: -335.687
where: short stacking energy: -144.629
Base-Backbone interact. energy: 1.635
local terms energy: -151.996164
where:
bonds (distance) C4'-P energy: -26.536
bonds (distance) P-C4' energy: -28.265
flat angles C4'-P-C4' energy: -32.406
flat angles P-C4'-P energy: -21.518
tors. eta vs tors. theta energy: -43.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -453.493020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.493020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.493020 (E_RNA)
where:
Base-Base interactions energy: -327.652
where: short stacking energy: -118.970
Base-Backbone interact. energy: 0.060
local terms energy: -135.901339
where:
bonds (distance) C4'-P energy: -29.238
bonds (distance) P-C4' energy: -26.710
flat angles C4'-P-C4' energy: -23.549
flat angles P-C4'-P energy: -19.996
tors. eta vs tors. theta energy: -36.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -465.169050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.169050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.169050 (E_RNA)
where:
Base-Base interactions energy: -332.344
where: short stacking energy: -144.547
Base-Backbone interact. energy: -0.002
local terms energy: -142.822341
where:
bonds (distance) C4'-P energy: -22.823
bonds (distance) P-C4' energy: -27.441
flat angles C4'-P-C4' energy: -31.727
flat angles P-C4'-P energy: -16.950
tors. eta vs tors. theta energy: -43.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -448.678792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.678792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.678792 (E_RNA)
where:
Base-Base interactions energy: -328.319
where: short stacking energy: -138.548
Base-Backbone interact. energy: -0.012
local terms energy: -130.347565
where:
bonds (distance) C4'-P energy: -23.930
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -28.340
flat angles P-C4'-P energy: -17.112
tors. eta vs tors. theta energy: -39.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -446.754463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.754463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.754463 (E_RNA)
where:
Base-Base interactions energy: -327.705
where: short stacking energy: -131.489
Base-Backbone interact. energy: -0.302
local terms energy: -128.747306
where:
bonds (distance) C4'-P energy: -21.550
bonds (distance) P-C4' energy: -23.447
flat angles C4'-P-C4' energy: -28.579
flat angles P-C4'-P energy: -14.651
tors. eta vs tors. theta energy: -40.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -414.563648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.563648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.563648 (E_RNA)
where:
Base-Base interactions energy: -316.663
where: short stacking energy: -130.975
Base-Backbone interact. energy: -0.116
local terms energy: -107.785370
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -11.385
flat angles C4'-P-C4' energy: -22.221
flat angles P-C4'-P energy: -16.606
tors. eta vs tors. theta energy: -40.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -383.971792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.971792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.971792 (E_RNA)
where:
Base-Base interactions energy: -283.351
where: short stacking energy: -117.028
Base-Backbone interact. energy: -0.311
local terms energy: -110.310202
where:
bonds (distance) C4'-P energy: -20.990
bonds (distance) P-C4' energy: -13.823
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -20.535
tors. eta vs tors. theta energy: -33.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -508.348665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.348665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.348665 (E_RNA)
where:
Base-Base interactions energy: -362.463
where: short stacking energy: -148.739
Base-Backbone interact. energy: -0.267
local terms energy: -155.619051
where:
bonds (distance) C4'-P energy: -24.663
bonds (distance) P-C4' energy: -29.910
flat angles C4'-P-C4' energy: -30.610
flat angles P-C4'-P energy: -24.644
tors. eta vs tors. theta energy: -45.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -492.504036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.504036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.504036 (E_RNA)
where:
Base-Base interactions energy: -356.873
where: short stacking energy: -151.515
Base-Backbone interact. energy: -0.712
local terms energy: -144.918938
where:
bonds (distance) C4'-P energy: -26.850
bonds (distance) P-C4' energy: -27.378
flat angles C4'-P-C4' energy: -26.731
flat angles P-C4'-P energy: -22.933
tors. eta vs tors. theta energy: -41.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -479.672560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.672560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.672560 (E_RNA)
where:
Base-Base interactions energy: -348.581
where: short stacking energy: -145.640
Base-Backbone interact. energy: -0.008
local terms energy: -141.083620
where:
bonds (distance) C4'-P energy: -23.440
bonds (distance) P-C4' energy: -26.459
flat angles C4'-P-C4' energy: -28.920
flat angles P-C4'-P energy: -19.031
tors. eta vs tors. theta energy: -43.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -485.008793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.008793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.008793 (E_RNA)
where:
Base-Base interactions energy: -345.013
where: short stacking energy: -142.142
Base-Backbone interact. energy: -0.041
local terms energy: -149.955053
where:
bonds (distance) C4'-P energy: -27.678
bonds (distance) P-C4' energy: -24.770
flat angles C4'-P-C4' energy: -31.740
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: -46.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -439.030912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.030912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.030912 (E_RNA)
where:
Base-Base interactions energy: -313.250
where: short stacking energy: -127.907
Base-Backbone interact. energy: -0.087
local terms energy: -135.693127
where:
bonds (distance) C4'-P energy: -21.837
bonds (distance) P-C4' energy: -26.461
flat angles C4'-P-C4' energy: -27.241
flat angles P-C4'-P energy: -15.476
tors. eta vs tors. theta energy: -44.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -457.170065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.170065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.170065 (E_RNA)
where:
Base-Base interactions energy: -327.266
where: short stacking energy: -130.345
Base-Backbone interact. energy: -0.024
local terms energy: -139.880503
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -21.698
flat angles C4'-P-C4' energy: -30.866
flat angles P-C4'-P energy: -20.560
tors. eta vs tors. theta energy: -42.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -446.876108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.876108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.876108 (E_RNA)
where:
Base-Base interactions energy: -316.742
where: short stacking energy: -131.698
Base-Backbone interact. energy: -0.009
local terms energy: -140.124591
where:
bonds (distance) C4'-P energy: -24.887
bonds (distance) P-C4' energy: -28.994
flat angles C4'-P-C4' energy: -25.782
flat angles P-C4'-P energy: -20.317
tors. eta vs tors. theta energy: -40.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -436.000278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.000278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.000278 (E_RNA)
where:
Base-Base interactions energy: -306.666
where: short stacking energy: -125.794
Base-Backbone interact. energy: -0.513
local terms energy: -138.821467
where:
bonds (distance) C4'-P energy: -25.218
bonds (distance) P-C4' energy: -29.629
flat angles C4'-P-C4' energy: -25.980
flat angles P-C4'-P energy: -20.599
tors. eta vs tors. theta energy: -37.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -420.411475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.411475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.411475 (E_RNA)
where:
Base-Base interactions energy: -298.802
where: short stacking energy: -120.197
Base-Backbone interact. energy: -0.001
local terms energy: -131.608110
where:
bonds (distance) C4'-P energy: -24.325
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -24.777
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -43.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -413.728415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.728415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.728415 (E_RNA)
where:
Base-Base interactions energy: -304.866
where: short stacking energy: -125.506
Base-Backbone interact. energy: -0.937
local terms energy: -117.925951
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -23.726
flat angles C4'-P-C4' energy: -21.901
flat angles P-C4'-P energy: -17.739
tors. eta vs tors. theta energy: -37.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -500.687335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.687335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.687335 (E_RNA)
where:
Base-Base interactions energy: -353.249
where: short stacking energy: -134.840
Base-Backbone interact. energy: -0.183
local terms energy: -157.255588
where:
bonds (distance) C4'-P energy: -27.662
bonds (distance) P-C4' energy: -29.000
flat angles C4'-P-C4' energy: -32.115
flat angles P-C4'-P energy: -24.236
tors. eta vs tors. theta energy: -44.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -480.800856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.800856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.800856 (E_RNA)
where:
Base-Base interactions energy: -344.655
where: short stacking energy: -136.286
Base-Backbone interact. energy: -0.104
local terms energy: -146.042290
where:
bonds (distance) C4'-P energy: -23.011
bonds (distance) P-C4' energy: -26.247
flat angles C4'-P-C4' energy: -27.441
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -44.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -474.327731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.327731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.327731 (E_RNA)
where:
Base-Base interactions energy: -339.530
where: short stacking energy: -142.327
Base-Backbone interact. energy: -0.106
local terms energy: -144.692188
where:
bonds (distance) C4'-P energy: -28.324
bonds (distance) P-C4' energy: -25.449
flat angles C4'-P-C4' energy: -29.061
flat angles P-C4'-P energy: -17.489
tors. eta vs tors. theta energy: -44.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -465.815505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.815505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.815505 (E_RNA)
where:
Base-Base interactions energy: -328.440
where: short stacking energy: -138.033
Base-Backbone interact. energy: -0.087
local terms energy: -147.287875
where:
bonds (distance) C4'-P energy: -25.352
bonds (distance) P-C4' energy: -31.976
flat angles C4'-P-C4' energy: -26.494
flat angles P-C4'-P energy: -21.830
tors. eta vs tors. theta energy: -41.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -478.038041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.038041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.038041 (E_RNA)
where:
Base-Base interactions energy: -344.120
where: short stacking energy: -137.971
Base-Backbone interact. energy: -0.006
local terms energy: -143.912379
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -28.180
flat angles C4'-P-C4' energy: -28.212
flat angles P-C4'-P energy: -24.513
tors. eta vs tors. theta energy: -45.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -426.132996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.132996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.132996 (E_RNA)
where:
Base-Base interactions energy: -312.856
where: short stacking energy: -117.982
Base-Backbone interact. energy: -0.693
local terms energy: -122.583523
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -27.160
flat angles C4'-P-C4' energy: -25.488
flat angles P-C4'-P energy: -18.348
tors. eta vs tors. theta energy: -33.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -430.450440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.450440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.450440 (E_RNA)
where:
Base-Base interactions energy: -317.315
where: short stacking energy: -131.048
Base-Backbone interact. energy: 0.032
local terms energy: -123.167335
where:
bonds (distance) C4'-P energy: -25.198
bonds (distance) P-C4' energy: -23.448
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -21.198
tors. eta vs tors. theta energy: -36.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -425.590143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.590143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.590143 (E_RNA)
where:
Base-Base interactions energy: -319.509
where: short stacking energy: -135.506
Base-Backbone interact. energy: -0.020
local terms energy: -116.061113
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -18.821
flat angles C4'-P-C4' energy: -21.522
flat angles P-C4'-P energy: -16.556
tors. eta vs tors. theta energy: -41.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -418.412711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.412711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.412711 (E_RNA)
where:
Base-Base interactions energy: -299.087
where: short stacking energy: -131.108
Base-Backbone interact. energy: -0.349
local terms energy: -128.977261
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -23.346
flat angles C4'-P-C4' energy: -29.157
flat angles P-C4'-P energy: -15.782
tors. eta vs tors. theta energy: -41.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -413.855210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.855210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.855210 (E_RNA)
where:
Base-Base interactions energy: -303.978
where: short stacking energy: -118.951
Base-Backbone interact. energy: -0.296
local terms energy: -119.581335
where:
bonds (distance) C4'-P energy: -7.141
bonds (distance) P-C4' energy: -31.095
flat angles C4'-P-C4' energy: -24.104
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -34.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -500.413892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.413892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.413892 (E_RNA)
where:
Base-Base interactions energy: -352.301
where: short stacking energy: -153.623
Base-Backbone interact. energy: -0.026
local terms energy: -158.086732
where:
bonds (distance) C4'-P energy: -29.088
bonds (distance) P-C4' energy: -26.658
flat angles C4'-P-C4' energy: -31.707
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -44.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -491.616032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.616032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.616032 (E_RNA)
where:
Base-Base interactions energy: -355.920
where: short stacking energy: -152.631
Base-Backbone interact. energy: -0.954
local terms energy: -144.742319
where:
bonds (distance) C4'-P energy: -20.406
bonds (distance) P-C4' energy: -28.035
flat angles C4'-P-C4' energy: -28.185
flat angles P-C4'-P energy: -23.491
tors. eta vs tors. theta energy: -44.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -484.674554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.674554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.674554 (E_RNA)
where:
Base-Base interactions energy: -339.351
where: short stacking energy: -141.187
Base-Backbone interact. energy: -0.012
local terms energy: -155.311352
where:
bonds (distance) C4'-P energy: -27.454
bonds (distance) P-C4' energy: -28.530
flat angles C4'-P-C4' energy: -31.107
flat angles P-C4'-P energy: -23.536
tors. eta vs tors. theta energy: -44.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -477.186984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.186984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.186984 (E_RNA)
where:
Base-Base interactions energy: -340.973
where: short stacking energy: -135.814
Base-Backbone interact. energy: -0.038
local terms energy: -146.176237
where:
bonds (distance) C4'-P energy: -25.575
bonds (distance) P-C4' energy: -27.545
flat angles C4'-P-C4' energy: -27.374
flat angles P-C4'-P energy: -21.710
tors. eta vs tors. theta energy: -43.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -458.778248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.778248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.778248 (E_RNA)
where:
Base-Base interactions energy: -324.222
where: short stacking energy: -139.837
Base-Backbone interact. energy: -0.220
local terms energy: -144.335922
where:
bonds (distance) C4'-P energy: -24.733
bonds (distance) P-C4' energy: -26.267
flat angles C4'-P-C4' energy: -30.620
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -39.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -433.931945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.931945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.931945 (E_RNA)
where:
Base-Base interactions energy: -315.763
where: short stacking energy: -130.904
Base-Backbone interact. energy: 1.167
local terms energy: -129.335688
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -26.677
flat angles C4'-P-C4' energy: -27.444
flat angles P-C4'-P energy: -20.667
tors. eta vs tors. theta energy: -34.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -436.007818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.007818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.007818 (E_RNA)
where:
Base-Base interactions energy: -317.795
where: short stacking energy: -132.150
Base-Backbone interact. energy: -0.044
local terms energy: -128.168741
where:
bonds (distance) C4'-P energy: -22.764
bonds (distance) P-C4' energy: -21.394
flat angles C4'-P-C4' energy: -26.360
flat angles P-C4'-P energy: -19.839
tors. eta vs tors. theta energy: -37.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -429.208845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.208845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.208845 (E_RNA)
where:
Base-Base interactions energy: -302.490
where: short stacking energy: -123.172
Base-Backbone interact. energy: -0.010
local terms energy: -136.709433
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -28.332
flat angles C4'-P-C4' energy: -25.440
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -39.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -420.431469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.431469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.431469 (E_RNA)
where:
Base-Base interactions energy: -305.720
where: short stacking energy: -132.157
Base-Backbone interact. energy: 2.167
local terms energy: -126.879356
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -21.493
flat angles C4'-P-C4' energy: -29.749
flat angles P-C4'-P energy: -16.075
tors. eta vs tors. theta energy: -39.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -401.209300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.209300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.209300 (E_RNA)
where:
Base-Base interactions energy: -293.083
where: short stacking energy: -120.153
Base-Backbone interact. energy: -0.699
local terms energy: -117.427137
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -25.187
flat angles P-C4'-P energy: -19.164
tors. eta vs tors. theta energy: -35.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -489.922176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.922176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.922176 (E_RNA)
where:
Base-Base interactions energy: -349.056
where: short stacking energy: -146.961
Base-Backbone interact. energy: -0.799
local terms energy: -150.067284
where:
bonds (distance) C4'-P energy: -25.878
bonds (distance) P-C4' energy: -27.131
flat angles C4'-P-C4' energy: -31.902
flat angles P-C4'-P energy: -20.401
tors. eta vs tors. theta energy: -44.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -495.031794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.031794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.031794 (E_RNA)
where:
Base-Base interactions energy: -352.451
where: short stacking energy: -145.094
Base-Backbone interact. energy: -0.003
local terms energy: -152.577565
where:
bonds (distance) C4'-P energy: -25.787
bonds (distance) P-C4' energy: -28.973
flat angles C4'-P-C4' energy: -32.905
flat angles P-C4'-P energy: -22.089
tors. eta vs tors. theta energy: -42.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -486.368194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.368194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.368194 (E_RNA)
where:
Base-Base interactions energy: -344.877
where: short stacking energy: -155.868
Base-Backbone interact. energy: -0.248
local terms energy: -151.243572
where:
bonds (distance) C4'-P energy: -24.268
bonds (distance) P-C4' energy: -30.149
flat angles C4'-P-C4' energy: -31.241
flat angles P-C4'-P energy: -19.253
tors. eta vs tors. theta energy: -46.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -469.183822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.183822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.183822 (E_RNA)
where:
Base-Base interactions energy: -338.585
where: short stacking energy: -140.501
Base-Backbone interact. energy: 1.638
local terms energy: -142.236143
where:
bonds (distance) C4'-P energy: -24.862
bonds (distance) P-C4' energy: -21.869
flat angles C4'-P-C4' energy: -29.052
flat angles P-C4'-P energy: -21.647
tors. eta vs tors. theta energy: -44.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -475.231209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.231209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.231209 (E_RNA)
where:
Base-Base interactions energy: -346.968
where: short stacking energy: -144.491
Base-Backbone interact. energy: -0.232
local terms energy: -138.031298
where:
bonds (distance) C4'-P energy: -21.260
bonds (distance) P-C4' energy: -27.554
flat angles C4'-P-C4' energy: -29.650
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -46.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -460.595342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.595342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.595342 (E_RNA)
where:
Base-Base interactions energy: -326.221
where: short stacking energy: -133.021
Base-Backbone interact. energy: -0.157
local terms energy: -144.217350
where:
bonds (distance) C4'-P energy: -21.128
bonds (distance) P-C4' energy: -24.292
flat angles C4'-P-C4' energy: -30.651
flat angles P-C4'-P energy: -23.084
tors. eta vs tors. theta energy: -45.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -436.829519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.829519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.829519 (E_RNA)
where:
Base-Base interactions energy: -322.684
where: short stacking energy: -128.940
Base-Backbone interact. energy: -0.213
local terms energy: -123.931635
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -21.957
flat angles C4'-P-C4' energy: -26.675
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -40.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -422.147041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.147041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.147041 (E_RNA)
where:
Base-Base interactions energy: -309.437
where: short stacking energy: -121.948
Base-Backbone interact. energy: 0.072
local terms energy: -122.782055
where:
bonds (distance) C4'-P energy: -29.218
bonds (distance) P-C4' energy: -24.315
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -35.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -413.919924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.919924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.919924 (E_RNA)
where:
Base-Base interactions energy: -308.612
where: short stacking energy: -123.831
Base-Backbone interact. energy: 0.517
local terms energy: -115.824619
where:
bonds (distance) C4'-P energy: -21.978
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -23.044
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -34.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -420.510505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.510505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.510505 (E_RNA)
where:
Base-Base interactions energy: -304.314
where: short stacking energy: -119.878
Base-Backbone interact. energy: 0.166
local terms energy: -126.361827
where:
bonds (distance) C4'-P energy: -27.347
bonds (distance) P-C4' energy: -21.133
flat angles C4'-P-C4' energy: -23.727
flat angles P-C4'-P energy: -17.571
tors. eta vs tors. theta energy: -36.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -489.079685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.079685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.079685 (E_RNA)
where:
Base-Base interactions energy: -355.001
where: short stacking energy: -148.875
Base-Backbone interact. energy: -0.102
local terms energy: -143.975956
where:
bonds (distance) C4'-P energy: -23.281
bonds (distance) P-C4' energy: -28.545
flat angles C4'-P-C4' energy: -28.815
flat angles P-C4'-P energy: -21.907
tors. eta vs tors. theta energy: -41.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -493.867502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.867502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.867502 (E_RNA)
where:
Base-Base interactions energy: -346.784
where: short stacking energy: -143.286
Base-Backbone interact. energy: -0.740
local terms energy: -156.343590
where:
bonds (distance) C4'-P energy: -24.954
bonds (distance) P-C4' energy: -31.398
flat angles C4'-P-C4' energy: -33.103
flat angles P-C4'-P energy: -23.038
tors. eta vs tors. theta energy: -43.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -480.784506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.784506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.784506 (E_RNA)
where:
Base-Base interactions energy: -336.166
where: short stacking energy: -146.762
Base-Backbone interact. energy: -0.016
local terms energy: -154.601553
where:
bonds (distance) C4'-P energy: -30.348
bonds (distance) P-C4' energy: -22.428
flat angles C4'-P-C4' energy: -31.867
flat angles P-C4'-P energy: -23.429
tors. eta vs tors. theta energy: -46.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -470.845280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.845280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.845280 (E_RNA)
where:
Base-Base interactions energy: -338.110
where: short stacking energy: -153.365
Base-Backbone interact. energy: -0.762
local terms energy: -141.972746
where:
bonds (distance) C4'-P energy: -26.954
bonds (distance) P-C4' energy: -26.001
flat angles C4'-P-C4' energy: -28.216
flat angles P-C4'-P energy: -17.917
tors. eta vs tors. theta energy: -42.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -451.581796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.581796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.581796 (E_RNA)
where:
Base-Base interactions energy: -313.986
where: short stacking energy: -130.644
Base-Backbone interact. energy: -0.002
local terms energy: -147.593320
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -29.713
flat angles C4'-P-C4' energy: -30.920
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: -44.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -462.307618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.307618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.307618 (E_RNA)
where:
Base-Base interactions energy: -335.152
where: short stacking energy: -133.244
Base-Backbone interact. energy: -0.060
local terms energy: -137.095684
where:
bonds (distance) C4'-P energy: -21.510
bonds (distance) P-C4' energy: -30.692
flat angles C4'-P-C4' energy: -25.228
flat angles P-C4'-P energy: -23.594
tors. eta vs tors. theta energy: -36.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -456.563065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.563065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.563065 (E_RNA)
where:
Base-Base interactions energy: -317.749
where: short stacking energy: -129.663
Base-Backbone interact. energy: -0.094
local terms energy: -148.719851
where:
bonds (distance) C4'-P energy: -28.122
bonds (distance) P-C4' energy: -28.501
flat angles C4'-P-C4' energy: -28.112
flat angles P-C4'-P energy: -22.119
tors. eta vs tors. theta energy: -41.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -439.872584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.872584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.872584 (E_RNA)
where:
Base-Base interactions energy: -334.261
where: short stacking energy: -132.593
Base-Backbone interact. energy: -0.095
local terms energy: -115.517540
where:
bonds (distance) C4'-P energy: -20.109
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -21.546
flat angles P-C4'-P energy: -15.523
tors. eta vs tors. theta energy: -40.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -421.675300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.675300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.675300 (E_RNA)
where:
Base-Base interactions energy: -298.407
where: short stacking energy: -108.650
Base-Backbone interact. energy: 3.310
local terms energy: -136.578452
where:
bonds (distance) C4'-P energy: -25.251
bonds (distance) P-C4' energy: -27.892
flat angles C4'-P-C4' energy: -26.561
flat angles P-C4'-P energy: -21.641
tors. eta vs tors. theta energy: -35.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -423.767343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.767343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.767343 (E_RNA)
where:
Base-Base interactions energy: -300.210
where: short stacking energy: -127.960
Base-Backbone interact. energy: -0.217
local terms energy: -133.339988
where:
bonds (distance) C4'-P energy: -22.042
bonds (distance) P-C4' energy: -26.518
flat angles C4'-P-C4' energy: -25.813
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -43.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -497.088317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.088317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.088317 (E_RNA)
where:
Base-Base interactions energy: -356.029
where: short stacking energy: -151.953
Base-Backbone interact. energy: -0.168
local terms energy: -150.891054
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -26.677
flat angles C4'-P-C4' energy: -29.811
flat angles P-C4'-P energy: -25.530
tors. eta vs tors. theta energy: -45.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -482.560761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.560761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.560761 (E_RNA)
where:
Base-Base interactions energy: -348.065
where: short stacking energy: -149.491
Base-Backbone interact. energy: -0.094
local terms energy: -144.401716
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -29.471
flat angles C4'-P-C4' energy: -24.601
flat angles P-C4'-P energy: -23.182
tors. eta vs tors. theta energy: -44.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -480.158576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.158576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.158576 (E_RNA)
where:
Base-Base interactions energy: -337.213
where: short stacking energy: -140.774
Base-Backbone interact. energy: -0.003
local terms energy: -152.942383
where:
bonds (distance) C4'-P energy: -29.417
bonds (distance) P-C4' energy: -26.925
flat angles C4'-P-C4' energy: -33.216
flat angles P-C4'-P energy: -23.808
tors. eta vs tors. theta energy: -39.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -471.592220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.592220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.592220 (E_RNA)
where:
Base-Base interactions energy: -332.664
where: short stacking energy: -135.901
Base-Backbone interact. energy: -0.109
local terms energy: -148.818942
where:
bonds (distance) C4'-P energy: -25.628
bonds (distance) P-C4' energy: -29.512
flat angles C4'-P-C4' energy: -30.648
flat angles P-C4'-P energy: -20.593
tors. eta vs tors. theta energy: -42.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -461.522246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.522246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.522246 (E_RNA)
where:
Base-Base interactions energy: -329.557
where: short stacking energy: -146.280
Base-Backbone interact. energy: 0.632
local terms energy: -142.597383
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -26.881
flat angles C4'-P-C4' energy: -32.731
flat angles P-C4'-P energy: -23.193
tors. eta vs tors. theta energy: -41.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -459.496821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.496821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.496821 (E_RNA)
where:
Base-Base interactions energy: -336.530
where: short stacking energy: -140.447
Base-Backbone interact. energy: 0.143
local terms energy: -133.110008
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -25.809
flat angles C4'-P-C4' energy: -26.189
flat angles P-C4'-P energy: -21.179
tors. eta vs tors. theta energy: -43.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -452.650356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.650356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.650356 (E_RNA)
where:
Base-Base interactions energy: -333.264
where: short stacking energy: -131.624
Base-Backbone interact. energy: -0.042
local terms energy: -129.344078
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -24.956
flat angles C4'-P-C4' energy: -28.108
flat angles P-C4'-P energy: -17.054
tors. eta vs tors. theta energy: -41.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -446.511126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.511126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.511126 (E_RNA)
where:
Base-Base interactions energy: -323.608
where: short stacking energy: -137.948
Base-Backbone interact. energy: -0.058
local terms energy: -132.844813
where:
bonds (distance) C4'-P energy: -19.733
bonds (distance) P-C4' energy: -22.807
flat angles C4'-P-C4' energy: -31.235
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -40.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -417.739880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.739880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.739880 (E_RNA)
where:
Base-Base interactions energy: -302.146
where: short stacking energy: -133.299
Base-Backbone interact. energy: -0.793
local terms energy: -124.801348
where:
bonds (distance) C4'-P energy: -22.175
bonds (distance) P-C4' energy: -19.931
flat angles C4'-P-C4' energy: -29.346
flat angles P-C4'-P energy: -17.098
tors. eta vs tors. theta energy: -36.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -411.586437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.586437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.586437 (E_RNA)
where:
Base-Base interactions energy: -298.241
where: short stacking energy: -123.970
Base-Backbone interact. energy: -0.179
local terms energy: -123.166886
where:
bonds (distance) C4'-P energy: -22.104
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -32.736
flat angles P-C4'-P energy: -13.331
tors. eta vs tors. theta energy: -38.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -504.331514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.331514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.331514 (E_RNA)
where:
Base-Base interactions energy: -355.852
where: short stacking energy: -153.741
Base-Backbone interact. energy: -0.033
local terms energy: -158.446305
where:
bonds (distance) C4'-P energy: -29.214
bonds (distance) P-C4' energy: -28.326
flat angles C4'-P-C4' energy: -32.504
flat angles P-C4'-P energy: -23.419
tors. eta vs tors. theta energy: -44.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -497.860736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.860736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.860736 (E_RNA)
where:
Base-Base interactions energy: -352.468
where: short stacking energy: -154.077
Base-Backbone interact. energy: -0.003
local terms energy: -155.389607
where:
bonds (distance) C4'-P energy: -27.467
bonds (distance) P-C4' energy: -28.476
flat angles C4'-P-C4' energy: -31.459
flat angles P-C4'-P energy: -24.312
tors. eta vs tors. theta energy: -43.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -482.461039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.461039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.461039 (E_RNA)
where:
Base-Base interactions energy: -344.810
where: short stacking energy: -148.563
Base-Backbone interact. energy: -0.733
local terms energy: -146.917906
where:
bonds (distance) C4'-P energy: -27.417
bonds (distance) P-C4' energy: -25.785
flat angles C4'-P-C4' energy: -29.842
flat angles P-C4'-P energy: -21.117
tors. eta vs tors. theta energy: -42.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -466.278553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.278553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.278553 (E_RNA)
where:
Base-Base interactions energy: -333.723
where: short stacking energy: -137.375
Base-Backbone interact. energy: -0.082
local terms energy: -142.472900
where:
bonds (distance) C4'-P energy: -27.799
bonds (distance) P-C4' energy: -26.069
flat angles C4'-P-C4' energy: -32.708
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -41.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -463.120202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.120202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.120202 (E_RNA)
where:
Base-Base interactions energy: -329.031
where: short stacking energy: -131.245
Base-Backbone interact. energy: -0.068
local terms energy: -144.021527
where:
bonds (distance) C4'-P energy: -26.166
bonds (distance) P-C4' energy: -25.176
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -21.385
tors. eta vs tors. theta energy: -41.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -454.306660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.306660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.306660 (E_RNA)
where:
Base-Base interactions energy: -327.848
where: short stacking energy: -135.984
Base-Backbone interact. energy: -0.686
local terms energy: -135.772509
where:
bonds (distance) C4'-P energy: -20.725
bonds (distance) P-C4' energy: -30.014
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -20.318
tors. eta vs tors. theta energy: -38.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -441.359257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.359257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.359257 (E_RNA)
where:
Base-Base interactions energy: -314.573
where: short stacking energy: -134.377
Base-Backbone interact. energy: -0.178
local terms energy: -136.607780
where:
bonds (distance) C4'-P energy: -31.300
bonds (distance) P-C4' energy: -22.242
flat angles C4'-P-C4' energy: -28.128
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -40.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -424.583850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.583850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.583850 (E_RNA)
where:
Base-Base interactions energy: -300.077
where: short stacking energy: -122.472
Base-Backbone interact. energy: -0.411
local terms energy: -134.095416
where:
bonds (distance) C4'-P energy: -26.252
bonds (distance) P-C4' energy: -24.021
flat angles C4'-P-C4' energy: -24.463
flat angles P-C4'-P energy: -22.603
tors. eta vs tors. theta energy: -36.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -406.963898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.963898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.963898 (E_RNA)
where:
Base-Base interactions energy: -306.238
where: short stacking energy: -120.741
Base-Backbone interact. energy: -0.143
local terms energy: -110.582479
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -23.621
flat angles C4'-P-C4' energy: -26.832
flat angles P-C4'-P energy: -11.625
tors. eta vs tors. theta energy: -32.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -412.070755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.070755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.070755 (E_RNA)
where:
Base-Base interactions energy: -284.847
where: short stacking energy: -123.693
Base-Backbone interact. energy: -0.372
local terms energy: -136.851761
where:
bonds (distance) C4'-P energy: -25.180
bonds (distance) P-C4' energy: -23.488
flat angles C4'-P-C4' energy: -28.319
flat angles P-C4'-P energy: -18.959
tors. eta vs tors. theta energy: -40.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -497.891324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.891324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.891324 (E_RNA)
where:
Base-Base interactions energy: -360.735
where: short stacking energy: -150.988
Base-Backbone interact. energy: -0.079
local terms energy: -147.078016
where:
bonds (distance) C4'-P energy: -22.875
bonds (distance) P-C4' energy: -26.795
flat angles C4'-P-C4' energy: -29.161
flat angles P-C4'-P energy: -21.729
tors. eta vs tors. theta energy: -46.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -496.065046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.065046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.065046 (E_RNA)
where:
Base-Base interactions energy: -353.030
where: short stacking energy: -152.585
Base-Backbone interact. energy: -0.215
local terms energy: -152.820289
where:
bonds (distance) C4'-P energy: -27.015
bonds (distance) P-C4' energy: -23.050
flat angles C4'-P-C4' energy: -33.694
flat angles P-C4'-P energy: -25.108
tors. eta vs tors. theta energy: -43.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -490.505461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.505461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.505461 (E_RNA)
where:
Base-Base interactions energy: -351.349
where: short stacking energy: -142.983
Base-Backbone interact. energy: -0.005
local terms energy: -149.150981
where:
bonds (distance) C4'-P energy: -29.248
bonds (distance) P-C4' energy: -29.674
flat angles C4'-P-C4' energy: -27.478
flat angles P-C4'-P energy: -19.695
tors. eta vs tors. theta energy: -43.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -462.347732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.347732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.347732 (E_RNA)
where:
Base-Base interactions energy: -326.634
where: short stacking energy: -134.102
Base-Backbone interact. energy: -0.105
local terms energy: -145.608976
where:
bonds (distance) C4'-P energy: -27.171
bonds (distance) P-C4' energy: -26.126
flat angles C4'-P-C4' energy: -29.746
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -42.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -463.286880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.286880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.286880 (E_RNA)
where:
Base-Base interactions energy: -318.011
where: short stacking energy: -130.352
Base-Backbone interact. energy: -0.022
local terms energy: -155.254716
where:
bonds (distance) C4'-P energy: -25.067
bonds (distance) P-C4' energy: -27.646
flat angles C4'-P-C4' energy: -33.523
flat angles P-C4'-P energy: -24.315
tors. eta vs tors. theta energy: -44.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -451.946337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.946337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.946337 (E_RNA)
where:
Base-Base interactions energy: -333.384
where: short stacking energy: -135.972
Base-Backbone interact. energy: 0.042
local terms energy: -128.604837
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -25.379
flat angles C4'-P-C4' energy: -25.048
flat angles P-C4'-P energy: -22.953
tors. eta vs tors. theta energy: -40.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -447.894832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.894832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.894832 (E_RNA)
where:
Base-Base interactions energy: -327.861
where: short stacking energy: -141.535
Base-Backbone interact. energy: -0.196
local terms energy: -129.837437
where:
bonds (distance) C4'-P energy: -20.929
bonds (distance) P-C4' energy: -22.244
flat angles C4'-P-C4' energy: -26.720
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -41.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -426.419421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.419421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.419421 (E_RNA)
where:
Base-Base interactions energy: -308.980
where: short stacking energy: -136.964
Base-Backbone interact. energy: -0.130
local terms energy: -127.309088
where:
bonds (distance) C4'-P energy: -25.557
bonds (distance) P-C4' energy: -19.974
flat angles C4'-P-C4' energy: -19.744
flat angles P-C4'-P energy: -20.127
tors. eta vs tors. theta energy: -41.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -416.955738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.955738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.955738 (E_RNA)
where:
Base-Base interactions energy: -308.304
where: short stacking energy: -124.470
Base-Backbone interact. energy: -0.005
local terms energy: -118.646290
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -25.399
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -38.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -407.778119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.778119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.778119 (E_RNA)
where:
Base-Base interactions energy: -301.295
where: short stacking energy: -123.709
Base-Backbone interact. energy: -0.956
local terms energy: -115.526548
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -19.730
flat angles C4'-P-C4' energy: -25.323
flat angles P-C4'-P energy: -15.486
tors. eta vs tors. theta energy: -36.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -506.190785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.190785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.190785 (E_RNA)
where:
Base-Base interactions energy: -358.775
where: short stacking energy: -154.085
Base-Backbone interact. energy: -0.282
local terms energy: -157.133732
where:
bonds (distance) C4'-P energy: -29.817
bonds (distance) P-C4' energy: -29.848
flat angles C4'-P-C4' energy: -28.823
flat angles P-C4'-P energy: -23.600
tors. eta vs tors. theta energy: -45.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -487.699850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.699850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.699850 (E_RNA)
where:
Base-Base interactions energy: -342.185
where: short stacking energy: -145.837
Base-Backbone interact. energy: -0.004
local terms energy: -155.510513
where:
bonds (distance) C4'-P energy: -28.062
bonds (distance) P-C4' energy: -26.593
flat angles C4'-P-C4' energy: -33.813
flat angles P-C4'-P energy: -23.190
tors. eta vs tors. theta energy: -43.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -478.854240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.854240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.854240 (E_RNA)
where:
Base-Base interactions energy: -350.205
where: short stacking energy: -139.643
Base-Backbone interact. energy: -0.124
local terms energy: -138.524612
where:
bonds (distance) C4'-P energy: -23.059
bonds (distance) P-C4' energy: -23.693
flat angles C4'-P-C4' energy: -32.210
flat angles P-C4'-P energy: -19.109
tors. eta vs tors. theta energy: -40.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -477.632043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.632043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.632043 (E_RNA)
where:
Base-Base interactions energy: -341.418
where: short stacking energy: -147.326
Base-Backbone interact. energy: -1.002
local terms energy: -145.212022
where:
bonds (distance) C4'-P energy: -28.154
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -26.732
flat angles P-C4'-P energy: -22.809
tors. eta vs tors. theta energy: -44.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -467.158557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.158557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.158557 (E_RNA)
where:
Base-Base interactions energy: -332.606
where: short stacking energy: -142.016
Base-Backbone interact. energy: -0.289
local terms energy: -144.263359
where:
bonds (distance) C4'-P energy: -23.474
bonds (distance) P-C4' energy: -24.504
flat angles C4'-P-C4' energy: -31.123
flat angles P-C4'-P energy: -21.677
tors. eta vs tors. theta energy: -43.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -456.062579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.062579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.062579 (E_RNA)
where:
Base-Base interactions energy: -322.293
where: short stacking energy: -136.125
Base-Backbone interact. energy: 0.111
local terms energy: -143.880943
where:
bonds (distance) C4'-P energy: -25.273
bonds (distance) P-C4' energy: -25.797
flat angles C4'-P-C4' energy: -28.520
flat angles P-C4'-P energy: -19.430
tors. eta vs tors. theta energy: -44.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -451.447160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.447160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.447160 (E_RNA)
where:
Base-Base interactions energy: -319.017
where: short stacking energy: -134.345
Base-Backbone interact. energy: -0.530
local terms energy: -141.900608
where:
bonds (distance) C4'-P energy: -24.425
bonds (distance) P-C4' energy: -23.236
flat angles C4'-P-C4' energy: -29.406
flat angles P-C4'-P energy: -24.220
tors. eta vs tors. theta energy: -40.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -436.665337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.665337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.665337 (E_RNA)
where:
Base-Base interactions energy: -319.261
where: short stacking energy: -127.545
Base-Backbone interact. energy: -0.094
local terms energy: -127.310864
where:
bonds (distance) C4'-P energy: -20.134
bonds (distance) P-C4' energy: -21.349
flat angles C4'-P-C4' energy: -23.922
flat angles P-C4'-P energy: -21.964
tors. eta vs tors. theta energy: -39.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -429.113100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.113100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.113100 (E_RNA)
where:
Base-Base interactions energy: -312.142
where: short stacking energy: -132.347
Base-Backbone interact. energy: 1.708
local terms energy: -128.679127
where:
bonds (distance) C4'-P energy: -25.853
bonds (distance) P-C4' energy: -22.280
flat angles C4'-P-C4' energy: -26.723
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -40.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -403.874735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.874735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.874735 (E_RNA)
where:
Base-Base interactions energy: -293.534
where: short stacking energy: -126.288
Base-Backbone interact. energy: -0.206
local terms energy: -120.134730
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -27.960
flat angles P-C4'-P energy: -19.942
tors. eta vs tors. theta energy: -33.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -493.678367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.678367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.678367 (E_RNA)
where:
Base-Base interactions energy: -354.151
where: short stacking energy: -152.651
Base-Backbone interact. energy: -0.001
local terms energy: -149.526528
where:
bonds (distance) C4'-P energy: -24.488
bonds (distance) P-C4' energy: -29.509
flat angles C4'-P-C4' energy: -29.920
flat angles P-C4'-P energy: -22.506
tors. eta vs tors. theta energy: -43.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -495.285362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.285362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.285362 (E_RNA)
where:
Base-Base interactions energy: -355.037
where: short stacking energy: -149.375
Base-Backbone interact. energy: -0.103
local terms energy: -150.144893
where:
bonds (distance) C4'-P energy: -24.471
bonds (distance) P-C4' energy: -27.159
flat angles C4'-P-C4' energy: -32.446
flat angles P-C4'-P energy: -23.430
tors. eta vs tors. theta energy: -42.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -482.490641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.490641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.490641 (E_RNA)
where:
Base-Base interactions energy: -356.143
where: short stacking energy: -144.767
Base-Backbone interact. energy: 0.411
local terms energy: -136.759099
where:
bonds (distance) C4'-P energy: -26.889
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -30.600
flat angles P-C4'-P energy: -23.423
tors. eta vs tors. theta energy: -36.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -466.775204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.775204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.775204 (E_RNA)
where:
Base-Base interactions energy: -333.719
where: short stacking energy: -137.681
Base-Backbone interact. energy: 0.341
local terms energy: -143.396473
where:
bonds (distance) C4'-P energy: -28.163
bonds (distance) P-C4' energy: -26.173
flat angles C4'-P-C4' energy: -27.643
flat angles P-C4'-P energy: -16.054
tors. eta vs tors. theta energy: -45.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -456.736917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.736917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.736917 (E_RNA)
where:
Base-Base interactions energy: -334.420
where: short stacking energy: -125.826
Base-Backbone interact. energy: -0.303
local terms energy: -132.013966
where:
bonds (distance) C4'-P energy: -22.324
bonds (distance) P-C4' energy: -25.890
flat angles C4'-P-C4' energy: -27.429
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -40.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -460.450807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.450807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.450807 (E_RNA)
where:
Base-Base interactions energy: -330.670
where: short stacking energy: -132.159
Base-Backbone interact. energy: -0.009
local terms energy: -139.771514
where:
bonds (distance) C4'-P energy: -26.672
bonds (distance) P-C4' energy: -22.937
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -20.764
tors. eta vs tors. theta energy: -39.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -452.513964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.513964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.513964 (E_RNA)
where:
Base-Base interactions energy: -325.596
where: short stacking energy: -127.278
Base-Backbone interact. energy: -0.189
local terms energy: -136.728724
where:
bonds (distance) C4'-P energy: -24.391
bonds (distance) P-C4' energy: -26.728
flat angles C4'-P-C4' energy: -25.691
flat angles P-C4'-P energy: -17.945
tors. eta vs tors. theta energy: -41.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -443.006786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.006786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.006786 (E_RNA)
where:
Base-Base interactions energy: -320.480
where: short stacking energy: -133.746
Base-Backbone interact. energy: -0.364
local terms energy: -132.162968
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -28.479
flat angles C4'-P-C4' energy: -26.201
flat angles P-C4'-P energy: -22.715
tors. eta vs tors. theta energy: -40.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -412.038385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.038385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.038385 (E_RNA)
where:
Base-Base interactions energy: -302.843
where: short stacking energy: -128.914
Base-Backbone interact. energy: -0.093
local terms energy: -119.102163
where:
bonds (distance) C4'-P energy: -17.825
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -28.086
flat angles P-C4'-P energy: -17.876
tors. eta vs tors. theta energy: -34.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -402.909966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.909966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.909966 (E_RNA)
where:
Base-Base interactions energy: -296.524
where: short stacking energy: -116.744
Base-Backbone interact. energy: -0.076
local terms energy: -116.309831
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -24.074
flat angles C4'-P-C4' energy: -23.305
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -33.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -493.863987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.863987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.863987 (E_RNA)
where:
Base-Base interactions energy: -355.129
where: short stacking energy: -148.138
Base-Backbone interact. energy: -0.798
local terms energy: -147.936538
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -23.203
flat angles C4'-P-C4' energy: -32.933
flat angles P-C4'-P energy: -23.159
tors. eta vs tors. theta energy: -46.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -500.291452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.291452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.291452 (E_RNA)
where:
Base-Base interactions energy: -359.655
where: short stacking energy: -157.407
Base-Backbone interact. energy: -0.776
local terms energy: -149.860252
where:
bonds (distance) C4'-P energy: -27.189
bonds (distance) P-C4' energy: -23.741
flat angles C4'-P-C4' energy: -30.507
flat angles P-C4'-P energy: -21.517
tors. eta vs tors. theta energy: -46.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -484.307840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.307840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.307840 (E_RNA)
where:
Base-Base interactions energy: -346.247
where: short stacking energy: -149.390
Base-Backbone interact. energy: -1.108
local terms energy: -146.953700
where:
bonds (distance) C4'-P energy: -25.608
bonds (distance) P-C4' energy: -29.115
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -18.345
tors. eta vs tors. theta energy: -44.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -474.932251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.932251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.932251 (E_RNA)
where:
Base-Base interactions energy: -339.021
where: short stacking energy: -141.384
Base-Backbone interact. energy: -0.162
local terms energy: -145.748776
where:
bonds (distance) C4'-P energy: -27.480
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -29.375
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: -43.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -474.443712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.443712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.443712 (E_RNA)
where:
Base-Base interactions energy: -335.365
where: short stacking energy: -142.557
Base-Backbone interact. energy: -0.820
local terms energy: -148.258630
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -29.832
flat angles C4'-P-C4' energy: -29.258
flat angles P-C4'-P energy: -20.785
tors. eta vs tors. theta energy: -43.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -462.710840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.710840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.710840 (E_RNA)
where:
Base-Base interactions energy: -331.396
where: short stacking energy: -133.623
Base-Backbone interact. energy: -0.012
local terms energy: -141.303195
where:
bonds (distance) C4'-P energy: -25.684
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -29.709
flat angles P-C4'-P energy: -18.838
tors. eta vs tors. theta energy: -46.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -430.216946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.216946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.216946 (E_RNA)
where:
Base-Base interactions energy: -310.726
where: short stacking energy: -126.153
Base-Backbone interact. energy: 1.799
local terms energy: -131.289647
where:
bonds (distance) C4'-P energy: -19.858
bonds (distance) P-C4' energy: -28.139
flat angles C4'-P-C4' energy: -26.420
flat angles P-C4'-P energy: -18.665
tors. eta vs tors. theta energy: -38.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -436.411323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.411323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.411323 (E_RNA)
where:
Base-Base interactions energy: -308.472
where: short stacking energy: -123.295
Base-Backbone interact. energy: -1.246
local terms energy: -136.693946
where:
bonds (distance) C4'-P energy: -31.388
bonds (distance) P-C4' energy: -20.949
flat angles C4'-P-C4' energy: -26.306
flat angles P-C4'-P energy: -17.253
tors. eta vs tors. theta energy: -40.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -412.847427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.847427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.847427 (E_RNA)
where:
Base-Base interactions energy: -292.561
where: short stacking energy: -123.680
Base-Backbone interact. energy: -0.143
local terms energy: -130.143638
where:
bonds (distance) C4'-P energy: -28.192
bonds (distance) P-C4' energy: -23.798
flat angles C4'-P-C4' energy: -26.670
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -35.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -398.400294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.400294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.400294 (E_RNA)
where:
Base-Base interactions energy: -279.208
where: short stacking energy: -110.104
Base-Backbone interact. energy: -0.443
local terms energy: -128.749152
where:
bonds (distance) C4'-P energy: -27.430
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -27.333
flat angles P-C4'-P energy: -21.949
tors. eta vs tors. theta energy: -36.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -488.929715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.929715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.929715 (E_RNA)
where:
Base-Base interactions energy: -356.696
where: short stacking energy: -151.528
Base-Backbone interact. energy: -1.094
local terms energy: -141.139673
where:
bonds (distance) C4'-P energy: -23.232
bonds (distance) P-C4' energy: -24.290
flat angles C4'-P-C4' energy: -30.457
flat angles P-C4'-P energy: -19.330
tors. eta vs tors. theta energy: -43.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -497.429981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.429981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.429981 (E_RNA)
where:
Base-Base interactions energy: -351.103
where: short stacking energy: -143.012
Base-Backbone interact. energy: -0.367
local terms energy: -155.959226
where:
bonds (distance) C4'-P energy: -23.598
bonds (distance) P-C4' energy: -27.636
flat angles C4'-P-C4' energy: -32.003
flat angles P-C4'-P energy: -24.102
tors. eta vs tors. theta energy: -48.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -481.325707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.325707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.325707 (E_RNA)
where:
Base-Base interactions energy: -346.197
where: short stacking energy: -146.479
Base-Backbone interact. energy: -0.008
local terms energy: -145.120031
where:
bonds (distance) C4'-P energy: -24.764
bonds (distance) P-C4' energy: -25.935
flat angles C4'-P-C4' energy: -31.988
flat angles P-C4'-P energy: -16.358
tors. eta vs tors. theta energy: -46.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -479.962531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.962531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.962531 (E_RNA)
where:
Base-Base interactions energy: -338.997
where: short stacking energy: -145.919
Base-Backbone interact. energy: -0.002
local terms energy: -150.963729
where:
bonds (distance) C4'-P energy: -25.967
bonds (distance) P-C4' energy: -29.395
flat angles C4'-P-C4' energy: -29.257
flat angles P-C4'-P energy: -19.686
tors. eta vs tors. theta energy: -46.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -471.210301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.210301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.210301 (E_RNA)
where:
Base-Base interactions energy: -330.186
where: short stacking energy: -138.214
Base-Backbone interact. energy: -0.045
local terms energy: -150.979415
where:
bonds (distance) C4'-P energy: -28.545
bonds (distance) P-C4' energy: -30.707
flat angles C4'-P-C4' energy: -29.931
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -44.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -436.809430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.809430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.809430 (E_RNA)
where:
Base-Base interactions energy: -310.108
where: short stacking energy: -126.792
Base-Backbone interact. energy: -0.111
local terms energy: -136.590691
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -25.035
flat angles C4'-P-C4' energy: -27.530
flat angles P-C4'-P energy: -23.971
tors. eta vs tors. theta energy: -36.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -465.995943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.995943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.995943 (E_RNA)
where:
Base-Base interactions energy: -328.960
where: short stacking energy: -134.425
Base-Backbone interact. energy: -0.541
local terms energy: -146.494836
where:
bonds (distance) C4'-P energy: -24.686
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -28.054
flat angles P-C4'-P energy: -25.060
tors. eta vs tors. theta energy: -41.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -453.820375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.820375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.820375 (E_RNA)
where:
Base-Base interactions energy: -324.633
where: short stacking energy: -134.655
Base-Backbone interact. energy: -0.003
local terms energy: -139.184664
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -25.109
flat angles C4'-P-C4' energy: -28.522
flat angles P-C4'-P energy: -20.940
tors. eta vs tors. theta energy: -43.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -428.112551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.112551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.112551 (E_RNA)
where:
Base-Base interactions energy: -318.591
where: short stacking energy: -129.455
Base-Backbone interact. energy: -0.301
local terms energy: -119.221207
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -22.909
flat angles C4'-P-C4' energy: -22.165
flat angles P-C4'-P energy: -14.479
tors. eta vs tors. theta energy: -40.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -414.259843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.259843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.259843 (E_RNA)
where:
Base-Base interactions energy: -282.496
where: short stacking energy: -116.470
Base-Backbone interact. energy: -0.788
local terms energy: -140.975518
where:
bonds (distance) C4'-P energy: -24.176
bonds (distance) P-C4' energy: -30.934
flat angles C4'-P-C4' energy: -28.822
flat angles P-C4'-P energy: -17.004
tors. eta vs tors. theta energy: -40.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -504.197757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.197757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.197757 (E_RNA)
where:
Base-Base interactions energy: -357.081
where: short stacking energy: -154.965
Base-Backbone interact. energy: -0.758
local terms energy: -156.359266
where:
bonds (distance) C4'-P energy: -26.796
bonds (distance) P-C4' energy: -27.996
flat angles C4'-P-C4' energy: -31.343
flat angles P-C4'-P energy: -25.232
tors. eta vs tors. theta energy: -44.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -492.542048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.542048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.542048 (E_RNA)
where:
Base-Base interactions energy: -351.920
where: short stacking energy: -148.542
Base-Backbone interact. energy: -0.868
local terms energy: -149.754044
where:
bonds (distance) C4'-P energy: -25.247
bonds (distance) P-C4' energy: -28.125
flat angles C4'-P-C4' energy: -30.882
flat angles P-C4'-P energy: -19.712
tors. eta vs tors. theta energy: -45.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -475.516095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.516095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.516095 (E_RNA)
where:
Base-Base interactions energy: -352.012
where: short stacking energy: -152.048
Base-Backbone interact. energy: -0.023
local terms energy: -133.480581
where:
bonds (distance) C4'-P energy: -15.784
bonds (distance) P-C4' energy: -19.973
flat angles C4'-P-C4' energy: -31.707
flat angles P-C4'-P energy: -20.790
tors. eta vs tors. theta energy: -45.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -477.061562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.061562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.061562 (E_RNA)
where:
Base-Base interactions energy: -342.536
where: short stacking energy: -140.589
Base-Backbone interact. energy: -0.050
local terms energy: -144.475324
where:
bonds (distance) C4'-P energy: -28.782
bonds (distance) P-C4' energy: -24.391
flat angles C4'-P-C4' energy: -27.534
flat angles P-C4'-P energy: -18.698
tors. eta vs tors. theta energy: -45.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -474.695724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.695724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.695724 (E_RNA)
where:
Base-Base interactions energy: -332.781
where: short stacking energy: -138.670
Base-Backbone interact. energy: -0.226
local terms energy: -151.688894
where:
bonds (distance) C4'-P energy: -28.990
bonds (distance) P-C4' energy: -27.631
flat angles C4'-P-C4' energy: -31.387
flat angles P-C4'-P energy: -20.148
tors. eta vs tors. theta energy: -43.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -440.388308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.388308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.388308 (E_RNA)
where:
Base-Base interactions energy: -312.243
where: short stacking energy: -134.383
Base-Backbone interact. energy: 0.528
local terms energy: -138.673069
where:
bonds (distance) C4'-P energy: -25.211
bonds (distance) P-C4' energy: -28.517
flat angles C4'-P-C4' energy: -26.018
flat angles P-C4'-P energy: -23.437
tors. eta vs tors. theta energy: -35.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -447.899337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.899337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.899337 (E_RNA)
where:
Base-Base interactions energy: -326.476
where: short stacking energy: -129.567
Base-Backbone interact. energy: 0.947
local terms energy: -132.370690
where:
bonds (distance) C4'-P energy: -20.463
bonds (distance) P-C4' energy: -28.110
flat angles C4'-P-C4' energy: -26.757
flat angles P-C4'-P energy: -19.431
tors. eta vs tors. theta energy: -37.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -432.011545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.011545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.011545 (E_RNA)
where:
Base-Base interactions energy: -319.576
where: short stacking energy: -121.496
Base-Backbone interact. energy: -0.024
local terms energy: -122.411807
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -20.838
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -12.685
tors. eta vs tors. theta energy: -39.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -431.357379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.357379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.357379 (E_RNA)
where:
Base-Base interactions energy: -295.782
where: short stacking energy: -119.372
Base-Backbone interact. energy: 0.397
local terms energy: -145.972695
where:
bonds (distance) C4'-P energy: -28.887
bonds (distance) P-C4' energy: -27.722
flat angles C4'-P-C4' energy: -30.356
flat angles P-C4'-P energy: -15.989
tors. eta vs tors. theta energy: -43.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -402.379192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.379192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.379192 (E_RNA)
where:
Base-Base interactions energy: -282.891
where: short stacking energy: -111.194
Base-Backbone interact. energy: 0.052
local terms energy: -129.540460
where:
bonds (distance) C4'-P energy: -24.751
bonds (distance) P-C4' energy: -27.206
flat angles C4'-P-C4' energy: -25.269
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -36.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -502.628373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.628373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.628373 (E_RNA)
where:
Base-Base interactions energy: -355.634
where: short stacking energy: -145.071
Base-Backbone interact. energy: 1.787
local terms energy: -158.781713
where:
bonds (distance) C4'-P energy: -27.893
bonds (distance) P-C4' energy: -31.499
flat angles C4'-P-C4' energy: -33.629
flat angles P-C4'-P energy: -22.057
tors. eta vs tors. theta energy: -43.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -486.886453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.886453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.886453 (E_RNA)
where:
Base-Base interactions energy: -348.803
where: short stacking energy: -140.905
Base-Backbone interact. energy: -0.309
local terms energy: -147.774838
where:
bonds (distance) C4'-P energy: -26.746
bonds (distance) P-C4' energy: -26.148
flat angles C4'-P-C4' energy: -29.903
flat angles P-C4'-P energy: -21.935
tors. eta vs tors. theta energy: -43.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -484.845048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.845048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.845048 (E_RNA)
where:
Base-Base interactions energy: -347.778
where: short stacking energy: -142.431
Base-Backbone interact. energy: -0.131
local terms energy: -146.936291
where:
bonds (distance) C4'-P energy: -28.202
bonds (distance) P-C4' energy: -27.608
flat angles C4'-P-C4' energy: -30.267
flat angles P-C4'-P energy: -17.370
tors. eta vs tors. theta energy: -43.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -468.081245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.081245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.081245 (E_RNA)
where:
Base-Base interactions energy: -326.791
where: short stacking energy: -137.075
Base-Backbone interact. energy: -0.095
local terms energy: -151.195396
where:
bonds (distance) C4'-P energy: -27.900
bonds (distance) P-C4' energy: -32.334
flat angles C4'-P-C4' energy: -28.690
flat angles P-C4'-P energy: -16.295
tors. eta vs tors. theta energy: -45.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -466.626832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.626832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.626832 (E_RNA)
where:
Base-Base interactions energy: -338.055
where: short stacking energy: -145.173
Base-Backbone interact. energy: -0.258
local terms energy: -138.313274
where:
bonds (distance) C4'-P energy: -19.825
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -32.667
flat angles P-C4'-P energy: -17.832
tors. eta vs tors. theta energy: -42.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -452.082219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.082219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.082219 (E_RNA)
where:
Base-Base interactions energy: -324.885
where: short stacking energy: -131.295
Base-Backbone interact. energy: -0.422
local terms energy: -136.775539
where:
bonds (distance) C4'-P energy: -27.463
bonds (distance) P-C4' energy: -22.115
flat angles C4'-P-C4' energy: -27.431
flat angles P-C4'-P energy: -19.978
tors. eta vs tors. theta energy: -39.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -449.532465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.532465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.532465 (E_RNA)
where:
Base-Base interactions energy: -317.876
where: short stacking energy: -134.235
Base-Backbone interact. energy: 0.047
local terms energy: -141.703677
where:
bonds (distance) C4'-P energy: -23.894
bonds (distance) P-C4' energy: -24.739
flat angles C4'-P-C4' energy: -28.897
flat angles P-C4'-P energy: -19.709
tors. eta vs tors. theta energy: -44.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -422.062806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.062806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.062806 (E_RNA)
where:
Base-Base interactions energy: -299.916
where: short stacking energy: -120.807
Base-Backbone interact. energy: -0.678
local terms energy: -131.469149
where:
bonds (distance) C4'-P energy: -26.117
bonds (distance) P-C4' energy: -20.276
flat angles C4'-P-C4' energy: -28.326
flat angles P-C4'-P energy: -20.762
tors. eta vs tors. theta energy: -35.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -401.536767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.536767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.536767 (E_RNA)
where:
Base-Base interactions energy: -278.403
where: short stacking energy: -117.670
Base-Backbone interact. energy: -0.314
local terms energy: -132.819271
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -23.312
flat angles C4'-P-C4' energy: -27.456
flat angles P-C4'-P energy: -22.852
tors. eta vs tors. theta energy: -38.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -411.696109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.696109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.696109 (E_RNA)
where:
Base-Base interactions energy: -295.703
where: short stacking energy: -123.373
Base-Backbone interact. energy: -0.427
local terms energy: -125.565977
where:
bonds (distance) C4'-P energy: -21.172
bonds (distance) P-C4' energy: -21.384
flat angles C4'-P-C4' energy: -28.608
flat angles P-C4'-P energy: -20.371
tors. eta vs tors. theta energy: -34.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -500.063654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.063654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.063654 (E_RNA)
where:
Base-Base interactions energy: -365.105
where: short stacking energy: -154.268
Base-Backbone interact. energy: -0.003
local terms energy: -144.956415
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -23.273
flat angles C4'-P-C4' energy: -26.889
flat angles P-C4'-P energy: -25.123
tors. eta vs tors. theta energy: -43.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -496.205886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.205886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.205886 (E_RNA)
where:
Base-Base interactions energy: -357.192
where: short stacking energy: -151.329
Base-Backbone interact. energy: -0.660
local terms energy: -148.353792
where:
bonds (distance) C4'-P energy: -27.095
bonds (distance) P-C4' energy: -30.006
flat angles C4'-P-C4' energy: -30.234
flat angles P-C4'-P energy: -18.894
tors. eta vs tors. theta energy: -42.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -483.257568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.257568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.257568 (E_RNA)
where:
Base-Base interactions energy: -345.386
where: short stacking energy: -155.468
Base-Backbone interact. energy: -0.484
local terms energy: -147.387272
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -28.649
flat angles C4'-P-C4' energy: -28.784
flat angles P-C4'-P energy: -19.464
tors. eta vs tors. theta energy: -45.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -478.190675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.190675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.190675 (E_RNA)
where:
Base-Base interactions energy: -331.512
where: short stacking energy: -139.337
Base-Backbone interact. energy: -0.047
local terms energy: -156.631214
where:
bonds (distance) C4'-P energy: -29.163
bonds (distance) P-C4' energy: -29.017
flat angles C4'-P-C4' energy: -30.819
flat angles P-C4'-P energy: -23.120
tors. eta vs tors. theta energy: -44.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -451.306336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.306336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.306336 (E_RNA)
where:
Base-Base interactions energy: -329.545
where: short stacking energy: -134.166
Base-Backbone interact. energy: 1.888
local terms energy: -133.649284
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -26.674
flat angles C4'-P-C4' energy: -29.959
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -42.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -463.331725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.331725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.331725 (E_RNA)
where:
Base-Base interactions energy: -334.695
where: short stacking energy: -140.985
Base-Backbone interact. energy: 0.749
local terms energy: -139.384951
where:
bonds (distance) C4'-P energy: -23.344
bonds (distance) P-C4' energy: -26.156
flat angles C4'-P-C4' energy: -28.141
flat angles P-C4'-P energy: -18.694
tors. eta vs tors. theta energy: -43.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -437.914902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.914902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.914902 (E_RNA)
where:
Base-Base interactions energy: -306.671
where: short stacking energy: -132.537
Base-Backbone interact. energy: -0.008
local terms energy: -141.235306
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -33.727
flat angles P-C4'-P energy: -20.657
tors. eta vs tors. theta energy: -39.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -444.769900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.769900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.769900 (E_RNA)
where:
Base-Base interactions energy: -319.597
where: short stacking energy: -133.727
Base-Backbone interact. energy: -0.593
local terms energy: -134.579746
where:
bonds (distance) C4'-P energy: -23.753
bonds (distance) P-C4' energy: -23.818
flat angles C4'-P-C4' energy: -24.611
flat angles P-C4'-P energy: -17.226
tors. eta vs tors. theta energy: -45.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -416.766519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.766519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.766519 (E_RNA)
where:
Base-Base interactions energy: -292.758
where: short stacking energy: -125.438
Base-Backbone interact. energy: -0.111
local terms energy: -133.897163
where:
bonds (distance) C4'-P energy: -26.966
bonds (distance) P-C4' energy: -27.884
flat angles C4'-P-C4' energy: -30.108
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -38.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -414.771478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.771478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.771478 (E_RNA)
where:
Base-Base interactions energy: -290.761
where: short stacking energy: -118.102
Base-Backbone interact. energy: -1.053
local terms energy: -132.957199
where:
bonds (distance) C4'-P energy: -25.781
bonds (distance) P-C4' energy: -27.720
flat angles C4'-P-C4' energy: -30.197
flat angles P-C4'-P energy: -19.060
tors. eta vs tors. theta energy: -30.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -493.868532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.868532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.868532 (E_RNA)
where:
Base-Base interactions energy: -343.515
where: short stacking energy: -157.141
Base-Backbone interact. energy: -0.583
local terms energy: -159.770519
where:
bonds (distance) C4'-P energy: -27.745
bonds (distance) P-C4' energy: -26.652
flat angles C4'-P-C4' energy: -32.886
flat angles P-C4'-P energy: -22.561
tors. eta vs tors. theta energy: -49.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -496.450380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.450380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.450380 (E_RNA)
where:
Base-Base interactions energy: -357.634
where: short stacking energy: -147.273
Base-Backbone interact. energy: -0.015
local terms energy: -148.801027
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -31.930
flat angles C4'-P-C4' energy: -30.970
flat angles P-C4'-P energy: -14.287
tors. eta vs tors. theta energy: -43.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -480.967517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.967517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.967517 (E_RNA)
where:
Base-Base interactions energy: -346.741
where: short stacking energy: -144.967
Base-Backbone interact. energy: -0.657
local terms energy: -143.570123
where:
bonds (distance) C4'-P energy: -24.159
bonds (distance) P-C4' energy: -30.241
flat angles C4'-P-C4' energy: -26.549
flat angles P-C4'-P energy: -17.771
tors. eta vs tors. theta energy: -44.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -478.584352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.584352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.584352 (E_RNA)
where:
Base-Base interactions energy: -340.596
where: short stacking energy: -138.222
Base-Backbone interact. energy: -0.292
local terms energy: -147.696739
where:
bonds (distance) C4'-P energy: -26.589
bonds (distance) P-C4' energy: -25.197
flat angles C4'-P-C4' energy: -31.772
flat angles P-C4'-P energy: -19.929
tors. eta vs tors. theta energy: -44.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -462.567930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.567930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.567930 (E_RNA)
where:
Base-Base interactions energy: -340.748
where: short stacking energy: -145.461
Base-Backbone interact. energy: -0.027
local terms energy: -131.792608
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -28.822
flat angles P-C4'-P energy: -18.495
tors. eta vs tors. theta energy: -45.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -454.591418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.591418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.591418 (E_RNA)
where:
Base-Base interactions energy: -324.887
where: short stacking energy: -143.890
Base-Backbone interact. energy: -0.874
local terms energy: -138.830346
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -26.564
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -16.690
tors. eta vs tors. theta energy: -45.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -460.903168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.903168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.903168 (E_RNA)
where:
Base-Base interactions energy: -329.548
where: short stacking energy: -140.003
Base-Backbone interact. energy: -0.003
local terms energy: -141.353087
where:
bonds (distance) C4'-P energy: -25.333
bonds (distance) P-C4' energy: -28.806
flat angles C4'-P-C4' energy: -29.364
flat angles P-C4'-P energy: -18.735
tors. eta vs tors. theta energy: -39.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -432.891587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.891587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.891587 (E_RNA)
where:
Base-Base interactions energy: -312.445
where: short stacking energy: -132.521
Base-Backbone interact. energy: 2.680
local terms energy: -133.126568
where:
bonds (distance) C4'-P energy: -21.642
bonds (distance) P-C4' energy: -24.161
flat angles C4'-P-C4' energy: -30.520
flat angles P-C4'-P energy: -18.914
tors. eta vs tors. theta energy: -37.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -426.362245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.362245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.362245 (E_RNA)
where:
Base-Base interactions energy: -304.989
where: short stacking energy: -129.573
Base-Backbone interact. energy: -0.122
local terms energy: -131.250677
where:
bonds (distance) C4'-P energy: -24.687
bonds (distance) P-C4' energy: -20.314
flat angles C4'-P-C4' energy: -26.963
flat angles P-C4'-P energy: -18.476
tors. eta vs tors. theta energy: -40.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -404.583491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.583491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.583491 (E_RNA)
where:
Base-Base interactions energy: -306.891
where: short stacking energy: -120.211
Base-Backbone interact. energy: -0.082
local terms energy: -107.610751
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -22.329
flat angles C4'-P-C4' energy: -24.688
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -35.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -502.020337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.020337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.020337 (E_RNA)
where:
Base-Base interactions energy: -361.158
where: short stacking energy: -155.571
Base-Backbone interact. energy: -0.001
local terms energy: -150.861943
where:
bonds (distance) C4'-P energy: -26.766
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -30.705
flat angles P-C4'-P energy: -22.925
tors. eta vs tors. theta energy: -45.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -496.598978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.598978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.598978 (E_RNA)
where:
Base-Base interactions energy: -357.079
where: short stacking energy: -145.909
Base-Backbone interact. energy: -0.020
local terms energy: -149.500617
where:
bonds (distance) C4'-P energy: -21.824
bonds (distance) P-C4' energy: -28.686
flat angles C4'-P-C4' energy: -30.294
flat angles P-C4'-P energy: -22.365
tors. eta vs tors. theta energy: -46.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -486.971214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.971214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.971214 (E_RNA)
where:
Base-Base interactions energy: -342.877
where: short stacking energy: -144.084
Base-Backbone interact. energy: -0.449
local terms energy: -153.644541
where:
bonds (distance) C4'-P energy: -26.020
bonds (distance) P-C4' energy: -30.271
flat angles C4'-P-C4' energy: -28.714
flat angles P-C4'-P energy: -25.073
tors. eta vs tors. theta energy: -43.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -472.008846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.008846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.008846 (E_RNA)
where:
Base-Base interactions energy: -346.706
where: short stacking energy: -147.885
Base-Backbone interact. energy: 0.211
local terms energy: -135.514017
where:
bonds (distance) C4'-P energy: -23.721
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -29.219
flat angles P-C4'-P energy: -23.951
tors. eta vs tors. theta energy: -43.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -463.697407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.697407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.697407 (E_RNA)
where:
Base-Base interactions energy: -335.609
where: short stacking energy: -139.056
Base-Backbone interact. energy: -0.046
local terms energy: -138.042680
where:
bonds (distance) C4'-P energy: -24.397
bonds (distance) P-C4' energy: -22.104
flat angles C4'-P-C4' energy: -23.020
flat angles P-C4'-P energy: -21.945
tors. eta vs tors. theta energy: -46.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -464.048317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.048317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.048317 (E_RNA)
where:
Base-Base interactions energy: -330.436
where: short stacking energy: -137.076
Base-Backbone interact. energy: -0.267
local terms energy: -143.345549
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -27.287
flat angles C4'-P-C4' energy: -31.897
flat angles P-C4'-P energy: -20.181
tors. eta vs tors. theta energy: -44.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -442.014561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.014561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.014561 (E_RNA)
where:
Base-Base interactions energy: -320.532
where: short stacking energy: -123.682
Base-Backbone interact. energy: -0.944
local terms energy: -130.539482
where:
bonds (distance) C4'-P energy: -20.218
bonds (distance) P-C4' energy: -23.711
flat angles C4'-P-C4' energy: -32.324
flat angles P-C4'-P energy: -14.162
tors. eta vs tors. theta energy: -40.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -435.796929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.796929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.796929 (E_RNA)
where:
Base-Base interactions energy: -314.516
where: short stacking energy: -134.428
Base-Backbone interact. energy: -0.014
local terms energy: -131.267343
where:
bonds (distance) C4'-P energy: -20.341
bonds (distance) P-C4' energy: -23.960
flat angles C4'-P-C4' energy: -22.995
flat angles P-C4'-P energy: -23.814
tors. eta vs tors. theta energy: -40.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -415.595079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.595079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.595079 (E_RNA)
where:
Base-Base interactions energy: -304.450
where: short stacking energy: -126.150
Base-Backbone interact. energy: -0.295
local terms energy: -120.850057
where:
bonds (distance) C4'-P energy: -20.114
bonds (distance) P-C4' energy: -26.807
flat angles C4'-P-C4' energy: -24.352
flat angles P-C4'-P energy: -17.352
tors. eta vs tors. theta energy: -32.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -400.503074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.503074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.503074 (E_RNA)
where:
Base-Base interactions energy: -297.079
where: short stacking energy: -120.236
Base-Backbone interact. energy: -0.123
local terms energy: -113.300676
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -24.299
flat angles C4'-P-C4' energy: -27.207
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -33.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -490.769577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.769577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.769577 (E_RNA)
where:
Base-Base interactions energy: -350.279
where: short stacking energy: -149.472
Base-Backbone interact. energy: -0.084
local terms energy: -150.406237
where:
bonds (distance) C4'-P energy: -26.551
bonds (distance) P-C4' energy: -30.395
flat angles C4'-P-C4' energy: -29.403
flat angles P-C4'-P energy: -20.894
tors. eta vs tors. theta energy: -43.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -497.696020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.696020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.696020 (E_RNA)
where:
Base-Base interactions energy: -354.080
where: short stacking energy: -155.829
Base-Backbone interact. energy: -0.003
local terms energy: -153.613652
where:
bonds (distance) C4'-P energy: -22.394
bonds (distance) P-C4' energy: -28.243
flat angles C4'-P-C4' energy: -32.901
flat angles P-C4'-P energy: -23.008
tors. eta vs tors. theta energy: -47.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -492.539811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.539811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.539811 (E_RNA)
where:
Base-Base interactions energy: -354.065
where: short stacking energy: -135.606
Base-Backbone interact. energy: -0.218
local terms energy: -148.256022
where:
bonds (distance) C4'-P energy: -27.994
bonds (distance) P-C4' energy: -25.312
flat angles C4'-P-C4' energy: -32.030
flat angles P-C4'-P energy: -23.054
tors. eta vs tors. theta energy: -39.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -478.139841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.139841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.139841 (E_RNA)
where:
Base-Base interactions energy: -345.598
where: short stacking energy: -147.088
Base-Backbone interact. energy: -0.284
local terms energy: -142.258429
where:
bonds (distance) C4'-P energy: -27.372
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -32.577
flat angles P-C4'-P energy: -16.775
tors. eta vs tors. theta energy: -44.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -466.714856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.714856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.714856 (E_RNA)
where:
Base-Base interactions energy: -328.315
where: short stacking energy: -130.745
Base-Backbone interact. energy: -0.401
local terms energy: -147.998910
where:
bonds (distance) C4'-P energy: -25.315
bonds (distance) P-C4' energy: -32.247
flat angles C4'-P-C4' energy: -26.624
flat angles P-C4'-P energy: -20.594
tors. eta vs tors. theta energy: -43.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -473.806771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.806771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.806771 (E_RNA)
where:
Base-Base interactions energy: -341.763
where: short stacking energy: -148.523
Base-Backbone interact. energy: -0.005
local terms energy: -142.038754
where:
bonds (distance) C4'-P energy: -19.377
bonds (distance) P-C4' energy: -26.755
flat angles C4'-P-C4' energy: -30.394
flat angles P-C4'-P energy: -20.137
tors. eta vs tors. theta energy: -45.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -439.873310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.873310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.873310 (E_RNA)
where:
Base-Base interactions energy: -312.095
where: short stacking energy: -126.469
Base-Backbone interact. energy: 0.053
local terms energy: -137.831212
where:
bonds (distance) C4'-P energy: -25.566
bonds (distance) P-C4' energy: -29.262
flat angles C4'-P-C4' energy: -29.016
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: -35.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -445.406513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.406513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.406513 (E_RNA)
where:
Base-Base interactions energy: -320.937
where: short stacking energy: -133.734
Base-Backbone interact. energy: -0.583
local terms energy: -133.886543
where:
bonds (distance) C4'-P energy: -28.054
bonds (distance) P-C4' energy: -21.962
flat angles C4'-P-C4' energy: -29.214
flat angles P-C4'-P energy: -18.914
tors. eta vs tors. theta energy: -35.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -350.352907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.352907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.352907 (E_RNA)
where:
Base-Base interactions energy: -255.486
where: short stacking energy: -110.378
Base-Backbone interact. energy: -0.113
local terms energy: -104.754334
where:
bonds (distance) C4'-P energy: -24.345
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -22.982
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -27.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -401.497982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.497982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.497982 (E_RNA)
where:
Base-Base interactions energy: -294.937
where: short stacking energy: -118.978
Base-Backbone interact. energy: 0.198
local terms energy: -116.759334
where:
bonds (distance) C4'-P energy: -22.213
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -25.736
flat angles P-C4'-P energy: -17.279
tors. eta vs tors. theta energy: -33.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -503.043325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.043325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.043325 (E_RNA)
where:
Base-Base interactions energy: -356.644
where: short stacking energy: -153.048
Base-Backbone interact. energy: -0.006
local terms energy: -156.393013
where:
bonds (distance) C4'-P energy: -27.611
bonds (distance) P-C4' energy: -30.932
flat angles C4'-P-C4' energy: -29.176
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -47.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -482.729507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.729507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.729507 (E_RNA)
where:
Base-Base interactions energy: -346.594
where: short stacking energy: -135.674
Base-Backbone interact. energy: 0.427
local terms energy: -146.561983
where:
bonds (distance) C4'-P energy: -25.802
bonds (distance) P-C4' energy: -27.546
flat angles C4'-P-C4' energy: -32.029
flat angles P-C4'-P energy: -17.897
tors. eta vs tors. theta energy: -43.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -490.369048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.369048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.369048 (E_RNA)
where:
Base-Base interactions energy: -348.608
where: short stacking energy: -147.769
Base-Backbone interact. energy: -0.004
local terms energy: -151.756990
where:
bonds (distance) C4'-P energy: -25.878
bonds (distance) P-C4' energy: -27.019
flat angles C4'-P-C4' energy: -33.628
flat angles P-C4'-P energy: -24.150
tors. eta vs tors. theta energy: -41.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -472.963469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.963469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.963469 (E_RNA)
where:
Base-Base interactions energy: -335.887
where: short stacking energy: -137.235
Base-Backbone interact. energy: -0.824
local terms energy: -146.252337
where:
bonds (distance) C4'-P energy: -25.902
bonds (distance) P-C4' energy: -26.624
flat angles C4'-P-C4' energy: -29.914
flat angles P-C4'-P energy: -22.073
tors. eta vs tors. theta energy: -41.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -466.672619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.672619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.672619 (E_RNA)
where:
Base-Base interactions energy: -333.095
where: short stacking energy: -145.157
Base-Backbone interact. energy: -0.005
local terms energy: -143.572510
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -24.994
flat angles C4'-P-C4' energy: -31.751
flat angles P-C4'-P energy: -21.139
tors. eta vs tors. theta energy: -43.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -453.572999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.572999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.572999 (E_RNA)
where:
Base-Base interactions energy: -327.313
where: short stacking energy: -131.996
Base-Backbone interact. energy: -0.203
local terms energy: -136.056870
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -21.632
flat angles C4'-P-C4' energy: -29.338
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -41.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -449.556930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.556930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.556930 (E_RNA)
where:
Base-Base interactions energy: -323.072
where: short stacking energy: -134.596
Base-Backbone interact. energy: -0.434
local terms energy: -136.051113
where:
bonds (distance) C4'-P energy: -22.911
bonds (distance) P-C4' energy: -26.803
flat angles C4'-P-C4' energy: -24.909
flat angles P-C4'-P energy: -18.949
tors. eta vs tors. theta energy: -42.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -444.834312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.834312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.834312 (E_RNA)
where:
Base-Base interactions energy: -328.722
where: short stacking energy: -128.822
Base-Backbone interact. energy: -0.072
local terms energy: -126.040538
where:
bonds (distance) C4'-P energy: -18.073
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -26.556
flat angles P-C4'-P energy: -22.451
tors. eta vs tors. theta energy: -37.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -393.190659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.190659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.190659 (E_RNA)
where:
Base-Base interactions energy: -286.760
where: short stacking energy: -117.439
Base-Backbone interact. energy: -0.507
local terms energy: -115.923286
where:
bonds (distance) C4'-P energy: -26.779
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -21.616
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: -33.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -423.610429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.610429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.610429 (E_RNA)
where:
Base-Base interactions energy: -314.996
where: short stacking energy: -132.750
Base-Backbone interact. energy: -0.731
local terms energy: -117.883250
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -24.811
flat angles P-C4'-P energy: -18.730
tors. eta vs tors. theta energy: -40.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -500.698364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.698364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.698364 (E_RNA)
where:
Base-Base interactions energy: -357.879
where: short stacking energy: -151.151
Base-Backbone interact. energy: -0.761
local terms energy: -152.058585
where:
bonds (distance) C4'-P energy: -22.975
bonds (distance) P-C4' energy: -29.748
flat angles C4'-P-C4' energy: -31.250
flat angles P-C4'-P energy: -23.126
tors. eta vs tors. theta energy: -44.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -489.772357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.772357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.772357 (E_RNA)
where:
Base-Base interactions energy: -359.918
where: short stacking energy: -149.030
Base-Backbone interact. energy: -0.560
local terms energy: -139.293977
where:
bonds (distance) C4'-P energy: -20.979
bonds (distance) P-C4' energy: -26.684
flat angles C4'-P-C4' energy: -30.375
flat angles P-C4'-P energy: -19.751
tors. eta vs tors. theta energy: -41.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -485.394716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.394716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.394716 (E_RNA)
where:
Base-Base interactions energy: -346.653
where: short stacking energy: -146.676
Base-Backbone interact. energy: -0.881
local terms energy: -147.860614
where:
bonds (distance) C4'-P energy: -28.871
bonds (distance) P-C4' energy: -23.733
flat angles C4'-P-C4' energy: -32.589
flat angles P-C4'-P energy: -17.216
tors. eta vs tors. theta energy: -45.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -472.622690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.622690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.622690 (E_RNA)
where:
Base-Base interactions energy: -333.977
where: short stacking energy: -141.676
Base-Backbone interact. energy: -0.264
local terms energy: -148.381749
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -27.204
flat angles C4'-P-C4' energy: -31.966
flat angles P-C4'-P energy: -24.014
tors. eta vs tors. theta energy: -44.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -470.391295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.391295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.391295 (E_RNA)
where:
Base-Base interactions energy: -338.927
where: short stacking energy: -138.088
Base-Backbone interact. energy: -0.390
local terms energy: -141.074926
where:
bonds (distance) C4'-P energy: -22.677
bonds (distance) P-C4' energy: -24.223
flat angles C4'-P-C4' energy: -28.684
flat angles P-C4'-P energy: -22.792
tors. eta vs tors. theta energy: -42.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -460.032612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.032612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.032612 (E_RNA)
where:
Base-Base interactions energy: -329.649
where: short stacking energy: -139.606
Base-Backbone interact. energy: -0.046
local terms energy: -140.337730
where:
bonds (distance) C4'-P energy: -25.170
bonds (distance) P-C4' energy: -28.258
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -20.942
tors. eta vs tors. theta energy: -42.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -444.000522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.000522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.000522 (E_RNA)
where:
Base-Base interactions energy: -316.850
where: short stacking energy: -129.396
Base-Backbone interact. energy: -0.253
local terms energy: -136.896970
where:
bonds (distance) C4'-P energy: -25.472
bonds (distance) P-C4' energy: -25.985
flat angles C4'-P-C4' energy: -24.424
flat angles P-C4'-P energy: -18.151
tors. eta vs tors. theta energy: -42.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -442.150466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.150466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.150466 (E_RNA)
where:
Base-Base interactions energy: -314.840
where: short stacking energy: -133.705
Base-Backbone interact. energy: -0.809
local terms energy: -136.501632
where:
bonds (distance) C4'-P energy: -28.324
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -28.086
flat angles P-C4'-P energy: -21.718
tors. eta vs tors. theta energy: -40.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -436.187557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.187557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.187557 (E_RNA)
where:
Base-Base interactions energy: -308.438
where: short stacking energy: -134.653
Base-Backbone interact. energy: -0.181
local terms energy: -137.568948
where:
bonds (distance) C4'-P energy: -24.331
bonds (distance) P-C4' energy: -22.287
flat angles C4'-P-C4' energy: -31.005
flat angles P-C4'-P energy: -19.403
tors. eta vs tors. theta energy: -40.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -430.115130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.115130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.115130 (E_RNA)
where:
Base-Base interactions energy: -313.875
where: short stacking energy: -123.442
Base-Backbone interact. energy: -0.276
local terms energy: -125.965039
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -26.113
flat angles C4'-P-C4' energy: -26.523
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -36.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -495.287095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.287095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.287095 (E_RNA)
where:
Base-Base interactions energy: -349.581
where: short stacking energy: -149.596
Base-Backbone interact. energy: -0.301
local terms energy: -155.404768
where:
bonds (distance) C4'-P energy: -30.648
bonds (distance) P-C4' energy: -24.455
flat angles C4'-P-C4' energy: -32.916
flat angles P-C4'-P energy: -20.659
tors. eta vs tors. theta energy: -46.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -488.465272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.465272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.465272 (E_RNA)
where:
Base-Base interactions energy: -342.452
where: short stacking energy: -138.151
Base-Backbone interact. energy: -0.049
local terms energy: -155.964629
where:
bonds (distance) C4'-P energy: -29.910
bonds (distance) P-C4' energy: -26.626
flat angles C4'-P-C4' energy: -30.533
flat angles P-C4'-P energy: -25.205
tors. eta vs tors. theta energy: -43.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -465.172203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.172203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.172203 (E_RNA)
where:
Base-Base interactions energy: -332.986
where: short stacking energy: -133.894
Base-Backbone interact. energy: -0.110
local terms energy: -142.075987
where:
bonds (distance) C4'-P energy: -21.098
bonds (distance) P-C4' energy: -30.161
flat angles C4'-P-C4' energy: -28.411
flat angles P-C4'-P energy: -20.440
tors. eta vs tors. theta energy: -41.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -473.688140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.688140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.688140 (E_RNA)
where:
Base-Base interactions energy: -343.368
where: short stacking energy: -149.363
Base-Backbone interact. energy: 0.276
local terms energy: -140.595952
where:
bonds (distance) C4'-P energy: -23.925
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -31.170
flat angles P-C4'-P energy: -20.023
tors. eta vs tors. theta energy: -43.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -458.698115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.698115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.698115 (E_RNA)
where:
Base-Base interactions energy: -318.607
where: short stacking energy: -133.501
Base-Backbone interact. energy: -1.020
local terms energy: -149.071705
where:
bonds (distance) C4'-P energy: -22.538
bonds (distance) P-C4' energy: -30.538
flat angles C4'-P-C4' energy: -27.536
flat angles P-C4'-P energy: -25.119
tors. eta vs tors. theta energy: -43.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -454.435350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.435350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.435350 (E_RNA)
where:
Base-Base interactions energy: -323.797
where: short stacking energy: -137.367
Base-Backbone interact. energy: 0.805
local terms energy: -141.443849
where:
bonds (distance) C4'-P energy: -28.783
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -29.578
flat angles P-C4'-P energy: -20.844
tors. eta vs tors. theta energy: -45.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -438.417546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.417546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.417546 (E_RNA)
where:
Base-Base interactions energy: -320.750
where: short stacking energy: -124.437
Base-Backbone interact. energy: -0.566
local terms energy: -127.101366
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -25.784
flat angles C4'-P-C4' energy: -27.865
flat angles P-C4'-P energy: -17.452
tors. eta vs tors. theta energy: -36.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -447.901698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.901698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.901698 (E_RNA)
where:
Base-Base interactions energy: -332.512
where: short stacking energy: -128.453
Base-Backbone interact. energy: 1.210
local terms energy: -126.600024
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -21.028
flat angles C4'-P-C4' energy: -27.319
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -40.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -397.781085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.781085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.781085 (E_RNA)
where:
Base-Base interactions energy: -291.303
where: short stacking energy: -122.642
Base-Backbone interact. energy: 0.387
local terms energy: -116.864987
where:
bonds (distance) C4'-P energy: -22.472
bonds (distance) P-C4' energy: -21.051
flat angles C4'-P-C4' energy: -23.220
flat angles P-C4'-P energy: -16.363
tors. eta vs tors. theta energy: -33.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -423.679886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.679886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.679886 (E_RNA)
where:
Base-Base interactions energy: -312.422
where: short stacking energy: -115.655
Base-Backbone interact. energy: -0.406
local terms energy: -120.851907
where:
bonds (distance) C4'-P energy: -25.360
bonds (distance) P-C4' energy: -22.327
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -19.268
tors. eta vs tors. theta energy: -39.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -491.028819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.028819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.028819 (E_RNA)
where:
Base-Base interactions energy: -346.303
where: short stacking energy: -136.745
Base-Backbone interact. energy: -0.221
local terms energy: -154.504527
where:
bonds (distance) C4'-P energy: -27.985
bonds (distance) P-C4' energy: -29.061
flat angles C4'-P-C4' energy: -31.373
flat angles P-C4'-P energy: -22.961
tors. eta vs tors. theta energy: -43.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -488.435812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.435812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.435812 (E_RNA)
where:
Base-Base interactions energy: -340.396
where: short stacking energy: -145.238
Base-Backbone interact. energy: -1.241
local terms energy: -156.799007
where:
bonds (distance) C4'-P energy: -28.046
bonds (distance) P-C4' energy: -28.159
flat angles C4'-P-C4' energy: -30.847
flat angles P-C4'-P energy: -22.349
tors. eta vs tors. theta energy: -47.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -480.546474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.546474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.546474 (E_RNA)
where:
Base-Base interactions energy: -337.743
where: short stacking energy: -143.088
Base-Backbone interact. energy: 0.518
local terms energy: -153.321465
where:
bonds (distance) C4'-P energy: -27.720
bonds (distance) P-C4' energy: -25.536
flat angles C4'-P-C4' energy: -31.562
flat angles P-C4'-P energy: -25.397
tors. eta vs tors. theta energy: -43.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -480.010417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.010417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.010417 (E_RNA)
where:
Base-Base interactions energy: -347.483
where: short stacking energy: -144.732
Base-Backbone interact. energy: -0.041
local terms energy: -142.486563
where:
bonds (distance) C4'-P energy: -22.464
bonds (distance) P-C4' energy: -27.030
flat angles C4'-P-C4' energy: -28.125
flat angles P-C4'-P energy: -19.396
tors. eta vs tors. theta energy: -45.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -468.180368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.180368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.180368 (E_RNA)
where:
Base-Base interactions energy: -336.705
where: short stacking energy: -141.133
Base-Backbone interact. energy: -0.003
local terms energy: -141.472142
where:
bonds (distance) C4'-P energy: -23.746
bonds (distance) P-C4' energy: -27.464
flat angles C4'-P-C4' energy: -28.152
flat angles P-C4'-P energy: -18.545
tors. eta vs tors. theta energy: -43.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -457.755596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.755596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.755596 (E_RNA)
where:
Base-Base interactions energy: -328.291
where: short stacking energy: -134.381
Base-Backbone interact. energy: -0.246
local terms energy: -139.218479
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -26.288
flat angles C4'-P-C4' energy: -32.409
flat angles P-C4'-P energy: -18.261
tors. eta vs tors. theta energy: -40.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -422.495919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.495919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.495919 (E_RNA)
where:
Base-Base interactions energy: -311.253
where: short stacking energy: -133.754
Base-Backbone interact. energy: -0.313
local terms energy: -120.930610
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -26.568
flat angles C4'-P-C4' energy: -22.929
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -43.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -446.794003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.794003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.794003 (E_RNA)
where:
Base-Base interactions energy: -319.695
where: short stacking energy: -131.600
Base-Backbone interact. energy: -0.003
local terms energy: -137.095772
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -27.123
flat angles C4'-P-C4' energy: -24.862
flat angles P-C4'-P energy: -16.884
tors. eta vs tors. theta energy: -43.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -435.435003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.435003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.435003 (E_RNA)
where:
Base-Base interactions energy: -310.618
where: short stacking energy: -123.971
Base-Backbone interact. energy: -0.241
local terms energy: -134.576370
where:
bonds (distance) C4'-P energy: -26.880
bonds (distance) P-C4' energy: -22.642
flat angles C4'-P-C4' energy: -27.072
flat angles P-C4'-P energy: -16.967
tors. eta vs tors. theta energy: -41.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -407.771433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.771433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.771433 (E_RNA)
where:
Base-Base interactions energy: -305.860
where: short stacking energy: -122.306
Base-Backbone interact. energy: -0.202
local terms energy: -111.708994
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -29.051
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -36.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -493.922074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.922074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.922074 (E_RNA)
where:
Base-Base interactions energy: -351.542
where: short stacking energy: -148.099
Base-Backbone interact. energy: -0.040
local terms energy: -152.339976
where:
bonds (distance) C4'-P energy: -26.994
bonds (distance) P-C4' energy: -29.866
flat angles C4'-P-C4' energy: -28.853
flat angles P-C4'-P energy: -21.876
tors. eta vs tors. theta energy: -44.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -484.155416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.155416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.155416 (E_RNA)
where:
Base-Base interactions energy: -342.072
where: short stacking energy: -147.388
Base-Backbone interact. energy: -0.709
local terms energy: -151.374663
where:
bonds (distance) C4'-P energy: -22.894
bonds (distance) P-C4' energy: -28.592
flat angles C4'-P-C4' energy: -32.656
flat angles P-C4'-P energy: -21.817
tors. eta vs tors. theta energy: -45.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -486.545534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.545534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.545534 (E_RNA)
where:
Base-Base interactions energy: -349.021
where: short stacking energy: -147.469
Base-Backbone interact. energy: -0.157
local terms energy: -147.367762
where:
bonds (distance) C4'-P energy: -24.296
bonds (distance) P-C4' energy: -25.800
flat angles C4'-P-C4' energy: -30.486
flat angles P-C4'-P energy: -21.655
tors. eta vs tors. theta energy: -45.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -475.981069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.981069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.981069 (E_RNA)
where:
Base-Base interactions energy: -334.867
where: short stacking energy: -134.888
Base-Backbone interact. energy: -0.012
local terms energy: -151.102163
where:
bonds (distance) C4'-P energy: -23.246
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -32.732
flat angles P-C4'-P energy: -21.132
tors. eta vs tors. theta energy: -43.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -468.645590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.645590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.645590 (E_RNA)
where:
Base-Base interactions energy: -338.824
where: short stacking energy: -142.402
Base-Backbone interact. energy: -0.049
local terms energy: -139.772413
where:
bonds (distance) C4'-P energy: -22.272
bonds (distance) P-C4' energy: -26.123
flat angles C4'-P-C4' energy: -28.031
flat angles P-C4'-P energy: -17.984
tors. eta vs tors. theta energy: -45.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -457.230949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.230949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.230949 (E_RNA)
where:
Base-Base interactions energy: -328.461
where: short stacking energy: -137.201
Base-Backbone interact. energy: -0.002
local terms energy: -138.767827
where:
bonds (distance) C4'-P energy: -21.009
bonds (distance) P-C4' energy: -26.628
flat angles C4'-P-C4' energy: -29.693
flat angles P-C4'-P energy: -19.747
tors. eta vs tors. theta energy: -41.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -434.881155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.881155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.881155 (E_RNA)
where:
Base-Base interactions energy: -307.076
where: short stacking energy: -137.248
Base-Backbone interact. energy: -1.412
local terms energy: -136.392851
where:
bonds (distance) C4'-P energy: -23.085
bonds (distance) P-C4' energy: -27.230
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -20.081
tors. eta vs tors. theta energy: -40.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -412.417741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.417741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.417741 (E_RNA)
where:
Base-Base interactions energy: -285.991
where: short stacking energy: -125.032
Base-Backbone interact. energy: -0.190
local terms energy: -136.237019
where:
bonds (distance) C4'-P energy: -27.482
bonds (distance) P-C4' energy: -28.423
flat angles C4'-P-C4' energy: -30.121
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -37.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -434.580300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.580300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.580300 (E_RNA)
where:
Base-Base interactions energy: -315.654
where: short stacking energy: -130.960
Base-Backbone interact. energy: -0.598
local terms energy: -128.328508
where:
bonds (distance) C4'-P energy: -24.582
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -26.741
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -40.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -405.679744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.679744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.679744 (E_RNA)
where:
Base-Base interactions energy: -299.633
where: short stacking energy: -122.226
Base-Backbone interact. energy: -0.042
local terms energy: -116.004891
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -21.689
flat angles C4'-P-C4' energy: -25.849
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -37.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -499.161339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.161339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.161339 (E_RNA)
where:
Base-Base interactions energy: -348.664
where: short stacking energy: -152.807
Base-Backbone interact. energy: -0.089
local terms energy: -160.407911
where:
bonds (distance) C4'-P energy: -30.994
bonds (distance) P-C4' energy: -28.123
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -22.933
tors. eta vs tors. theta energy: -46.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -487.325049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.325049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.325049 (E_RNA)
where:
Base-Base interactions energy: -347.238
where: short stacking energy: -148.607
Base-Backbone interact. energy: -0.007
local terms energy: -150.080857
where:
bonds (distance) C4'-P energy: -25.024
bonds (distance) P-C4' energy: -29.813
flat angles C4'-P-C4' energy: -26.478
flat angles P-C4'-P energy: -20.479
tors. eta vs tors. theta energy: -48.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -479.119496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.119496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.119496 (E_RNA)
where:
Base-Base interactions energy: -342.834
where: short stacking energy: -149.076
Base-Backbone interact. energy: -0.640
local terms energy: -145.645287
where:
bonds (distance) C4'-P energy: -24.099
bonds (distance) P-C4' energy: -26.023
flat angles C4'-P-C4' energy: -30.796
flat angles P-C4'-P energy: -19.298
tors. eta vs tors. theta energy: -45.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -479.000491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.000491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.000491 (E_RNA)
where:
Base-Base interactions energy: -338.875
where: short stacking energy: -147.362
Base-Backbone interact. energy: -0.040
local terms energy: -150.085089
where:
bonds (distance) C4'-P energy: -23.899
bonds (distance) P-C4' energy: -30.398
flat angles C4'-P-C4' energy: -29.330
flat angles P-C4'-P energy: -22.440
tors. eta vs tors. theta energy: -44.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -466.914354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.914354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.914354 (E_RNA)
where:
Base-Base interactions energy: -337.291
where: short stacking energy: -138.643
Base-Backbone interact. energy: -0.027
local terms energy: -139.597220
where:
bonds (distance) C4'-P energy: -22.117
bonds (distance) P-C4' energy: -27.291
flat angles C4'-P-C4' energy: -29.004
flat angles P-C4'-P energy: -21.266
tors. eta vs tors. theta energy: -39.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -436.324230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.324230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.324230 (E_RNA)
where:
Base-Base interactions energy: -316.000
where: short stacking energy: -136.098
Base-Backbone interact. energy: -0.644
local terms energy: -129.679786
where:
bonds (distance) C4'-P energy: -22.058
bonds (distance) P-C4' energy: -25.194
flat angles C4'-P-C4' energy: -24.877
flat angles P-C4'-P energy: -18.386
tors. eta vs tors. theta energy: -39.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -449.479055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.479055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.479055 (E_RNA)
where:
Base-Base interactions energy: -320.748
where: short stacking energy: -137.859
Base-Backbone interact. energy: -0.013
local terms energy: -138.718741
where:
bonds (distance) C4'-P energy: -23.499
bonds (distance) P-C4' energy: -24.900
flat angles C4'-P-C4' energy: -29.563
flat angles P-C4'-P energy: -18.474
tors. eta vs tors. theta energy: -42.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -439.648530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.648530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.648530 (E_RNA)
where:
Base-Base interactions energy: -305.971
where: short stacking energy: -127.241
Base-Backbone interact. energy: -0.407
local terms energy: -143.270185
where:
bonds (distance) C4'-P energy: -25.650
bonds (distance) P-C4' energy: -30.196
flat angles C4'-P-C4' energy: -28.463
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -41.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -424.308974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.308974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.308974 (E_RNA)
where:
Base-Base interactions energy: -306.506
where: short stacking energy: -131.773
Base-Backbone interact. energy: -0.103
local terms energy: -127.699618
where:
bonds (distance) C4'-P energy: -21.020
bonds (distance) P-C4' energy: -22.112
flat angles C4'-P-C4' energy: -28.012
flat angles P-C4'-P energy: -19.868
tors. eta vs tors. theta energy: -36.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -416.212112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.212112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.212112 (E_RNA)
where:
Base-Base interactions energy: -315.264
where: short stacking energy: -129.560
Base-Backbone interact. energy: -0.053
local terms energy: -110.895564
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -13.840
flat angles C4'-P-C4' energy: -20.176
flat angles P-C4'-P energy: -18.049
tors. eta vs tors. theta energy: -40.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -502.106259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.106259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.106259 (E_RNA)
where:
Base-Base interactions energy: -360.081
where: short stacking energy: -155.178
Base-Backbone interact. energy: -0.582
local terms energy: -151.443773
where:
bonds (distance) C4'-P energy: -26.454
bonds (distance) P-C4' energy: -29.375
flat angles C4'-P-C4' energy: -34.426
flat angles P-C4'-P energy: -18.164
tors. eta vs tors. theta energy: -43.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -483.002887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.002887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.002887 (E_RNA)
where:
Base-Base interactions energy: -338.213
where: short stacking energy: -147.275
Base-Backbone interact. energy: -0.085
local terms energy: -154.705146
where:
bonds (distance) C4'-P energy: -30.535
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -34.279
flat angles P-C4'-P energy: -21.724
tors. eta vs tors. theta energy: -46.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -476.777477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.777477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.777477 (E_RNA)
where:
Base-Base interactions energy: -342.429
where: short stacking energy: -138.898
Base-Backbone interact. energy: 0.052
local terms energy: -144.400228
where:
bonds (distance) C4'-P energy: -24.481
bonds (distance) P-C4' energy: -26.936
flat angles C4'-P-C4' energy: -24.112
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: -45.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -467.953200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.953200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.953200 (E_RNA)
where:
Base-Base interactions energy: -333.070
where: short stacking energy: -131.930
Base-Backbone interact. energy: -0.084
local terms energy: -144.799526
where:
bonds (distance) C4'-P energy: -29.205
bonds (distance) P-C4' energy: -29.787
flat angles C4'-P-C4' energy: -28.083
flat angles P-C4'-P energy: -17.205
tors. eta vs tors. theta energy: -40.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -478.526178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.526178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.526178 (E_RNA)
where:
Base-Base interactions energy: -343.418
where: short stacking energy: -146.067
Base-Backbone interact. energy: -0.362
local terms energy: -144.746473
where:
bonds (distance) C4'-P energy: -27.245
bonds (distance) P-C4' energy: -27.151
flat angles C4'-P-C4' energy: -27.892
flat angles P-C4'-P energy: -19.005
tors. eta vs tors. theta energy: -43.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -446.833147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.833147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.833147 (E_RNA)
where:
Base-Base interactions energy: -318.362
where: short stacking energy: -132.019
Base-Backbone interact. energy: -0.874
local terms energy: -137.596804
where:
bonds (distance) C4'-P energy: -21.054
bonds (distance) P-C4' energy: -29.440
flat angles C4'-P-C4' energy: -28.934
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -39.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -428.104881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.104881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.104881 (E_RNA)
where:
Base-Base interactions energy: -314.516
where: short stacking energy: -120.982
Base-Backbone interact. energy: -0.499
local terms energy: -123.090013
where:
bonds (distance) C4'-P energy: -20.064
bonds (distance) P-C4' energy: -26.028
flat angles C4'-P-C4' energy: -23.421
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -38.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -429.891914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.891914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.891914 (E_RNA)
where:
Base-Base interactions energy: -311.753
where: short stacking energy: -124.560
Base-Backbone interact. energy: -0.026
local terms energy: -128.112483
where:
bonds (distance) C4'-P energy: -25.343
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -25.934
flat angles P-C4'-P energy: -16.809
tors. eta vs tors. theta energy: -39.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -433.553753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.553753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.553753 (E_RNA)
where:
Base-Base interactions energy: -315.457
where: short stacking energy: -129.576
Base-Backbone interact. energy: -0.822
local terms energy: -127.274950
where:
bonds (distance) C4'-P energy: -23.388
bonds (distance) P-C4' energy: -23.158
flat angles C4'-P-C4' energy: -27.860
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -38.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -330.197735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.197735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.197735 (E_RNA)
where:
Base-Base interactions energy: -232.011
where: short stacking energy: -96.532
Base-Backbone interact. energy: 1.668
local terms energy: -109.854953
where:
bonds (distance) C4'-P energy: -21.796
bonds (distance) P-C4' energy: -25.212
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -17.314
tors. eta vs tors. theta energy: -23.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -495.711380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.711380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.711380 (E_RNA)
where:
Base-Base interactions energy: -348.970
where: short stacking energy: -143.545
Base-Backbone interact. energy: -0.045
local terms energy: -156.696519
where:
bonds (distance) C4'-P energy: -26.164
bonds (distance) P-C4' energy: -28.169
flat angles C4'-P-C4' energy: -32.352
flat angles P-C4'-P energy: -27.955
tors. eta vs tors. theta energy: -42.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -481.529155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.529155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.529155 (E_RNA)
where:
Base-Base interactions energy: -343.722
where: short stacking energy: -144.491
Base-Backbone interact. energy: -0.016
local terms energy: -147.791358
where:
bonds (distance) C4'-P energy: -27.645
bonds (distance) P-C4' energy: -27.831
flat angles C4'-P-C4' energy: -28.309
flat angles P-C4'-P energy: -20.320
tors. eta vs tors. theta energy: -43.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -479.350964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.350964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.350964 (E_RNA)
where:
Base-Base interactions energy: -346.240
where: short stacking energy: -146.580
Base-Backbone interact. energy: -0.672
local terms energy: -142.438535
where:
bonds (distance) C4'-P energy: -25.212
bonds (distance) P-C4' energy: -23.547
flat angles C4'-P-C4' energy: -28.903
flat angles P-C4'-P energy: -22.312
tors. eta vs tors. theta energy: -42.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -473.828627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.828627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.828627 (E_RNA)
where:
Base-Base interactions energy: -338.342
where: short stacking energy: -141.869
Base-Backbone interact. energy: -0.876
local terms energy: -144.610194
where:
bonds (distance) C4'-P energy: -24.787
bonds (distance) P-C4' energy: -25.910
flat angles C4'-P-C4' energy: -29.113
flat angles P-C4'-P energy: -19.235
tors. eta vs tors. theta energy: -45.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -461.248887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.248887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.248887 (E_RNA)
where:
Base-Base interactions energy: -324.079
where: short stacking energy: -141.497
Base-Backbone interact. energy: -0.256
local terms energy: -146.913493
where:
bonds (distance) C4'-P energy: -20.260
bonds (distance) P-C4' energy: -28.936
flat angles C4'-P-C4' energy: -32.354
flat angles P-C4'-P energy: -21.353
tors. eta vs tors. theta energy: -44.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -449.809415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.809415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.809415 (E_RNA)
where:
Base-Base interactions energy: -314.318
where: short stacking energy: -129.890
Base-Backbone interact. energy: -0.031
local terms energy: -145.460276
where:
bonds (distance) C4'-P energy: -24.337
bonds (distance) P-C4' energy: -29.196
flat angles C4'-P-C4' energy: -29.191
flat angles P-C4'-P energy: -21.332
tors. eta vs tors. theta energy: -41.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -443.388143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.388143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.388143 (E_RNA)
where:
Base-Base interactions energy: -317.018
where: short stacking energy: -126.528
Base-Backbone interact. energy: -0.508
local terms energy: -135.861894
where:
bonds (distance) C4'-P energy: -23.614
bonds (distance) P-C4' energy: -27.754
flat angles C4'-P-C4' energy: -26.850
flat angles P-C4'-P energy: -14.997
tors. eta vs tors. theta energy: -42.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -416.119482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.119482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.119482 (E_RNA)
where:
Base-Base interactions energy: -298.514
where: short stacking energy: -119.568
Base-Backbone interact. energy: -0.154
local terms energy: -127.451791
where:
bonds (distance) C4'-P energy: -27.475
bonds (distance) P-C4' energy: -25.013
flat angles C4'-P-C4' energy: -24.368
flat angles P-C4'-P energy: -14.998
tors. eta vs tors. theta energy: -35.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -424.382698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.382698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.382698 (E_RNA)
where:
Base-Base interactions energy: -299.277
where: short stacking energy: -116.531
Base-Backbone interact. energy: -0.664
local terms energy: -134.441793
where:
bonds (distance) C4'-P energy: -25.596
bonds (distance) P-C4' energy: -26.178
flat angles C4'-P-C4' energy: -26.097
flat angles P-C4'-P energy: -18.151
tors. eta vs tors. theta energy: -38.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -319.416772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.416772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.416772 (E_RNA)
where:
Base-Base interactions energy: -243.665
where: short stacking energy: -93.384
Base-Backbone interact. energy: -0.987
local terms energy: -84.764772
where:
bonds (distance) C4'-P energy: -9.447
bonds (distance) P-C4' energy: -20.224
flat angles C4'-P-C4' energy: -20.158
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -490.193265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.193265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.193265 (E_RNA)
where:
Base-Base interactions energy: -344.064
where: short stacking energy: -149.112
Base-Backbone interact. energy: -0.049
local terms energy: -156.079899
where:
bonds (distance) C4'-P energy: -28.994
bonds (distance) P-C4' energy: -27.330
flat angles C4'-P-C4' energy: -29.944
flat angles P-C4'-P energy: -24.304
tors. eta vs tors. theta energy: -45.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -491.679289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.679289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.679289 (E_RNA)
where:
Base-Base interactions energy: -345.074
where: short stacking energy: -146.918
Base-Backbone interact. energy: -0.332
local terms energy: -156.274022
where:
bonds (distance) C4'-P energy: -30.740
bonds (distance) P-C4' energy: -27.034
flat angles C4'-P-C4' energy: -30.730
flat angles P-C4'-P energy: -24.423
tors. eta vs tors. theta energy: -43.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -492.989691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.989691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.989691 (E_RNA)
where:
Base-Base interactions energy: -354.372
where: short stacking energy: -153.717
Base-Backbone interact. energy: -0.043
local terms energy: -148.573910
where:
bonds (distance) C4'-P energy: -27.736
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -29.625
flat angles P-C4'-P energy: -21.415
tors. eta vs tors. theta energy: -45.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -468.280550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.280550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.280550 (E_RNA)
where:
Base-Base interactions energy: -336.152
where: short stacking energy: -138.579
Base-Backbone interact. energy: 0.107
local terms energy: -142.235630
where:
bonds (distance) C4'-P energy: -23.431
bonds (distance) P-C4' energy: -24.187
flat angles C4'-P-C4' energy: -29.222
flat angles P-C4'-P energy: -24.764
tors. eta vs tors. theta energy: -40.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -476.946889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.946889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.946889 (E_RNA)
where:
Base-Base interactions energy: -336.029
where: short stacking energy: -140.467
Base-Backbone interact. energy: -0.011
local terms energy: -150.906044
where:
bonds (distance) C4'-P energy: -28.414
bonds (distance) P-C4' energy: -30.847
flat angles C4'-P-C4' energy: -29.904
flat angles P-C4'-P energy: -20.511
tors. eta vs tors. theta energy: -41.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -450.376358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.376358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.376358 (E_RNA)
where:
Base-Base interactions energy: -317.526
where: short stacking energy: -132.738
Base-Backbone interact. energy: -0.007
local terms energy: -142.843256
where:
bonds (distance) C4'-P energy: -26.622
bonds (distance) P-C4' energy: -26.032
flat angles C4'-P-C4' energy: -28.471
flat angles P-C4'-P energy: -22.154
tors. eta vs tors. theta energy: -39.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -450.125271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.125271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.125271 (E_RNA)
where:
Base-Base interactions energy: -316.803
where: short stacking energy: -133.897
Base-Backbone interact. energy: -0.188
local terms energy: -143.134075
where:
bonds (distance) C4'-P energy: -25.553
bonds (distance) P-C4' energy: -25.048
flat angles C4'-P-C4' energy: -31.760
flat angles P-C4'-P energy: -20.075
tors. eta vs tors. theta energy: -40.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -451.483331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.483331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.483331 (E_RNA)
where:
Base-Base interactions energy: -319.421
where: short stacking energy: -132.950
Base-Backbone interact. energy: -0.330
local terms energy: -141.731828
where:
bonds (distance) C4'-P energy: -23.938
bonds (distance) P-C4' energy: -23.201
flat angles C4'-P-C4' energy: -27.959
flat angles P-C4'-P energy: -23.593
tors. eta vs tors. theta energy: -43.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -438.614826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.614826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.614826 (E_RNA)
where:
Base-Base interactions energy: -311.276
where: short stacking energy: -127.319
Base-Backbone interact. energy: -0.103
local terms energy: -137.235347
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -27.949
flat angles C4'-P-C4' energy: -26.469
flat angles P-C4'-P energy: -19.602
tors. eta vs tors. theta energy: -38.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -206.044318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.044318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.044318 (E_RNA)
where:
Base-Base interactions energy: -141.444
where: short stacking energy: -61.255
Base-Backbone interact. energy: -0.119
local terms energy: -74.481235
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -26.703
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: 1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -493.022101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.022101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.022101 (E_RNA)
where:
Base-Base interactions energy: -356.506
where: short stacking energy: -139.159
Base-Backbone interact. energy: -0.029
local terms energy: -146.487273
where:
bonds (distance) C4'-P energy: -29.528
bonds (distance) P-C4' energy: -26.895
flat angles C4'-P-C4' energy: -27.361
flat angles P-C4'-P energy: -21.094
tors. eta vs tors. theta energy: -41.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -490.682720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.682720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.682720 (E_RNA)
where:
Base-Base interactions energy: -350.910
where: short stacking energy: -149.738
Base-Backbone interact. energy: -0.341
local terms energy: -149.431390
where:
bonds (distance) C4'-P energy: -23.468
bonds (distance) P-C4' energy: -32.280
flat angles C4'-P-C4' energy: -27.437
flat angles P-C4'-P energy: -21.833
tors. eta vs tors. theta energy: -44.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -480.807421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.807421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.807421 (E_RNA)
where:
Base-Base interactions energy: -337.091
where: short stacking energy: -142.459
Base-Backbone interact. energy: -0.003
local terms energy: -153.713427
where:
bonds (distance) C4'-P energy: -27.494
bonds (distance) P-C4' energy: -27.532
flat angles C4'-P-C4' energy: -31.807
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -45.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -478.202519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.202519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.202519 (E_RNA)
where:
Base-Base interactions energy: -343.930
where: short stacking energy: -141.200
Base-Backbone interact. energy: 0.156
local terms energy: -144.428122
where:
bonds (distance) C4'-P energy: -26.056
bonds (distance) P-C4' energy: -24.258
flat angles C4'-P-C4' energy: -27.450
flat angles P-C4'-P energy: -22.227
tors. eta vs tors. theta energy: -44.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -475.647117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.647117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.647117 (E_RNA)
where:
Base-Base interactions energy: -341.711
where: short stacking energy: -147.715
Base-Backbone interact. energy: -0.012
local terms energy: -143.923291
where:
bonds (distance) C4'-P energy: -24.483
bonds (distance) P-C4' energy: -27.331
flat angles C4'-P-C4' energy: -24.558
flat angles P-C4'-P energy: -22.564
tors. eta vs tors. theta energy: -44.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -445.271191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.271191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.271191 (E_RNA)
where:
Base-Base interactions energy: -323.884
where: short stacking energy: -133.482
Base-Backbone interact. energy: -0.182
local terms energy: -131.204966
where:
bonds (distance) C4'-P energy: -22.246
bonds (distance) P-C4' energy: -18.528
flat angles C4'-P-C4' energy: -31.628
flat angles P-C4'-P energy: -16.811
tors. eta vs tors. theta energy: -41.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -446.115396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.115396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.115396 (E_RNA)
where:
Base-Base interactions energy: -321.029
where: short stacking energy: -133.466
Base-Backbone interact. energy: -0.456
local terms energy: -134.630722
where:
bonds (distance) C4'-P energy: -23.040
bonds (distance) P-C4' energy: -23.746
flat angles C4'-P-C4' energy: -29.747
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -41.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -429.626865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.626865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.626865 (E_RNA)
where:
Base-Base interactions energy: -312.357
where: short stacking energy: -134.257
Base-Backbone interact. energy: -0.267
local terms energy: -127.002736
where:
bonds (distance) C4'-P energy: -22.200
bonds (distance) P-C4' energy: -26.550
flat angles C4'-P-C4' energy: -24.077
flat angles P-C4'-P energy: -12.720
tors. eta vs tors. theta energy: -41.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -397.535299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.535299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.535299 (E_RNA)
where:
Base-Base interactions energy: -289.681
where: short stacking energy: -114.476
Base-Backbone interact. energy: -0.799
local terms energy: -117.055824
where:
bonds (distance) C4'-P energy: -23.635
bonds (distance) P-C4' energy: -11.184
flat angles C4'-P-C4' energy: -32.902
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -34.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -207.612275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.612275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.612275 (E_RNA)
where:
Base-Base interactions energy: -127.384
where: short stacking energy: -57.196
Base-Backbone interact. energy: -0.641
local terms energy: -89.586883
where:
bonds (distance) C4'-P energy: -23.264
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -22.823
flat angles P-C4'-P energy: -15.587
tors. eta vs tors. theta energy: -9.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -501.996270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.996270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.996270 (E_RNA)
where:
Base-Base interactions energy: -356.024
where: short stacking energy: -150.710
Base-Backbone interact. energy: -0.102
local terms energy: -155.869830
where:
bonds (distance) C4'-P energy: -23.901
bonds (distance) P-C4' energy: -28.537
flat angles C4'-P-C4' energy: -31.265
flat angles P-C4'-P energy: -24.515
tors. eta vs tors. theta energy: -47.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -483.791115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.791115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.791115 (E_RNA)
where:
Base-Base interactions energy: -341.796
where: short stacking energy: -147.065
Base-Backbone interact. energy: -0.085
local terms energy: -151.910117
where:
bonds (distance) C4'-P energy: -25.798
bonds (distance) P-C4' energy: -28.035
flat angles C4'-P-C4' energy: -28.281
flat angles P-C4'-P energy: -23.710
tors. eta vs tors. theta energy: -46.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -480.047861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.047861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.047861 (E_RNA)
where:
Base-Base interactions energy: -340.901
where: short stacking energy: -145.173
Base-Backbone interact. energy: 0.979
local terms energy: -150.125797
where:
bonds (distance) C4'-P energy: -26.831
bonds (distance) P-C4' energy: -25.848
flat angles C4'-P-C4' energy: -32.165
flat angles P-C4'-P energy: -22.650
tors. eta vs tors. theta energy: -42.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -469.783618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.783618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.783618 (E_RNA)
where:
Base-Base interactions energy: -335.880
where: short stacking energy: -142.126
Base-Backbone interact. energy: 1.123
local terms energy: -145.027270
where:
bonds (distance) C4'-P energy: -27.516
bonds (distance) P-C4' energy: -27.341
flat angles C4'-P-C4' energy: -31.739
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -36.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -463.040114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.040114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.040114 (E_RNA)
where:
Base-Base interactions energy: -331.544
where: short stacking energy: -140.880
Base-Backbone interact. energy: -0.219
local terms energy: -141.277332
where:
bonds (distance) C4'-P energy: -22.135
bonds (distance) P-C4' energy: -24.826
flat angles C4'-P-C4' energy: -32.402
flat angles P-C4'-P energy: -20.239
tors. eta vs tors. theta energy: -41.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -454.906037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.906037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.906037 (E_RNA)
where:
Base-Base interactions energy: -327.160
where: short stacking energy: -127.651
Base-Backbone interact. energy: -0.250
local terms energy: -137.496189
where:
bonds (distance) C4'-P energy: -20.107
bonds (distance) P-C4' energy: -25.657
flat angles C4'-P-C4' energy: -28.848
flat angles P-C4'-P energy: -20.719
tors. eta vs tors. theta energy: -42.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -439.096789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.096789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.096789 (E_RNA)
where:
Base-Base interactions energy: -320.852
where: short stacking energy: -121.777
Base-Backbone interact. energy: 0.353
local terms energy: -128.597820
where:
bonds (distance) C4'-P energy: -20.223
bonds (distance) P-C4' energy: -22.139
flat angles C4'-P-C4' energy: -28.905
flat angles P-C4'-P energy: -19.697
tors. eta vs tors. theta energy: -37.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -432.714910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.714910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.714910 (E_RNA)
where:
Base-Base interactions energy: -310.807
where: short stacking energy: -137.591
Base-Backbone interact. energy: -0.131
local terms energy: -131.777070
where:
bonds (distance) C4'-P energy: -22.771
bonds (distance) P-C4' energy: -19.289
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -20.238
tors. eta vs tors. theta energy: -39.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -425.840694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.840694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.840694 (E_RNA)
where:
Base-Base interactions energy: -303.922
where: short stacking energy: -121.337
Base-Backbone interact. energy: -0.681
local terms energy: -131.237891
where:
bonds (distance) C4'-P energy: -24.750
bonds (distance) P-C4' energy: -26.816
flat angles C4'-P-C4' energy: -27.369
flat angles P-C4'-P energy: -16.045
tors. eta vs tors. theta energy: -36.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -182.726767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.726767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.726767 (E_RNA)
where:
Base-Base interactions energy: -106.411
where: short stacking energy: -55.462
Base-Backbone interact. energy: -0.482
local terms energy: -85.834294
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -18.785
flat angles C4'-P-C4' energy: -23.495
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -5.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -500.984124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.984124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.984124 (E_RNA)
where:
Base-Base interactions energy: -357.060
where: short stacking energy: -143.668
Base-Backbone interact. energy: -0.123
local terms energy: -153.801161
where:
bonds (distance) C4'-P energy: -28.663
bonds (distance) P-C4' energy: -26.846
flat angles C4'-P-C4' energy: -32.922
flat angles P-C4'-P energy: -23.188
tors. eta vs tors. theta energy: -42.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -496.623331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.623331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.623331 (E_RNA)
where:
Base-Base interactions energy: -360.859
where: short stacking energy: -149.491
Base-Backbone interact. energy: -0.312
local terms energy: -145.452123
where:
bonds (distance) C4'-P energy: -26.353
bonds (distance) P-C4' energy: -24.500
flat angles C4'-P-C4' energy: -27.560
flat angles P-C4'-P energy: -22.716
tors. eta vs tors. theta energy: -44.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -483.010344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.010344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.010344 (E_RNA)
where:
Base-Base interactions energy: -342.627
where: short stacking energy: -145.277
Base-Backbone interact. energy: -0.024
local terms energy: -150.359738
where:
bonds (distance) C4'-P energy: -30.121
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -33.211
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -44.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -460.547279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.547279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.547279 (E_RNA)
where:
Base-Base interactions energy: -335.349
where: short stacking energy: -134.478
Base-Backbone interact. energy: -1.427
local terms energy: -133.771422
where:
bonds (distance) C4'-P energy: -22.713
bonds (distance) P-C4' energy: -25.434
flat angles C4'-P-C4' energy: -30.333
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -40.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -465.922752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.922752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.922752 (E_RNA)
where:
Base-Base interactions energy: -331.792
where: short stacking energy: -148.373
Base-Backbone interact. energy: -0.018
local terms energy: -144.112238
where:
bonds (distance) C4'-P energy: -23.985
bonds (distance) P-C4' energy: -22.256
flat angles C4'-P-C4' energy: -28.918
flat angles P-C4'-P energy: -22.736
tors. eta vs tors. theta energy: -46.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -460.984014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.984014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.984014 (E_RNA)
where:
Base-Base interactions energy: -338.974
where: short stacking energy: -142.812
Base-Backbone interact. energy: -0.053
local terms energy: -131.956990
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -27.131
flat angles C4'-P-C4' energy: -23.824
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -41.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -437.416832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.416832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.416832 (E_RNA)
where:
Base-Base interactions energy: -310.739
where: short stacking energy: -122.125
Base-Backbone interact. energy: -0.880
local terms energy: -135.798041
where:
bonds (distance) C4'-P energy: -28.825
bonds (distance) P-C4' energy: -23.929
flat angles C4'-P-C4' energy: -24.035
flat angles P-C4'-P energy: -25.647
tors. eta vs tors. theta energy: -33.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -427.962391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.962391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.962391 (E_RNA)
where:
Base-Base interactions energy: -310.325
where: short stacking energy: -116.585
Base-Backbone interact. energy: -0.063
local terms energy: -127.574412
where:
bonds (distance) C4'-P energy: -26.445
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -26.538
flat angles P-C4'-P energy: -17.549
tors. eta vs tors. theta energy: -32.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -412.419329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.419329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.419329 (E_RNA)
where:
Base-Base interactions energy: -301.791
where: short stacking energy: -124.226
Base-Backbone interact. energy: -0.200
local terms energy: -120.428598
where:
bonds (distance) C4'-P energy: -22.006
bonds (distance) P-C4' energy: -21.650
flat angles C4'-P-C4' energy: -24.103
flat angles P-C4'-P energy: -19.190
tors. eta vs tors. theta energy: -33.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -202.245486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.245486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.245486 (E_RNA)
where:
Base-Base interactions energy: -122.733
where: short stacking energy: -56.926
Base-Backbone interact. energy: -0.467
local terms energy: -89.044924
where:
bonds (distance) C4'-P energy: -23.257
bonds (distance) P-C4' energy: -26.341
flat angles C4'-P-C4' energy: -23.320
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -9.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -503.486496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.486496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.486496 (E_RNA)
where:
Base-Base interactions energy: -366.404
where: short stacking energy: -139.495
Base-Backbone interact. energy: -0.197
local terms energy: -146.885482
where:
bonds (distance) C4'-P energy: -25.422
bonds (distance) P-C4' energy: -29.063
flat angles C4'-P-C4' energy: -26.713
flat angles P-C4'-P energy: -24.627
tors. eta vs tors. theta energy: -41.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -490.972471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.972471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.972471 (E_RNA)
where:
Base-Base interactions energy: -349.585
where: short stacking energy: -148.106
Base-Backbone interact. energy: 0.338
local terms energy: -151.725835
where:
bonds (distance) C4'-P energy: -26.949
bonds (distance) P-C4' energy: -28.801
flat angles C4'-P-C4' energy: -28.887
flat angles P-C4'-P energy: -23.315
tors. eta vs tors. theta energy: -43.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -487.369990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.369990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.369990 (E_RNA)
where:
Base-Base interactions energy: -348.731
where: short stacking energy: -145.611
Base-Backbone interact. energy: -0.181
local terms energy: -148.457991
where:
bonds (distance) C4'-P energy: -26.357
bonds (distance) P-C4' energy: -27.030
flat angles C4'-P-C4' energy: -28.116
flat angles P-C4'-P energy: -20.865
tors. eta vs tors. theta energy: -46.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -448.136061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.136061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.136061 (E_RNA)
where:
Base-Base interactions energy: -322.853
where: short stacking energy: -132.009
Base-Backbone interact. energy: -0.084
local terms energy: -135.198756
where:
bonds (distance) C4'-P energy: -23.331
bonds (distance) P-C4' energy: -24.704
flat angles C4'-P-C4' energy: -28.591
flat angles P-C4'-P energy: -18.302
tors. eta vs tors. theta energy: -40.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -467.792241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.792241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.792241 (E_RNA)
where:
Base-Base interactions energy: -334.225
where: short stacking energy: -142.207
Base-Backbone interact. energy: -0.673
local terms energy: -142.894174
where:
bonds (distance) C4'-P energy: -27.078
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -31.583
flat angles P-C4'-P energy: -21.410
tors. eta vs tors. theta energy: -44.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -453.084495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.084495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.084495 (E_RNA)
where:
Base-Base interactions energy: -333.418
where: short stacking energy: -142.510
Base-Backbone interact. energy: -0.007
local terms energy: -129.659650
where:
bonds (distance) C4'-P energy: -25.114
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -21.881
flat angles P-C4'-P energy: -17.692
tors. eta vs tors. theta energy: -43.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -431.993132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.993132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.993132 (E_RNA)
where:
Base-Base interactions energy: -314.070
where: short stacking energy: -137.376
Base-Backbone interact. energy: -0.032
local terms energy: -127.890643
where:
bonds (distance) C4'-P energy: -22.595
bonds (distance) P-C4' energy: -20.174
flat angles C4'-P-C4' energy: -30.342
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -39.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -440.041259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.041259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.041259 (E_RNA)
where:
Base-Base interactions energy: -318.009
where: short stacking energy: -127.706
Base-Backbone interact. energy: -0.698
local terms energy: -131.334147
where:
bonds (distance) C4'-P energy: -23.720
bonds (distance) P-C4' energy: -27.290
flat angles C4'-P-C4' energy: -22.968
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -41.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -422.822021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.822021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.822021 (E_RNA)
where:
Base-Base interactions energy: -311.506
where: short stacking energy: -135.770
Base-Backbone interact. energy: -0.647
local terms energy: -120.668911
where:
bonds (distance) C4'-P energy: -22.637
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -23.887
flat angles P-C4'-P energy: -17.452
tors. eta vs tors. theta energy: -38.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -193.872893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.872893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.872893 (E_RNA)
where:
Base-Base interactions energy: -125.425
where: short stacking energy: -60.853
Base-Backbone interact. energy: 0.862
local terms energy: -79.310589
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -22.949
flat angles C4'-P-C4' energy: -21.361
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -7.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -496.489956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.489956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.489956 (E_RNA)
where:
Base-Base interactions energy: -362.523
where: short stacking energy: -137.699
Base-Backbone interact. energy: -0.143
local terms energy: -143.824895
where:
bonds (distance) C4'-P energy: -30.587
bonds (distance) P-C4' energy: -24.099
flat angles C4'-P-C4' energy: -29.693
flat angles P-C4'-P energy: -22.776
tors. eta vs tors. theta energy: -36.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -495.983559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.983559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.983559 (E_RNA)
where:
Base-Base interactions energy: -353.570
where: short stacking energy: -152.921
Base-Backbone interact. energy: -0.015
local terms energy: -152.398953
where:
bonds (distance) C4'-P energy: -21.070
bonds (distance) P-C4' energy: -30.537
flat angles C4'-P-C4' energy: -33.798
flat angles P-C4'-P energy: -19.168
tors. eta vs tors. theta energy: -47.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -482.077012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.077012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.077012 (E_RNA)
where:
Base-Base interactions energy: -350.724
where: short stacking energy: -136.068
Base-Backbone interact. energy: -0.408
local terms energy: -140.944756
where:
bonds (distance) C4'-P energy: -27.962
bonds (distance) P-C4' energy: -21.696
flat angles C4'-P-C4' energy: -30.225
flat angles P-C4'-P energy: -20.132
tors. eta vs tors. theta energy: -40.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -467.492807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.492807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.492807 (E_RNA)
where:
Base-Base interactions energy: -326.422
where: short stacking energy: -134.220
Base-Backbone interact. energy: -0.018
local terms energy: -151.052258
where:
bonds (distance) C4'-P energy: -27.215
bonds (distance) P-C4' energy: -27.508
flat angles C4'-P-C4' energy: -31.702
flat angles P-C4'-P energy: -23.101
tors. eta vs tors. theta energy: -41.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -470.117621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.117621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.117621 (E_RNA)
where:
Base-Base interactions energy: -348.573
where: short stacking energy: -151.118
Base-Backbone interact. energy: 0.306
local terms energy: -131.851091
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -20.406
flat angles C4'-P-C4' energy: -30.214
flat angles P-C4'-P energy: -15.641
tors. eta vs tors. theta energy: -42.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -447.328557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.328557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.328557 (E_RNA)
where:
Base-Base interactions energy: -315.233
where: short stacking energy: -138.494
Base-Backbone interact. energy: -0.156
local terms energy: -141.938896
where:
bonds (distance) C4'-P energy: -24.978
bonds (distance) P-C4' energy: -26.681
flat angles C4'-P-C4' energy: -29.123
flat angles P-C4'-P energy: -19.310
tors. eta vs tors. theta energy: -41.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -448.667003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.667003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.667003 (E_RNA)
where:
Base-Base interactions energy: -329.847
where: short stacking energy: -135.927
Base-Backbone interact. energy: -0.124
local terms energy: -128.695807
where:
bonds (distance) C4'-P energy: -16.674
bonds (distance) P-C4' energy: -25.326
flat angles C4'-P-C4' energy: -27.176
flat angles P-C4'-P energy: -17.099
tors. eta vs tors. theta energy: -42.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -431.926518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.926518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.926518 (E_RNA)
where:
Base-Base interactions energy: -310.846
where: short stacking energy: -130.958
Base-Backbone interact. energy: -1.437
local terms energy: -129.643742
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -24.029
flat angles P-C4'-P energy: -20.771
tors. eta vs tors. theta energy: -40.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -412.429561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.429561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.429561 (E_RNA)
where:
Base-Base interactions energy: -292.763
where: short stacking energy: -113.652
Base-Backbone interact. energy: -0.078
local terms energy: -129.588196
where:
bonds (distance) C4'-P energy: -22.684
bonds (distance) P-C4' energy: -26.349
flat angles C4'-P-C4' energy: -26.880
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -36.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -209.085475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.085475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.085475 (E_RNA)
where:
Base-Base interactions energy: -123.929
where: short stacking energy: -66.700
Base-Backbone interact. energy: -0.176
local terms energy: -94.981043
where:
bonds (distance) C4'-P energy: -22.769
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -24.067
flat angles P-C4'-P energy: -14.569
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -493.002256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.002256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.002256 (E_RNA)
where:
Base-Base interactions energy: -364.248
where: short stacking energy: -142.817
Base-Backbone interact. energy: -0.109
local terms energy: -138.645695
where:
bonds (distance) C4'-P energy: -23.450
bonds (distance) P-C4' energy: -23.668
flat angles C4'-P-C4' energy: -29.229
flat angles P-C4'-P energy: -24.086
tors. eta vs tors. theta energy: -38.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -486.744634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.744634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.744634 (E_RNA)
where:
Base-Base interactions energy: -350.186
where: short stacking energy: -140.069
Base-Backbone interact. energy: -1.911
local terms energy: -144.648541
where:
bonds (distance) C4'-P energy: -28.262
bonds (distance) P-C4' energy: -24.995
flat angles C4'-P-C4' energy: -29.502
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -44.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -482.396800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.396800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.396800 (E_RNA)
where:
Base-Base interactions energy: -343.272
where: short stacking energy: -143.001
Base-Backbone interact. energy: -0.289
local terms energy: -148.835527
where:
bonds (distance) C4'-P energy: -24.950
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -31.843
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -45.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -467.887012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.887012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.887012 (E_RNA)
where:
Base-Base interactions energy: -340.933
where: short stacking energy: -140.382
Base-Backbone interact. energy: -0.023
local terms energy: -136.930508
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -25.614
flat angles C4'-P-C4' energy: -28.656
flat angles P-C4'-P energy: -17.526
tors. eta vs tors. theta energy: -45.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -471.006205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.006205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.006205 (E_RNA)
where:
Base-Base interactions energy: -348.085
where: short stacking energy: -153.363
Base-Backbone interact. energy: -0.036
local terms energy: -132.885720
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -23.214
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -18.438
tors. eta vs tors. theta energy: -43.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -446.007079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.007079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.007079 (E_RNA)
where:
Base-Base interactions energy: -326.007
where: short stacking energy: -132.031
Base-Backbone interact. energy: -0.003
local terms energy: -129.996955
where:
bonds (distance) C4'-P energy: -25.864
bonds (distance) P-C4' energy: -26.358
flat angles C4'-P-C4' energy: -26.631
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -40.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -434.606851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.606851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.606851 (E_RNA)
where:
Base-Base interactions energy: -313.823
where: short stacking energy: -135.834
Base-Backbone interact. energy: -0.013
local terms energy: -130.771669
where:
bonds (distance) C4'-P energy: -16.024
bonds (distance) P-C4' energy: -26.698
flat angles C4'-P-C4' energy: -23.250
flat angles P-C4'-P energy: -25.342
tors. eta vs tors. theta energy: -39.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -448.506981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.506981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.506981 (E_RNA)
where:
Base-Base interactions energy: -312.316
where: short stacking energy: -128.524
Base-Backbone interact. energy: 0.821
local terms energy: -147.011521
where:
bonds (distance) C4'-P energy: -25.011
bonds (distance) P-C4' energy: -34.235
flat angles C4'-P-C4' energy: -28.712
flat angles P-C4'-P energy: -23.150
tors. eta vs tors. theta energy: -35.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -407.238868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.238868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.238868 (E_RNA)
where:
Base-Base interactions energy: -297.793
where: short stacking energy: -121.691
Base-Backbone interact. energy: -0.464
local terms energy: -118.982751
where:
bonds (distance) C4'-P energy: -23.179
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -25.652
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -34.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -214.109278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.109278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.109278 (E_RNA)
where:
Base-Base interactions energy: -129.443
where: short stacking energy: -68.033
Base-Backbone interact. energy: -0.589
local terms energy: -94.077401
where:
bonds (distance) C4'-P energy: -31.371
bonds (distance) P-C4' energy: -27.308
flat angles C4'-P-C4' energy: -18.617
flat angles P-C4'-P energy: -9.070
tors. eta vs tors. theta energy: -7.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -491.743527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.743527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.743527 (E_RNA)
where:
Base-Base interactions energy: -351.047
where: short stacking energy: -151.643
Base-Backbone interact. energy: -0.196
local terms energy: -150.500081
where:
bonds (distance) C4'-P energy: -25.423
bonds (distance) P-C4' energy: -28.235
flat angles C4'-P-C4' energy: -34.995
flat angles P-C4'-P energy: -16.070
tors. eta vs tors. theta energy: -45.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -494.719705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.719705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.719705 (E_RNA)
where:
Base-Base interactions energy: -355.146
where: short stacking energy: -132.656
Base-Backbone interact. energy: -0.220
local terms energy: -149.354021
where:
bonds (distance) C4'-P energy: -26.882
bonds (distance) P-C4' energy: -26.771
flat angles C4'-P-C4' energy: -30.623
flat angles P-C4'-P energy: -21.782
tors. eta vs tors. theta energy: -43.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -483.780756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.780756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.780756 (E_RNA)
where:
Base-Base interactions energy: -342.151
where: short stacking energy: -145.920
Base-Backbone interact. energy: -0.011
local terms energy: -151.619114
where:
bonds (distance) C4'-P energy: -28.999
bonds (distance) P-C4' energy: -27.857
flat angles C4'-P-C4' energy: -28.951
flat angles P-C4'-P energy: -22.367
tors. eta vs tors. theta energy: -43.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -484.750282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.750282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.750282 (E_RNA)
where:
Base-Base interactions energy: -339.331
where: short stacking energy: -150.018
Base-Backbone interact. energy: -0.006
local terms energy: -155.412863
where:
bonds (distance) C4'-P energy: -23.819
bonds (distance) P-C4' energy: -30.544
flat angles C4'-P-C4' energy: -31.078
flat angles P-C4'-P energy: -24.619
tors. eta vs tors. theta energy: -45.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -471.544655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.544655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.544655 (E_RNA)
where:
Base-Base interactions energy: -341.817
where: short stacking energy: -143.645
Base-Backbone interact. energy: 0.249
local terms energy: -139.976962
where:
bonds (distance) C4'-P energy: -25.095
bonds (distance) P-C4' energy: -21.420
flat angles C4'-P-C4' energy: -32.130
flat angles P-C4'-P energy: -19.636
tors. eta vs tors. theta energy: -41.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -428.748766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.748766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.748766 (E_RNA)
where:
Base-Base interactions energy: -313.478
where: short stacking energy: -136.455
Base-Backbone interact. energy: -0.151
local terms energy: -125.119734
where:
bonds (distance) C4'-P energy: -22.247
bonds (distance) P-C4' energy: -20.730
flat angles C4'-P-C4' energy: -22.931
flat angles P-C4'-P energy: -21.848
tors. eta vs tors. theta energy: -37.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -448.731215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.731215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.731215 (E_RNA)
where:
Base-Base interactions energy: -321.604
where: short stacking energy: -130.793
Base-Backbone interact. energy: -0.372
local terms energy: -136.754930
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -28.161
flat angles C4'-P-C4' energy: -27.237
flat angles P-C4'-P energy: -19.339
tors. eta vs tors. theta energy: -43.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -421.243661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.243661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.243661 (E_RNA)
where:
Base-Base interactions energy: -300.346
where: short stacking energy: -125.148
Base-Backbone interact. energy: -0.246
local terms energy: -130.651469
where:
bonds (distance) C4'-P energy: -23.526
bonds (distance) P-C4' energy: -27.516
flat angles C4'-P-C4' energy: -26.908
flat angles P-C4'-P energy: -16.388
tors. eta vs tors. theta energy: -36.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -422.132357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.132357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.132357 (E_RNA)
where:
Base-Base interactions energy: -316.936
where: short stacking energy: -125.348
Base-Backbone interact. energy: -0.196
local terms energy: -115.000553
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -24.005
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -39.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -202.755952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.755952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.755952 (E_RNA)
where:
Base-Base interactions energy: -132.459
where: short stacking energy: -62.431
Base-Backbone interact. energy: -0.860
local terms energy: -79.437260
where:
bonds (distance) C4'-P energy: -19.634
bonds (distance) P-C4' energy: -27.997
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -5.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -495.262004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.262004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.262004 (E_RNA)
where:
Base-Base interactions energy: -353.300
where: short stacking energy: -146.561
Base-Backbone interact. energy: -0.770
local terms energy: -151.191875
where:
bonds (distance) C4'-P energy: -27.832
bonds (distance) P-C4' energy: -31.011
flat angles C4'-P-C4' energy: -28.239
flat angles P-C4'-P energy: -21.608
tors. eta vs tors. theta energy: -42.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -496.623730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.623730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.623730 (E_RNA)
where:
Base-Base interactions energy: -353.275
where: short stacking energy: -135.932
Base-Backbone interact. energy: -0.598
local terms energy: -152.750508
where:
bonds (distance) C4'-P energy: -27.525
bonds (distance) P-C4' energy: -30.523
flat angles C4'-P-C4' energy: -34.957
flat angles P-C4'-P energy: -21.885
tors. eta vs tors. theta energy: -37.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -476.435921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.435921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.435921 (E_RNA)
where:
Base-Base interactions energy: -347.634
where: short stacking energy: -139.509
Base-Backbone interact. energy: 2.209
local terms energy: -141.011139
where:
bonds (distance) C4'-P energy: -19.746
bonds (distance) P-C4' energy: -29.766
flat angles C4'-P-C4' energy: -27.688
flat angles P-C4'-P energy: -21.906
tors. eta vs tors. theta energy: -41.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -475.807672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.807672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.807672 (E_RNA)
where:
Base-Base interactions energy: -329.643
where: short stacking energy: -139.402
Base-Backbone interact. energy: -0.097
local terms energy: -156.067443
where:
bonds (distance) C4'-P energy: -29.223
bonds (distance) P-C4' energy: -29.946
flat angles C4'-P-C4' energy: -29.921
flat angles P-C4'-P energy: -23.703
tors. eta vs tors. theta energy: -43.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -459.883499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.883499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.883499 (E_RNA)
where:
Base-Base interactions energy: -335.508
where: short stacking energy: -132.937
Base-Backbone interact. energy: 1.225
local terms energy: -135.601065
where:
bonds (distance) C4'-P energy: -23.606
bonds (distance) P-C4' energy: -23.436
flat angles C4'-P-C4' energy: -26.036
flat angles P-C4'-P energy: -20.899
tors. eta vs tors. theta energy: -41.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -457.337323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.337323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.337323 (E_RNA)
where:
Base-Base interactions energy: -330.089
where: short stacking energy: -134.987
Base-Backbone interact. energy: -0.280
local terms energy: -136.968555
where:
bonds (distance) C4'-P energy: -23.300
bonds (distance) P-C4' energy: -22.130
flat angles C4'-P-C4' energy: -29.993
flat angles P-C4'-P energy: -20.972
tors. eta vs tors. theta energy: -40.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -423.691017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.691017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.691017 (E_RNA)
where:
Base-Base interactions energy: -308.452
where: short stacking energy: -123.960
Base-Backbone interact. energy: -0.348
local terms energy: -124.890902
where:
bonds (distance) C4'-P energy: -19.406
bonds (distance) P-C4' energy: -25.952
flat angles C4'-P-C4' energy: -25.189
flat angles P-C4'-P energy: -18.935
tors. eta vs tors. theta energy: -35.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -411.301334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.301334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.301334 (E_RNA)
where:
Base-Base interactions energy: -291.361
where: short stacking energy: -128.741
Base-Backbone interact. energy: -0.387
local terms energy: -129.553815
where:
bonds (distance) C4'-P energy: -25.141
bonds (distance) P-C4' energy: -22.208
flat angles C4'-P-C4' energy: -26.333
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -35.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -444.210488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.210488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.210488 (E_RNA)
where:
Base-Base interactions energy: -314.886
where: short stacking energy: -137.251
Base-Backbone interact. energy: -0.168
local terms energy: -139.156043
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -22.725
flat angles C4'-P-C4' energy: -32.550
flat angles P-C4'-P energy: -20.249
tors. eta vs tors. theta energy: -44.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -228.600555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.600555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.600555 (E_RNA)
where:
Base-Base interactions energy: -137.685
where: short stacking energy: -69.570
Base-Backbone interact. energy: -0.315
local terms energy: -100.601411
where:
bonds (distance) C4'-P energy: -22.022
bonds (distance) P-C4' energy: -24.705
flat angles C4'-P-C4' energy: -24.592
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -494.607549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.607549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.607549 (E_RNA)
where:
Base-Base interactions energy: -352.710
where: short stacking energy: -138.061
Base-Backbone interact. energy: -1.078
local terms energy: -150.819063
where:
bonds (distance) C4'-P energy: -31.537
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -24.157
flat angles P-C4'-P energy: -23.038
tors. eta vs tors. theta energy: -43.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -494.891408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.891408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.891408 (E_RNA)
where:
Base-Base interactions energy: -353.249
where: short stacking energy: -150.006
Base-Backbone interact. energy: -0.577
local terms energy: -151.065141
where:
bonds (distance) C4'-P energy: -28.800
bonds (distance) P-C4' energy: -23.141
flat angles C4'-P-C4' energy: -28.499
flat angles P-C4'-P energy: -24.624
tors. eta vs tors. theta energy: -46.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -483.522205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.522205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.522205 (E_RNA)
where:
Base-Base interactions energy: -344.350
where: short stacking energy: -152.642
Base-Backbone interact. energy: -1.311
local terms energy: -147.861715
where:
bonds (distance) C4'-P energy: -27.811
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -32.937
flat angles P-C4'-P energy: -26.257
tors. eta vs tors. theta energy: -44.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -461.338848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.338848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.338848 (E_RNA)
where:
Base-Base interactions energy: -334.627
where: short stacking energy: -144.423
Base-Backbone interact. energy: -1.018
local terms energy: -135.693640
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -27.067
flat angles P-C4'-P energy: -21.309
tors. eta vs tors. theta energy: -44.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -463.149510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.149510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.149510 (E_RNA)
where:
Base-Base interactions energy: -322.904
where: short stacking energy: -140.153
Base-Backbone interact. energy: -0.146
local terms energy: -150.099179
where:
bonds (distance) C4'-P energy: -27.958
bonds (distance) P-C4' energy: -25.238
flat angles C4'-P-C4' energy: -29.206
flat angles P-C4'-P energy: -23.666
tors. eta vs tors. theta energy: -44.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -439.626495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.626495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.626495 (E_RNA)
where:
Base-Base interactions energy: -314.603
where: short stacking energy: -134.621
Base-Backbone interact. energy: -0.027
local terms energy: -134.996633
where:
bonds (distance) C4'-P energy: -15.725
bonds (distance) P-C4' energy: -28.564
flat angles C4'-P-C4' energy: -23.781
flat angles P-C4'-P energy: -22.056
tors. eta vs tors. theta energy: -44.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -428.509114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.509114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.509114 (E_RNA)
where:
Base-Base interactions energy: -306.557
where: short stacking energy: -123.849
Base-Backbone interact. energy: -0.270
local terms energy: -131.681558
where:
bonds (distance) C4'-P energy: -22.928
bonds (distance) P-C4' energy: -23.333
flat angles C4'-P-C4' energy: -30.641
flat angles P-C4'-P energy: -17.993
tors. eta vs tors. theta energy: -36.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -409.009161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.009161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.009161 (E_RNA)
where:
Base-Base interactions energy: -301.618
where: short stacking energy: -122.439
Base-Backbone interact. energy: 0.657
local terms energy: -118.048013
where:
bonds (distance) C4'-P energy: -22.452
bonds (distance) P-C4' energy: -25.268
flat angles C4'-P-C4' energy: -25.181
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -33.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -402.450004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.450004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.450004 (E_RNA)
where:
Base-Base interactions energy: -290.885
where: short stacking energy: -125.767
Base-Backbone interact. energy: -0.201
local terms energy: -121.363889
where:
bonds (distance) C4'-P energy: -24.196
bonds (distance) P-C4' energy: -14.160
flat angles C4'-P-C4' energy: -26.566
flat angles P-C4'-P energy: -16.664
tors. eta vs tors. theta energy: -39.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -206.407186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.407186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.407186 (E_RNA)
where:
Base-Base interactions energy: -125.110
where: short stacking energy: -60.363
Base-Backbone interact. energy: 1.305
local terms energy: -92.602565
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -29.585
flat angles C4'-P-C4' energy: -25.792
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -10.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -503.321193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.321193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.321193 (E_RNA)
where:
Base-Base interactions energy: -359.450
where: short stacking energy: -149.072
Base-Backbone interact. energy: 0.532
local terms energy: -154.403229
where:
bonds (distance) C4'-P energy: -28.982
bonds (distance) P-C4' energy: -27.736
flat angles C4'-P-C4' energy: -29.902
flat angles P-C4'-P energy: -25.094
tors. eta vs tors. theta energy: -42.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -489.098562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.098562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.098562 (E_RNA)
where:
Base-Base interactions energy: -342.573
where: short stacking energy: -145.215
Base-Backbone interact. energy: -0.001
local terms energy: -156.524054
where:
bonds (distance) C4'-P energy: -32.307
bonds (distance) P-C4' energy: -23.566
flat angles C4'-P-C4' energy: -31.393
flat angles P-C4'-P energy: -25.710
tors. eta vs tors. theta energy: -43.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -489.585429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.585429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.585429 (E_RNA)
where:
Base-Base interactions energy: -341.192
where: short stacking energy: -145.178
Base-Backbone interact. energy: -0.049
local terms energy: -158.344806
where:
bonds (distance) C4'-P energy: -32.066
bonds (distance) P-C4' energy: -25.141
flat angles C4'-P-C4' energy: -32.623
flat angles P-C4'-P energy: -23.207
tors. eta vs tors. theta energy: -45.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -478.993928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.993928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.993928 (E_RNA)
where:
Base-Base interactions energy: -349.590
where: short stacking energy: -146.347
Base-Backbone interact. energy: -0.624
local terms energy: -138.780044
where:
bonds (distance) C4'-P energy: -25.980
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -32.629
flat angles P-C4'-P energy: -16.432
tors. eta vs tors. theta energy: -45.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -467.965684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.965684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.965684 (E_RNA)
where:
Base-Base interactions energy: -337.221
where: short stacking energy: -143.014
Base-Backbone interact. energy: -0.003
local terms energy: -140.742100
where:
bonds (distance) C4'-P energy: -22.001
bonds (distance) P-C4' energy: -26.635
flat angles C4'-P-C4' energy: -27.089
flat angles P-C4'-P energy: -18.966
tors. eta vs tors. theta energy: -46.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -448.086223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.086223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.086223 (E_RNA)
where:
Base-Base interactions energy: -335.435
where: short stacking energy: -137.076
Base-Backbone interact. energy: -0.517
local terms energy: -122.134090
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -27.018
flat angles P-C4'-P energy: -19.958
tors. eta vs tors. theta energy: -40.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -457.283904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.283904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.283904 (E_RNA)
where:
Base-Base interactions energy: -326.517
where: short stacking energy: -136.698
Base-Backbone interact. energy: -0.034
local terms energy: -140.732997
where:
bonds (distance) C4'-P energy: -23.248
bonds (distance) P-C4' energy: -25.987
flat angles C4'-P-C4' energy: -31.989
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -43.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -433.097864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.097864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.097864 (E_RNA)
where:
Base-Base interactions energy: -327.917
where: short stacking energy: -138.445
Base-Backbone interact. energy: -0.126
local terms energy: -115.055243
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -22.764
flat angles C4'-P-C4' energy: -24.283
flat angles P-C4'-P energy: -15.752
tors. eta vs tors. theta energy: -39.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -412.115917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.115917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.115917 (E_RNA)
where:
Base-Base interactions energy: -292.889
where: short stacking energy: -123.721
Base-Backbone interact. energy: -0.391
local terms energy: -128.836329
where:
bonds (distance) C4'-P energy: -22.166
bonds (distance) P-C4' energy: -26.039
flat angles C4'-P-C4' energy: -23.920
flat angles P-C4'-P energy: -19.107
tors. eta vs tors. theta energy: -37.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -234.030443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.030443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.030443 (E_RNA)
where:
Base-Base interactions energy: -135.570
where: short stacking energy: -69.886
Base-Backbone interact. energy: -0.310
local terms energy: -108.151207
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -25.344
flat angles C4'-P-C4' energy: -27.779
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -23.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -494.914449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.914449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.914449 (E_RNA)
where:
Base-Base interactions energy: -360.046
where: short stacking energy: -152.510
Base-Backbone interact. energy: -0.186
local terms energy: -144.682392
where:
bonds (distance) C4'-P energy: -23.173
bonds (distance) P-C4' energy: -27.768
flat angles C4'-P-C4' energy: -27.778
flat angles P-C4'-P energy: -22.448
tors. eta vs tors. theta energy: -43.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -491.227468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.227468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.227468 (E_RNA)
where:
Base-Base interactions energy: -348.114
where: short stacking energy: -133.760
Base-Backbone interact. energy: -1.556
local terms energy: -151.557601
where:
bonds (distance) C4'-P energy: -25.005
bonds (distance) P-C4' energy: -27.752
flat angles C4'-P-C4' energy: -32.238
flat angles P-C4'-P energy: -24.035
tors. eta vs tors. theta energy: -42.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -479.897972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.897972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.897972 (E_RNA)
where:
Base-Base interactions energy: -342.145
where: short stacking energy: -149.388
Base-Backbone interact. energy: -0.602
local terms energy: -147.150100
where:
bonds (distance) C4'-P energy: -23.013
bonds (distance) P-C4' energy: -25.012
flat angles C4'-P-C4' energy: -33.355
flat angles P-C4'-P energy: -20.075
tors. eta vs tors. theta energy: -45.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -469.699440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.699440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.699440 (E_RNA)
where:
Base-Base interactions energy: -332.238
where: short stacking energy: -135.734
Base-Backbone interact. energy: 1.486
local terms energy: -148.947203
where:
bonds (distance) C4'-P energy: -25.435
bonds (distance) P-C4' energy: -28.634
flat angles C4'-P-C4' energy: -30.909
flat angles P-C4'-P energy: -18.566
tors. eta vs tors. theta energy: -45.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -462.231410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.231410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.231410 (E_RNA)
where:
Base-Base interactions energy: -331.721
where: short stacking energy: -140.010
Base-Backbone interact. energy: -0.027
local terms energy: -140.483576
where:
bonds (distance) C4'-P energy: -24.104
bonds (distance) P-C4' energy: -24.257
flat angles C4'-P-C4' energy: -23.392
flat angles P-C4'-P energy: -23.200
tors. eta vs tors. theta energy: -45.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -445.585541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.585541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.585541 (E_RNA)
where:
Base-Base interactions energy: -320.540
where: short stacking energy: -124.556
Base-Backbone interact. energy: 0.097
local terms energy: -135.142466
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -27.354
flat angles C4'-P-C4' energy: -29.419
flat angles P-C4'-P energy: -21.245
tors. eta vs tors. theta energy: -38.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -443.373471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.373471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.373471 (E_RNA)
where:
Base-Base interactions energy: -331.413
where: short stacking energy: -139.186
Base-Backbone interact. energy: -0.086
local terms energy: -121.873788
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -26.971
flat angles P-C4'-P energy: -19.646
tors. eta vs tors. theta energy: -40.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -455.224594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.224594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.224594 (E_RNA)
where:
Base-Base interactions energy: -341.944
where: short stacking energy: -139.460
Base-Backbone interact. energy: -0.592
local terms energy: -122.688721
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -25.737
flat angles P-C4'-P energy: -20.542
tors. eta vs tors. theta energy: -39.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -439.016343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.016343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.016343 (E_RNA)
where:
Base-Base interactions energy: -314.396
where: short stacking energy: -132.602
Base-Backbone interact. energy: -0.100
local terms energy: -134.520479
where:
bonds (distance) C4'-P energy: -20.670
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -28.359
flat angles P-C4'-P energy: -18.758
tors. eta vs tors. theta energy: -44.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -240.147269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.147269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.147269 (E_RNA)
where:
Base-Base interactions energy: -164.353
where: short stacking energy: -72.680
Base-Backbone interact. energy: -0.097
local terms energy: -85.697749
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -13.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -493.607833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.607833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.607833 (E_RNA)
where:
Base-Base interactions energy: -355.024
where: short stacking energy: -148.001
Base-Backbone interact. energy: -0.292
local terms energy: -148.292029
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -25.771
flat angles C4'-P-C4' energy: -29.964
flat angles P-C4'-P energy: -19.711
tors. eta vs tors. theta energy: -45.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -489.050936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.050936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.050936 (E_RNA)
where:
Base-Base interactions energy: -344.978
where: short stacking energy: -147.551
Base-Backbone interact. energy: -0.395
local terms energy: -153.678516
where:
bonds (distance) C4'-P energy: -23.427
bonds (distance) P-C4' energy: -27.169
flat angles C4'-P-C4' energy: -34.278
flat angles P-C4'-P energy: -26.346
tors. eta vs tors. theta energy: -42.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -487.433594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.433594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.433594 (E_RNA)
where:
Base-Base interactions energy: -350.052
where: short stacking energy: -153.993
Base-Backbone interact. energy: -0.253
local terms energy: -147.128122
where:
bonds (distance) C4'-P energy: -26.598
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -32.499
flat angles P-C4'-P energy: -22.911
tors. eta vs tors. theta energy: -45.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -473.691301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.691301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.691301 (E_RNA)
where:
Base-Base interactions energy: -344.036
where: short stacking energy: -143.799
Base-Backbone interact. energy: -0.048
local terms energy: -139.606998
where:
bonds (distance) C4'-P energy: -27.653
bonds (distance) P-C4' energy: -19.557
flat angles C4'-P-C4' energy: -26.049
flat angles P-C4'-P energy: -21.897
tors. eta vs tors. theta energy: -44.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -460.771766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.771766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.771766 (E_RNA)
where:
Base-Base interactions energy: -329.696
where: short stacking energy: -137.494
Base-Backbone interact. energy: -1.349
local terms energy: -139.727166
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -27.994
flat angles C4'-P-C4' energy: -28.301
flat angles P-C4'-P energy: -15.868
tors. eta vs tors. theta energy: -42.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -462.040285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.040285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.040285 (E_RNA)
where:
Base-Base interactions energy: -335.480
where: short stacking energy: -137.360
Base-Backbone interact. energy: -0.454
local terms energy: -136.106022
where:
bonds (distance) C4'-P energy: -26.324
bonds (distance) P-C4' energy: -22.466
flat angles C4'-P-C4' energy: -25.380
flat angles P-C4'-P energy: -19.008
tors. eta vs tors. theta energy: -42.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -442.508593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.508593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.508593 (E_RNA)
where:
Base-Base interactions energy: -323.187
where: short stacking energy: -134.750
Base-Backbone interact. energy: -0.107
local terms energy: -129.214694
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -25.256
flat angles C4'-P-C4' energy: -26.335
flat angles P-C4'-P energy: -17.673
tors. eta vs tors. theta energy: -37.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -413.285954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.285954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.285954 (E_RNA)
where:
Base-Base interactions energy: -298.075
where: short stacking energy: -122.738
Base-Backbone interact. energy: -0.082
local terms energy: -125.128318
where:
bonds (distance) C4'-P energy: -20.185
bonds (distance) P-C4' energy: -22.846
flat angles C4'-P-C4' energy: -26.533
flat angles P-C4'-P energy: -22.078
tors. eta vs tors. theta energy: -33.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -401.017365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.017365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.017365 (E_RNA)
where:
Base-Base interactions energy: -282.026
where: short stacking energy: -110.288
Base-Backbone interact. energy: -0.375
local terms energy: -128.615891
where:
bonds (distance) C4'-P energy: -26.259
bonds (distance) P-C4' energy: -27.715
flat angles C4'-P-C4' energy: -27.260
flat angles P-C4'-P energy: -17.704
tors. eta vs tors. theta energy: -29.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -235.164498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.164498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.164498 (E_RNA)
where:
Base-Base interactions energy: -159.732
where: short stacking energy: -78.204
Base-Backbone interact. energy: -0.979
local terms energy: -84.453519
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -23.226
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -16.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -494.856240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.856240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.856240 (E_RNA)
where:
Base-Base interactions energy: -352.638
where: short stacking energy: -140.938
Base-Backbone interact. energy: -0.114
local terms energy: -152.104352
where:
bonds (distance) C4'-P energy: -25.148
bonds (distance) P-C4' energy: -26.938
flat angles C4'-P-C4' energy: -28.505
flat angles P-C4'-P energy: -27.350
tors. eta vs tors. theta energy: -44.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -481.124476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.124476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.124476 (E_RNA)
where:
Base-Base interactions energy: -343.909
where: short stacking energy: -145.023
Base-Backbone interact. energy: -0.039
local terms energy: -147.176297
where:
bonds (distance) C4'-P energy: -24.318
bonds (distance) P-C4' energy: -24.792
flat angles C4'-P-C4' energy: -30.288
flat angles P-C4'-P energy: -20.906
tors. eta vs tors. theta energy: -46.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -474.247492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.247492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.247492 (E_RNA)
where:
Base-Base interactions energy: -346.343
where: short stacking energy: -143.846
Base-Backbone interact. energy: -0.043
local terms energy: -137.860983
where:
bonds (distance) C4'-P energy: -26.212
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -25.417
flat angles P-C4'-P energy: -22.001
tors. eta vs tors. theta energy: -42.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -482.671317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.671317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.671317 (E_RNA)
where:
Base-Base interactions energy: -335.049
where: short stacking energy: -142.196
Base-Backbone interact. energy: -0.003
local terms energy: -157.619511
where:
bonds (distance) C4'-P energy: -28.878
bonds (distance) P-C4' energy: -28.264
flat angles C4'-P-C4' energy: -27.875
flat angles P-C4'-P energy: -27.233
tors. eta vs tors. theta energy: -45.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -460.203800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.203800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.203800 (E_RNA)
where:
Base-Base interactions energy: -327.139
where: short stacking energy: -138.932
Base-Backbone interact. energy: -1.010
local terms energy: -142.054895
where:
bonds (distance) C4'-P energy: -24.943
bonds (distance) P-C4' energy: -24.765
flat angles C4'-P-C4' energy: -28.094
flat angles P-C4'-P energy: -22.861
tors. eta vs tors. theta energy: -41.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -444.634951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.634951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.634951 (E_RNA)
where:
Base-Base interactions energy: -324.528
where: short stacking energy: -130.699
Base-Backbone interact. energy: -0.061
local terms energy: -130.045666
where:
bonds (distance) C4'-P energy: -21.132
bonds (distance) P-C4' energy: -21.612
flat angles C4'-P-C4' energy: -27.124
flat angles P-C4'-P energy: -22.255
tors. eta vs tors. theta energy: -37.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -443.329361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.329361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.329361 (E_RNA)
where:
Base-Base interactions energy: -316.574
where: short stacking energy: -129.821
Base-Backbone interact. energy: -0.066
local terms energy: -136.689195
where:
bonds (distance) C4'-P energy: -25.256
bonds (distance) P-C4' energy: -21.633
flat angles C4'-P-C4' energy: -30.844
flat angles P-C4'-P energy: -18.903
tors. eta vs tors. theta energy: -40.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -431.269928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.269928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.269928 (E_RNA)
where:
Base-Base interactions energy: -314.630
where: short stacking energy: -136.072
Base-Backbone interact. energy: -0.033
local terms energy: -126.606597
where:
bonds (distance) C4'-P energy: -20.112
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -32.590
flat angles P-C4'-P energy: -19.928
tors. eta vs tors. theta energy: -42.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -417.886718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.886718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.886718 (E_RNA)
where:
Base-Base interactions energy: -297.800
where: short stacking energy: -121.171
Base-Backbone interact. energy: -0.660
local terms energy: -129.426274
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -21.814
flat angles C4'-P-C4' energy: -30.253
flat angles P-C4'-P energy: -20.653
tors. eta vs tors. theta energy: -36.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -216.323480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.323480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.323480 (E_RNA)
where:
Base-Base interactions energy: -146.081
where: short stacking energy: -66.496
Base-Backbone interact. energy: 0.699
local terms energy: -80.941093
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -21.636
flat angles C4'-P-C4' energy: -22.048
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -12.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -494.542066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.542066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.542066 (E_RNA)
where:
Base-Base interactions energy: -351.926
where: short stacking energy: -144.362
Base-Backbone interact. energy: -0.397
local terms energy: -152.218796
where:
bonds (distance) C4'-P energy: -28.845
bonds (distance) P-C4' energy: -29.036
flat angles C4'-P-C4' energy: -28.416
flat angles P-C4'-P energy: -23.833
tors. eta vs tors. theta energy: -42.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -495.671418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.671418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.671418 (E_RNA)
where:
Base-Base interactions energy: -350.670
where: short stacking energy: -150.192
Base-Backbone interact. energy: -0.042
local terms energy: -154.959799
where:
bonds (distance) C4'-P energy: -31.164
bonds (distance) P-C4' energy: -24.297
flat angles C4'-P-C4' energy: -30.827
flat angles P-C4'-P energy: -24.621
tors. eta vs tors. theta energy: -44.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -480.499390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.499390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.499390 (E_RNA)
where:
Base-Base interactions energy: -343.835
where: short stacking energy: -150.253
Base-Backbone interact. energy: 0.085
local terms energy: -146.749280
where:
bonds (distance) C4'-P energy: -25.339
bonds (distance) P-C4' energy: -28.865
flat angles C4'-P-C4' energy: -30.460
flat angles P-C4'-P energy: -18.552
tors. eta vs tors. theta energy: -43.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -474.699092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.699092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.699092 (E_RNA)
where:
Base-Base interactions energy: -339.851
where: short stacking energy: -144.915
Base-Backbone interact. energy: -0.001
local terms energy: -144.847243
where:
bonds (distance) C4'-P energy: -22.843
bonds (distance) P-C4' energy: -20.865
flat angles C4'-P-C4' energy: -35.681
flat angles P-C4'-P energy: -22.120
tors. eta vs tors. theta energy: -43.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -456.389980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.389980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.389980 (E_RNA)
where:
Base-Base interactions energy: -312.223
where: short stacking energy: -134.516
Base-Backbone interact. energy: -0.506
local terms energy: -153.661031
where:
bonds (distance) C4'-P energy: -31.639
bonds (distance) P-C4' energy: -26.852
flat angles C4'-P-C4' energy: -31.970
flat angles P-C4'-P energy: -20.928
tors. eta vs tors. theta energy: -42.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -455.958124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.958124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.958124 (E_RNA)
where:
Base-Base interactions energy: -334.810
where: short stacking energy: -139.183
Base-Backbone interact. energy: -0.102
local terms energy: -131.046589
where:
bonds (distance) C4'-P energy: -20.644
bonds (distance) P-C4' energy: -19.798
flat angles C4'-P-C4' energy: -28.953
flat angles P-C4'-P energy: -18.095
tors. eta vs tors. theta energy: -43.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -446.672393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.672393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.672393 (E_RNA)
where:
Base-Base interactions energy: -324.093
where: short stacking energy: -128.790
Base-Backbone interact. energy: -0.018
local terms energy: -132.561319
where:
bonds (distance) C4'-P energy: -23.868
bonds (distance) P-C4' energy: -21.881
flat angles C4'-P-C4' energy: -30.311
flat angles P-C4'-P energy: -18.503
tors. eta vs tors. theta energy: -37.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -438.976014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.976014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.976014 (E_RNA)
where:
Base-Base interactions energy: -315.962
where: short stacking energy: -129.455
Base-Backbone interact. energy: -0.248
local terms energy: -132.766033
where:
bonds (distance) C4'-P energy: -26.272
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -30.258
flat angles P-C4'-P energy: -19.491
tors. eta vs tors. theta energy: -40.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -411.913587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.913587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.913587 (E_RNA)
where:
Base-Base interactions energy: -293.097
where: short stacking energy: -124.551
Base-Backbone interact. energy: -0.515
local terms energy: -128.301962
where:
bonds (distance) C4'-P energy: -19.849
bonds (distance) P-C4' energy: -26.162
flat angles C4'-P-C4' energy: -27.935
flat angles P-C4'-P energy: -19.208
tors. eta vs tors. theta energy: -35.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -212.280878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.280878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.280878 (E_RNA)
where:
Base-Base interactions energy: -129.595
where: short stacking energy: -69.909
Base-Backbone interact. energy: 0.581
local terms energy: -93.266968
where:
bonds (distance) C4'-P energy: -22.545
bonds (distance) P-C4' energy: -24.452
flat angles C4'-P-C4' energy: -24.894
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -7.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -502.665394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.665394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.665394 (E_RNA)
where:
Base-Base interactions energy: -347.570
where: short stacking energy: -151.931
Base-Backbone interact. energy: -0.220
local terms energy: -164.875072
where:
bonds (distance) C4'-P energy: -28.316
bonds (distance) P-C4' energy: -34.926
flat angles C4'-P-C4' energy: -31.847
flat angles P-C4'-P energy: -23.945
tors. eta vs tors. theta energy: -45.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -486.737665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.737665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.737665 (E_RNA)
where:
Base-Base interactions energy: -347.892
where: short stacking energy: -144.598
Base-Backbone interact. energy: 0.321
local terms energy: -149.166870
where:
bonds (distance) C4'-P energy: -22.661
bonds (distance) P-C4' energy: -31.467
flat angles C4'-P-C4' energy: -27.807
flat angles P-C4'-P energy: -24.105
tors. eta vs tors. theta energy: -43.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -488.150887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.150887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.150887 (E_RNA)
where:
Base-Base interactions energy: -341.136
where: short stacking energy: -146.674
Base-Backbone interact. energy: -0.297
local terms energy: -156.717262
where:
bonds (distance) C4'-P energy: -29.454
bonds (distance) P-C4' energy: -26.137
flat angles C4'-P-C4' energy: -32.992
flat angles P-C4'-P energy: -21.700
tors. eta vs tors. theta energy: -46.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -479.870206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.870206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.870206 (E_RNA)
where:
Base-Base interactions energy: -344.141
where: short stacking energy: -138.650
Base-Backbone interact. energy: -0.012
local terms energy: -145.716590
where:
bonds (distance) C4'-P energy: -23.616
bonds (distance) P-C4' energy: -25.665
flat angles C4'-P-C4' energy: -32.332
flat angles P-C4'-P energy: -21.531
tors. eta vs tors. theta energy: -42.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -460.594201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.594201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.594201 (E_RNA)
where:
Base-Base interactions energy: -326.585
where: short stacking energy: -137.039
Base-Backbone interact. energy: -0.185
local terms energy: -143.824585
where:
bonds (distance) C4'-P energy: -25.896
bonds (distance) P-C4' energy: -25.561
flat angles C4'-P-C4' energy: -29.739
flat angles P-C4'-P energy: -21.186
tors. eta vs tors. theta energy: -41.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -462.018135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.018135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.018135 (E_RNA)
where:
Base-Base interactions energy: -336.203
where: short stacking energy: -137.884
Base-Backbone interact. energy: -0.241
local terms energy: -135.573479
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -27.714
flat angles C4'-P-C4' energy: -29.675
flat angles P-C4'-P energy: -21.007
tors. eta vs tors. theta energy: -40.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -460.121962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.121962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.121962 (E_RNA)
where:
Base-Base interactions energy: -335.816
where: short stacking energy: -140.004
Base-Backbone interact. energy: -0.161
local terms energy: -134.144627
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -24.670
flat angles C4'-P-C4' energy: -29.976
flat angles P-C4'-P energy: -17.170
tors. eta vs tors. theta energy: -46.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -418.649853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.649853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.649853 (E_RNA)
where:
Base-Base interactions energy: -314.972
where: short stacking energy: -126.261
Base-Backbone interact. energy: -0.563
local terms energy: -113.115097
where:
bonds (distance) C4'-P energy: -21.733
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -22.340
flat angles P-C4'-P energy: -14.333
tors. eta vs tors. theta energy: -37.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -421.251796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.251796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.251796 (E_RNA)
where:
Base-Base interactions energy: -308.438
where: short stacking energy: -128.165
Base-Backbone interact. energy: 1.471
local terms energy: -124.285300
where:
bonds (distance) C4'-P energy: -26.319
bonds (distance) P-C4' energy: -22.002
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -17.075
tors. eta vs tors. theta energy: -39.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -217.679651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.679651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.679651 (E_RNA)
where:
Base-Base interactions energy: -144.080
where: short stacking energy: -73.538
Base-Backbone interact. energy: -0.474
local terms energy: -83.125789
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -31.064
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -503.515191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.515191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.515191 (E_RNA)
where:
Base-Base interactions energy: -367.870
where: short stacking energy: -149.862
Base-Backbone interact. energy: -0.242
local terms energy: -145.403109
where:
bonds (distance) C4'-P energy: -22.896
bonds (distance) P-C4' energy: -24.513
flat angles C4'-P-C4' energy: -30.246
flat angles P-C4'-P energy: -20.591
tors. eta vs tors. theta energy: -47.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -487.442802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.442802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.442802 (E_RNA)
where:
Base-Base interactions energy: -343.337
where: short stacking energy: -143.659
Base-Backbone interact. energy: -0.006
local terms energy: -154.100353
where:
bonds (distance) C4'-P energy: -30.556
bonds (distance) P-C4' energy: -27.643
flat angles C4'-P-C4' energy: -33.105
flat angles P-C4'-P energy: -19.913
tors. eta vs tors. theta energy: -42.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -483.346526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.346526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.346526 (E_RNA)
where:
Base-Base interactions energy: -347.458
where: short stacking energy: -146.786
Base-Backbone interact. energy: -0.005
local terms energy: -145.883063
where:
bonds (distance) C4'-P energy: -28.429
bonds (distance) P-C4' energy: -24.189
flat angles C4'-P-C4' energy: -31.052
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -42.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -473.578512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.578512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.578512 (E_RNA)
where:
Base-Base interactions energy: -336.716
where: short stacking energy: -137.837
Base-Backbone interact. energy: -0.892
local terms energy: -145.970415
where:
bonds (distance) C4'-P energy: -25.830
bonds (distance) P-C4' energy: -24.355
flat angles C4'-P-C4' energy: -31.960
flat angles P-C4'-P energy: -22.774
tors. eta vs tors. theta energy: -41.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -462.092547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.092547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.092547 (E_RNA)
where:
Base-Base interactions energy: -333.068
where: short stacking energy: -142.311
Base-Backbone interact. energy: -0.505
local terms energy: -138.519783
where:
bonds (distance) C4'-P energy: -25.597
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -29.320
flat angles P-C4'-P energy: -21.326
tors. eta vs tors. theta energy: -41.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -442.397752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.397752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.397752 (E_RNA)
where:
Base-Base interactions energy: -318.712
where: short stacking energy: -126.003
Base-Backbone interact. energy: -0.652
local terms energy: -133.034027
where:
bonds (distance) C4'-P energy: -20.861
bonds (distance) P-C4' energy: -27.591
flat angles C4'-P-C4' energy: -28.878
flat angles P-C4'-P energy: -19.255
tors. eta vs tors. theta energy: -36.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -439.821658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.821658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.821658 (E_RNA)
where:
Base-Base interactions energy: -312.591
where: short stacking energy: -130.742
Base-Backbone interact. energy: -0.028
local terms energy: -137.202512
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -30.617
flat angles C4'-P-C4' energy: -25.589
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -44.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -440.188485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.188485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.188485 (E_RNA)
where:
Base-Base interactions energy: -318.896
where: short stacking energy: -126.483
Base-Backbone interact. energy: -0.022
local terms energy: -131.270633
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -25.283
flat angles C4'-P-C4' energy: -27.210
flat angles P-C4'-P energy: -22.246
tors. eta vs tors. theta energy: -38.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -393.690404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.690404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.690404 (E_RNA)
where:
Base-Base interactions energy: -284.782
where: short stacking energy: -116.329
Base-Backbone interact. energy: -0.093
local terms energy: -118.815168
where:
bonds (distance) C4'-P energy: -24.837
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -21.329
flat angles P-C4'-P energy: -21.401
tors. eta vs tors. theta energy: -33.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -233.399833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.399833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.399833 (E_RNA)
where:
Base-Base interactions energy: -151.017
where: short stacking energy: -76.525
Base-Backbone interact. energy: -0.564
local terms energy: -91.818257
where:
bonds (distance) C4'-P energy: -20.686
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -23.800
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -494.523469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.523469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.523469 (E_RNA)
where:
Base-Base interactions energy: -352.612
where: short stacking energy: -146.643
Base-Backbone interact. energy: -0.095
local terms energy: -151.816324
where:
bonds (distance) C4'-P energy: -23.258
bonds (distance) P-C4' energy: -26.707
flat angles C4'-P-C4' energy: -33.483
flat angles P-C4'-P energy: -23.984
tors. eta vs tors. theta energy: -44.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -488.279475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.279475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.279475 (E_RNA)
where:
Base-Base interactions energy: -349.404
where: short stacking energy: -152.725
Base-Backbone interact. energy: -0.009
local terms energy: -148.866158
where:
bonds (distance) C4'-P energy: -27.377
bonds (distance) P-C4' energy: -20.062
flat angles C4'-P-C4' energy: -32.228
flat angles P-C4'-P energy: -22.676
tors. eta vs tors. theta energy: -46.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -484.291686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.291686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.291686 (E_RNA)
where:
Base-Base interactions energy: -337.764
where: short stacking energy: -151.222
Base-Backbone interact. energy: -0.338
local terms energy: -156.190023
where:
bonds (distance) C4'-P energy: -24.306
bonds (distance) P-C4' energy: -30.055
flat angles C4'-P-C4' energy: -33.595
flat angles P-C4'-P energy: -22.886
tors. eta vs tors. theta energy: -45.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -462.693271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.693271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.693271 (E_RNA)
where:
Base-Base interactions energy: -327.869
where: short stacking energy: -135.362
Base-Backbone interact. energy: -0.664
local terms energy: -144.159896
where:
bonds (distance) C4'-P energy: -24.350
bonds (distance) P-C4' energy: -30.545
flat angles C4'-P-C4' energy: -29.048
flat angles P-C4'-P energy: -20.558
tors. eta vs tors. theta energy: -39.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -476.841200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.841200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.841200 (E_RNA)
where:
Base-Base interactions energy: -340.148
where: short stacking energy: -128.662
Base-Backbone interact. energy: -0.351
local terms energy: -146.342574
where:
bonds (distance) C4'-P energy: -25.327
bonds (distance) P-C4' energy: -26.434
flat angles C4'-P-C4' energy: -32.719
flat angles P-C4'-P energy: -23.249
tors. eta vs tors. theta energy: -38.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -457.082536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.082536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.082536 (E_RNA)
where:
Base-Base interactions energy: -323.370
where: short stacking energy: -133.419
Base-Backbone interact. energy: 0.321
local terms energy: -144.033434
where:
bonds (distance) C4'-P energy: -24.059
bonds (distance) P-C4' energy: -25.731
flat angles C4'-P-C4' energy: -28.488
flat angles P-C4'-P energy: -23.202
tors. eta vs tors. theta energy: -42.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -441.989456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.989456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.989456 (E_RNA)
where:
Base-Base interactions energy: -326.399
where: short stacking energy: -136.108
Base-Backbone interact. energy: -0.200
local terms energy: -125.390198
where:
bonds (distance) C4'-P energy: -25.914
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -23.514
flat angles P-C4'-P energy: -18.235
tors. eta vs tors. theta energy: -38.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -422.910828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.910828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.910828 (E_RNA)
where:
Base-Base interactions energy: -294.580
where: short stacking energy: -121.844
Base-Backbone interact. energy: -0.021
local terms energy: -138.309252
where:
bonds (distance) C4'-P energy: -26.495
bonds (distance) P-C4' energy: -31.050
flat angles C4'-P-C4' energy: -26.204
flat angles P-C4'-P energy: -17.478
tors. eta vs tors. theta energy: -37.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -417.354292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.354292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.354292 (E_RNA)
where:
Base-Base interactions energy: -299.948
where: short stacking energy: -126.442
Base-Backbone interact. energy: -0.072
local terms energy: -127.334819
where:
bonds (distance) C4'-P energy: -24.279
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -24.746
flat angles P-C4'-P energy: -17.998
tors. eta vs tors. theta energy: -40.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -216.233665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.233665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.233665 (E_RNA)
where:
Base-Base interactions energy: -143.324
where: short stacking energy: -63.594
Base-Backbone interact. energy: 1.376
local terms energy: -84.285813
where:
bonds (distance) C4'-P energy: -20.863
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -16.976
tors. eta vs tors. theta energy: -7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -497.318580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.318580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.318580 (E_RNA)
where:
Base-Base interactions energy: -353.738
where: short stacking energy: -140.685
Base-Backbone interact. energy: -0.145
local terms energy: -153.435512
where:
bonds (distance) C4'-P energy: -28.850
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -30.638
flat angles P-C4'-P energy: -20.966
tors. eta vs tors. theta energy: -44.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -492.037554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.037554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.037554 (E_RNA)
where:
Base-Base interactions energy: -345.476
where: short stacking energy: -145.448
Base-Backbone interact. energy: -0.614
local terms energy: -155.947273
where:
bonds (distance) C4'-P energy: -27.715
bonds (distance) P-C4' energy: -30.144
flat angles C4'-P-C4' energy: -28.233
flat angles P-C4'-P energy: -23.314
tors. eta vs tors. theta energy: -46.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -489.766177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.766177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.766177 (E_RNA)
where:
Base-Base interactions energy: -341.381
where: short stacking energy: -150.156
Base-Backbone interact. energy: -0.491
local terms energy: -157.894008
where:
bonds (distance) C4'-P energy: -28.440
bonds (distance) P-C4' energy: -32.124
flat angles C4'-P-C4' energy: -28.730
flat angles P-C4'-P energy: -22.521
tors. eta vs tors. theta energy: -46.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -477.671980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.671980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.671980 (E_RNA)
where:
Base-Base interactions energy: -341.718
where: short stacking energy: -143.753
Base-Backbone interact. energy: -0.045
local terms energy: -145.909455
where:
bonds (distance) C4'-P energy: -26.023
bonds (distance) P-C4' energy: -25.943
flat angles C4'-P-C4' energy: -28.038
flat angles P-C4'-P energy: -21.862
tors. eta vs tors. theta energy: -44.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -455.429276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.429276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.429276 (E_RNA)
where:
Base-Base interactions energy: -338.886
where: short stacking energy: -134.618
Base-Backbone interact. energy: -0.553
local terms energy: -125.990083
where:
bonds (distance) C4'-P energy: -22.640
bonds (distance) P-C4' energy: -20.153
flat angles C4'-P-C4' energy: -26.192
flat angles P-C4'-P energy: -19.308
tors. eta vs tors. theta energy: -37.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -466.738780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.738780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.738780 (E_RNA)
where:
Base-Base interactions energy: -343.468
where: short stacking energy: -141.718
Base-Backbone interact. energy: -0.004
local terms energy: -133.266354
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -23.009
flat angles C4'-P-C4' energy: -26.227
flat angles P-C4'-P energy: -19.402
tors. eta vs tors. theta energy: -43.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -425.975833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.975833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.975833 (E_RNA)
where:
Base-Base interactions energy: -311.800
where: short stacking energy: -132.208
Base-Backbone interact. energy: 1.628
local terms energy: -125.803497
where:
bonds (distance) C4'-P energy: -22.456
bonds (distance) P-C4' energy: -29.520
flat angles C4'-P-C4' energy: -27.169
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -32.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -398.594833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.594833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.594833 (E_RNA)
where:
Base-Base interactions energy: -292.816
where: short stacking energy: -130.626
Base-Backbone interact. energy: -0.003
local terms energy: -115.776614
where:
bonds (distance) C4'-P energy: -13.333
bonds (distance) P-C4' energy: -27.351
flat angles C4'-P-C4' energy: -21.593
flat angles P-C4'-P energy: -17.878
tors. eta vs tors. theta energy: -35.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -381.215072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.215072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.215072 (E_RNA)
where:
Base-Base interactions energy: -275.995
where: short stacking energy: -106.587
Base-Backbone interact. energy: -0.340
local terms energy: -114.879882
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -28.536
flat angles C4'-P-C4' energy: -26.130
flat angles P-C4'-P energy: -9.929
tors. eta vs tors. theta energy: -30.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -199.654071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.654071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.654071 (E_RNA)
where:
Base-Base interactions energy: -120.203
where: short stacking energy: -62.919
Base-Backbone interact. energy: -0.469
local terms energy: -88.982744
where:
bonds (distance) C4'-P energy: -26.472
bonds (distance) P-C4' energy: -26.037
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -1.755
tors. eta vs tors. theta energy: -15.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -500.846047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.846047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.846047 (E_RNA)
where:
Base-Base interactions energy: -360.226
where: short stacking energy: -155.411
Base-Backbone interact. energy: -0.559
local terms energy: -150.061431
where:
bonds (distance) C4'-P energy: -23.307
bonds (distance) P-C4' energy: -29.664
flat angles C4'-P-C4' energy: -28.161
flat angles P-C4'-P energy: -23.308
tors. eta vs tors. theta energy: -45.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -503.892043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.892043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.892043 (E_RNA)
where:
Base-Base interactions energy: -352.783
where: short stacking energy: -149.251
Base-Backbone interact. energy: -0.329
local terms energy: -160.780133
where:
bonds (distance) C4'-P energy: -31.120
bonds (distance) P-C4' energy: -29.284
flat angles C4'-P-C4' energy: -31.295
flat angles P-C4'-P energy: -22.074
tors. eta vs tors. theta energy: -47.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -479.992554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.992554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.992554 (E_RNA)
where:
Base-Base interactions energy: -342.182
where: short stacking energy: -145.840
Base-Backbone interact. energy: -0.102
local terms energy: -147.708181
where:
bonds (distance) C4'-P energy: -26.778
bonds (distance) P-C4' energy: -30.140
flat angles C4'-P-C4' energy: -28.218
flat angles P-C4'-P energy: -17.398
tors. eta vs tors. theta energy: -45.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -476.528906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.528906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.528906 (E_RNA)
where:
Base-Base interactions energy: -343.551
where: short stacking energy: -139.701
Base-Backbone interact. energy: -0.004
local terms energy: -142.974471
where:
bonds (distance) C4'-P energy: -29.348
bonds (distance) P-C4' energy: -25.007
flat angles C4'-P-C4' energy: -28.349
flat angles P-C4'-P energy: -17.685
tors. eta vs tors. theta energy: -42.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -464.568247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.568247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.568247 (E_RNA)
where:
Base-Base interactions energy: -334.109
where: short stacking energy: -142.515
Base-Backbone interact. energy: -0.045
local terms energy: -140.413884
where:
bonds (distance) C4'-P energy: -28.622
bonds (distance) P-C4' energy: -21.372
flat angles C4'-P-C4' energy: -29.636
flat angles P-C4'-P energy: -17.149
tors. eta vs tors. theta energy: -43.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -450.760033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.760033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.760033 (E_RNA)
where:
Base-Base interactions energy: -337.704
where: short stacking energy: -151.549
Base-Backbone interact. energy: -0.107
local terms energy: -122.948699
where:
bonds (distance) C4'-P energy: -20.441
bonds (distance) P-C4' energy: -22.779
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -17.190
tors. eta vs tors. theta energy: -42.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -440.751175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.751175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.751175 (E_RNA)
where:
Base-Base interactions energy: -316.172
where: short stacking energy: -133.763
Base-Backbone interact. energy: -0.040
local terms energy: -134.539388
where:
bonds (distance) C4'-P energy: -22.710
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -31.340
flat angles P-C4'-P energy: -20.922
tors. eta vs tors. theta energy: -39.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -427.501829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.501829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.501829 (E_RNA)
where:
Base-Base interactions energy: -304.702
where: short stacking energy: -125.115
Base-Backbone interact. energy: -0.785
local terms energy: -132.015471
where:
bonds (distance) C4'-P energy: -24.941
bonds (distance) P-C4' energy: -25.603
flat angles C4'-P-C4' energy: -22.288
flat angles P-C4'-P energy: -19.167
tors. eta vs tors. theta energy: -40.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -433.247592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.247592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.247592 (E_RNA)
where:
Base-Base interactions energy: -317.729
where: short stacking energy: -133.528
Base-Backbone interact. energy: -0.614
local terms energy: -124.905050
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -25.392
flat angles P-C4'-P energy: -18.607
tors. eta vs tors. theta energy: -41.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -200.112674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.112674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.112674 (E_RNA)
where:
Base-Base interactions energy: -118.148
where: short stacking energy: -58.888
Base-Backbone interact. energy: -0.241
local terms energy: -91.723912
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -24.273
flat angles C4'-P-C4' energy: -24.634
flat angles P-C4'-P energy: -15.617
tors. eta vs tors. theta energy: -8.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -496.867177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.867177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.867177 (E_RNA)
where:
Base-Base interactions energy: -353.941
where: short stacking energy: -155.843
Base-Backbone interact. energy: -0.065
local terms energy: -152.860898
where:
bonds (distance) C4'-P energy: -29.511
bonds (distance) P-C4' energy: -23.855
flat angles C4'-P-C4' energy: -31.071
flat angles P-C4'-P energy: -22.709
tors. eta vs tors. theta energy: -45.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -482.855606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.855606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.855606 (E_RNA)
where:
Base-Base interactions energy: -356.040
where: short stacking energy: -150.128
Base-Backbone interact. energy: -0.010
local terms energy: -136.805762
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -27.826
flat angles C4'-P-C4' energy: -28.702
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -42.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -484.062165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.062165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.062165 (E_RNA)
where:
Base-Base interactions energy: -338.602
where: short stacking energy: -142.431
Base-Backbone interact. energy: -0.009
local terms energy: -155.451188
where:
bonds (distance) C4'-P energy: -30.385
bonds (distance) P-C4' energy: -26.656
flat angles C4'-P-C4' energy: -30.728
flat angles P-C4'-P energy: -22.296
tors. eta vs tors. theta energy: -45.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -478.715425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.715425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.715425 (E_RNA)
where:
Base-Base interactions energy: -347.709
where: short stacking energy: -148.586
Base-Backbone interact. energy: -1.189
local terms energy: -139.817133
where:
bonds (distance) C4'-P energy: -24.512
bonds (distance) P-C4' energy: -24.610
flat angles C4'-P-C4' energy: -28.361
flat angles P-C4'-P energy: -18.721
tors. eta vs tors. theta energy: -43.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -463.113159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.113159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.113159 (E_RNA)
where:
Base-Base interactions energy: -337.583
where: short stacking energy: -134.565
Base-Backbone interact. energy: 0.307
local terms energy: -135.836966
where:
bonds (distance) C4'-P energy: -26.514
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -28.854
flat angles P-C4'-P energy: -18.818
tors. eta vs tors. theta energy: -40.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -459.850586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.850586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.850586 (E_RNA)
where:
Base-Base interactions energy: -327.351
where: short stacking energy: -135.220
Base-Backbone interact. energy: -0.671
local terms energy: -141.827852
where:
bonds (distance) C4'-P energy: -20.900
bonds (distance) P-C4' energy: -25.437
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -42.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -442.834054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.834054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.834054 (E_RNA)
where:
Base-Base interactions energy: -321.131
where: short stacking energy: -137.312
Base-Backbone interact. energy: -0.017
local terms energy: -131.685940
where:
bonds (distance) C4'-P energy: -23.448
bonds (distance) P-C4' energy: -25.448
flat angles C4'-P-C4' energy: -23.066
flat angles P-C4'-P energy: -22.787
tors. eta vs tors. theta energy: -36.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -418.911846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.911846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.911846 (E_RNA)
where:
Base-Base interactions energy: -311.137
where: short stacking energy: -123.967
Base-Backbone interact. energy: -0.122
local terms energy: -117.652382
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -24.341
flat angles P-C4'-P energy: -18.572
tors. eta vs tors. theta energy: -36.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -442.694671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.694671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.694671 (E_RNA)
where:
Base-Base interactions energy: -316.275
where: short stacking energy: -128.845
Base-Backbone interact. energy: -0.116
local terms energy: -136.303543
where:
bonds (distance) C4'-P energy: -25.361
bonds (distance) P-C4' energy: -30.190
flat angles C4'-P-C4' energy: -26.044
flat angles P-C4'-P energy: -17.877
tors. eta vs tors. theta energy: -36.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -219.394972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.394972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.394972 (E_RNA)
where:
Base-Base interactions energy: -135.447
where: short stacking energy: -57.790
Base-Backbone interact. energy: -1.006
local terms energy: -92.941574
where:
bonds (distance) C4'-P energy: -21.295
bonds (distance) P-C4' energy: -22.943
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -18.913
tors. eta vs tors. theta energy: -10.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -497.520161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.520161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.520161 (E_RNA)
where:
Base-Base interactions energy: -353.310
where: short stacking energy: -150.205
Base-Backbone interact. energy: -0.257
local terms energy: -153.953375
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -27.869
flat angles C4'-P-C4' energy: -28.511
flat angles P-C4'-P energy: -24.805
tors. eta vs tors. theta energy: -44.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -490.461606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.461606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.461606 (E_RNA)
where:
Base-Base interactions energy: -350.579
where: short stacking energy: -150.871
Base-Backbone interact. energy: -0.688
local terms energy: -149.194564
where:
bonds (distance) C4'-P energy: -26.518
bonds (distance) P-C4' energy: -29.488
flat angles C4'-P-C4' energy: -29.269
flat angles P-C4'-P energy: -19.123
tors. eta vs tors. theta energy: -44.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -487.713248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.713248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.713248 (E_RNA)
where:
Base-Base interactions energy: -341.211
where: short stacking energy: -148.892
Base-Backbone interact. energy: -0.275
local terms energy: -156.227665
where:
bonds (distance) C4'-P energy: -25.475
bonds (distance) P-C4' energy: -28.937
flat angles C4'-P-C4' energy: -29.755
flat angles P-C4'-P energy: -25.368
tors. eta vs tors. theta energy: -46.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -465.050230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.050230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.050230 (E_RNA)
where:
Base-Base interactions energy: -325.195
where: short stacking energy: -143.538
Base-Backbone interact. energy: -0.120
local terms energy: -149.735105
where:
bonds (distance) C4'-P energy: -24.921
bonds (distance) P-C4' energy: -27.571
flat angles C4'-P-C4' energy: -31.219
flat angles P-C4'-P energy: -25.715
tors. eta vs tors. theta energy: -40.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -480.986496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.986496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.986496 (E_RNA)
where:
Base-Base interactions energy: -338.968
where: short stacking energy: -143.388
Base-Backbone interact. energy: -0.560
local terms energy: -151.458424
where:
bonds (distance) C4'-P energy: -28.129
bonds (distance) P-C4' energy: -26.824
flat angles C4'-P-C4' energy: -30.231
flat angles P-C4'-P energy: -22.069
tors. eta vs tors. theta energy: -44.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -455.862892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.862892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.862892 (E_RNA)
where:
Base-Base interactions energy: -327.113
where: short stacking energy: -127.044
Base-Backbone interact. energy: -0.610
local terms energy: -138.139365
where:
bonds (distance) C4'-P energy: -25.609
bonds (distance) P-C4' energy: -30.713
flat angles C4'-P-C4' energy: -28.242
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -38.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -448.141856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.141856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.141856 (E_RNA)
where:
Base-Base interactions energy: -326.747
where: short stacking energy: -140.937
Base-Backbone interact. energy: -0.864
local terms energy: -130.530536
where:
bonds (distance) C4'-P energy: -19.566
bonds (distance) P-C4' energy: -27.936
flat angles C4'-P-C4' energy: -24.582
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -39.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -437.303604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.303604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.303604 (E_RNA)
where:
Base-Base interactions energy: -317.785
where: short stacking energy: -142.004
Base-Backbone interact. energy: -0.049
local terms energy: -129.469851
where:
bonds (distance) C4'-P energy: -22.745
bonds (distance) P-C4' energy: -21.090
flat angles C4'-P-C4' energy: -27.009
flat angles P-C4'-P energy: -18.160
tors. eta vs tors. theta energy: -40.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -421.694864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.694864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.694864 (E_RNA)
where:
Base-Base interactions energy: -319.895
where: short stacking energy: -131.546
Base-Backbone interact. energy: -0.145
local terms energy: -111.655019
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -24.674
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: -37.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -259.290469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.290469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.290469 (E_RNA)
where:
Base-Base interactions energy: -176.268
where: short stacking energy: -92.015
Base-Backbone interact. energy: -0.658
local terms energy: -92.363886
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -23.428
flat angles C4'-P-C4' energy: -20.602
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: -19.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -497.741586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.741586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.741586 (E_RNA)
where:
Base-Base interactions energy: -354.038
where: short stacking energy: -148.180
Base-Backbone interact. energy: -0.255
local terms energy: -153.448491
where:
bonds (distance) C4'-P energy: -29.231
bonds (distance) P-C4' energy: -25.779
flat angles C4'-P-C4' energy: -29.183
flat angles P-C4'-P energy: -21.153
tors. eta vs tors. theta energy: -48.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -490.593703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.593703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.593703 (E_RNA)
where:
Base-Base interactions energy: -350.151
where: short stacking energy: -142.135
Base-Backbone interact. energy: -0.253
local terms energy: -150.190205
where:
bonds (distance) C4'-P energy: -27.325
bonds (distance) P-C4' energy: -27.152
flat angles C4'-P-C4' energy: -30.210
flat angles P-C4'-P energy: -24.265
tors. eta vs tors. theta energy: -41.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -484.092846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.092846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.092846 (E_RNA)
where:
Base-Base interactions energy: -351.949
where: short stacking energy: -148.541
Base-Backbone interact. energy: -0.044
local terms energy: -142.099756
where:
bonds (distance) C4'-P energy: -28.068
bonds (distance) P-C4' energy: -22.407
flat angles C4'-P-C4' energy: -31.073
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -45.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -464.281080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.281080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.281080 (E_RNA)
where:
Base-Base interactions energy: -333.869
where: short stacking energy: -137.859
Base-Backbone interact. energy: -0.002
local terms energy: -140.410227
where:
bonds (distance) C4'-P energy: -21.563
bonds (distance) P-C4' energy: -24.765
flat angles C4'-P-C4' energy: -29.374
flat angles P-C4'-P energy: -21.338
tors. eta vs tors. theta energy: -43.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -464.049735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.049735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.049735 (E_RNA)
where:
Base-Base interactions energy: -339.123
where: short stacking energy: -145.995
Base-Backbone interact. energy: -0.361
local terms energy: -134.566362
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -29.410
flat angles C4'-P-C4' energy: -24.982
flat angles P-C4'-P energy: -19.728
tors. eta vs tors. theta energy: -42.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -437.661096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.661096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.661096 (E_RNA)
where:
Base-Base interactions energy: -309.333
where: short stacking energy: -136.761
Base-Backbone interact. energy: -0.165
local terms energy: -138.163077
where:
bonds (distance) C4'-P energy: -24.109
bonds (distance) P-C4' energy: -24.903
flat angles C4'-P-C4' energy: -30.180
flat angles P-C4'-P energy: -17.778
tors. eta vs tors. theta energy: -41.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -456.295620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.295620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.295620 (E_RNA)
where:
Base-Base interactions energy: -321.263
where: short stacking energy: -136.517
Base-Backbone interact. energy: -0.161
local terms energy: -144.872314
where:
bonds (distance) C4'-P energy: -27.637
bonds (distance) P-C4' energy: -24.383
flat angles C4'-P-C4' energy: -29.505
flat angles P-C4'-P energy: -21.785
tors. eta vs tors. theta energy: -41.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -430.901663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.901663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.901663 (E_RNA)
where:
Base-Base interactions energy: -310.637
where: short stacking energy: -122.856
Base-Backbone interact. energy: 0.360
local terms energy: -130.624338
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -26.819
flat angles C4'-P-C4' energy: -28.246
flat angles P-C4'-P energy: -15.236
tors. eta vs tors. theta energy: -36.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -412.641993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.641993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.641993 (E_RNA)
where:
Base-Base interactions energy: -298.980
where: short stacking energy: -125.668
Base-Backbone interact. energy: -0.436
local terms energy: -123.225751
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -23.605
flat angles C4'-P-C4' energy: -26.021
flat angles P-C4'-P energy: -16.920
tors. eta vs tors. theta energy: -40.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -260.312810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.312810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.312810 (E_RNA)
where:
Base-Base interactions energy: -173.640
where: short stacking energy: -75.142
Base-Backbone interact. energy: -0.809
local terms energy: -95.863874
where:
bonds (distance) C4'-P energy: -19.263
bonds (distance) P-C4' energy: -28.200
flat angles C4'-P-C4' energy: -19.001
flat angles P-C4'-P energy: -19.464
tors. eta vs tors. theta energy: -9.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -496.273879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.273879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.273879 (E_RNA)
where:
Base-Base interactions energy: -349.110
where: short stacking energy: -145.111
Base-Backbone interact. energy: -0.022
local terms energy: -157.142661
where:
bonds (distance) C4'-P energy: -28.923
bonds (distance) P-C4' energy: -31.280
flat angles C4'-P-C4' energy: -29.524
flat angles P-C4'-P energy: -23.186
tors. eta vs tors. theta energy: -44.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -490.261298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.261298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.261298 (E_RNA)
where:
Base-Base interactions energy: -343.496
where: short stacking energy: -148.501
Base-Backbone interact. energy: -0.142
local terms energy: -156.623204
where:
bonds (distance) C4'-P energy: -27.322
bonds (distance) P-C4' energy: -24.674
flat angles C4'-P-C4' energy: -34.514
flat angles P-C4'-P energy: -22.726
tors. eta vs tors. theta energy: -47.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -479.281990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.281990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.281990 (E_RNA)
where:
Base-Base interactions energy: -338.963
where: short stacking energy: -138.417
Base-Backbone interact. energy: -0.313
local terms energy: -150.006234
where:
bonds (distance) C4'-P energy: -25.174
bonds (distance) P-C4' energy: -26.105
flat angles C4'-P-C4' energy: -30.137
flat angles P-C4'-P energy: -25.854
tors. eta vs tors. theta energy: -42.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -478.903937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.903937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.903937 (E_RNA)
where:
Base-Base interactions energy: -346.017
where: short stacking energy: -145.675
Base-Backbone interact. energy: -0.272
local terms energy: -142.615591
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -30.013
flat angles C4'-P-C4' energy: -31.323
flat angles P-C4'-P energy: -23.705
tors. eta vs tors. theta energy: -42.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -459.434952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.434952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.434952 (E_RNA)
where:
Base-Base interactions energy: -338.143
where: short stacking energy: -129.313
Base-Backbone interact. energy: -0.147
local terms energy: -131.145650
where:
bonds (distance) C4'-P energy: -26.207
bonds (distance) P-C4' energy: -22.374
flat angles C4'-P-C4' energy: -23.522
flat angles P-C4'-P energy: -21.570
tors. eta vs tors. theta energy: -37.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -441.470935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.470935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.470935 (E_RNA)
where:
Base-Base interactions energy: -320.123
where: short stacking energy: -135.603
Base-Backbone interact. energy: -0.269
local terms energy: -131.079157
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -26.781
flat angles C4'-P-C4' energy: -30.289
flat angles P-C4'-P energy: -19.086
tors. eta vs tors. theta energy: -37.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -440.898436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.898436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.898436 (E_RNA)
where:
Base-Base interactions energy: -317.043
where: short stacking energy: -143.550
Base-Backbone interact. energy: -0.002
local terms energy: -133.853645
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -25.977
flat angles C4'-P-C4' energy: -28.240
flat angles P-C4'-P energy: -22.993
tors. eta vs tors. theta energy: -42.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -423.399452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.399452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.399452 (E_RNA)
where:
Base-Base interactions energy: -302.460
where: short stacking energy: -125.580
Base-Backbone interact. energy: -0.137
local terms energy: -130.802414
where:
bonds (distance) C4'-P energy: -27.361
bonds (distance) P-C4' energy: -26.354
flat angles C4'-P-C4' energy: -24.554
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -38.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -409.575279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.575279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.575279 (E_RNA)
where:
Base-Base interactions energy: -297.354
where: short stacking energy: -119.662
Base-Backbone interact. energy: -0.880
local terms energy: -121.340804
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -26.212
flat angles C4'-P-C4' energy: -22.743
flat angles P-C4'-P energy: -16.484
tors. eta vs tors. theta energy: -38.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -275.074412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.074412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.074412 (E_RNA)
where:
Base-Base interactions energy: -179.698
where: short stacking energy: -72.673
Base-Backbone interact. energy: -0.846
local terms energy: -104.530438
where:
bonds (distance) C4'-P energy: -26.138
bonds (distance) P-C4' energy: -28.240
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -17.174
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -497.244051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.244051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.244051 (E_RNA)
where:
Base-Base interactions energy: -351.555
where: short stacking energy: -152.984
Base-Backbone interact. energy: -0.245
local terms energy: -155.444332
where:
bonds (distance) C4'-P energy: -26.486
bonds (distance) P-C4' energy: -29.214
flat angles C4'-P-C4' energy: -32.745
flat angles P-C4'-P energy: -19.380
tors. eta vs tors. theta energy: -47.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -494.481166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.481166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.481166 (E_RNA)
where:
Base-Base interactions energy: -349.819
where: short stacking energy: -147.327
Base-Backbone interact. energy: -0.871
local terms energy: -153.791186
where:
bonds (distance) C4'-P energy: -27.923
bonds (distance) P-C4' energy: -27.574
flat angles C4'-P-C4' energy: -29.809
flat angles P-C4'-P energy: -21.427
tors. eta vs tors. theta energy: -47.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -491.928747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.928747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.928747 (E_RNA)
where:
Base-Base interactions energy: -350.078
where: short stacking energy: -143.378
Base-Backbone interact. energy: -0.113
local terms energy: -151.737885
where:
bonds (distance) C4'-P energy: -26.176
bonds (distance) P-C4' energy: -27.335
flat angles C4'-P-C4' energy: -34.102
flat angles P-C4'-P energy: -20.040
tors. eta vs tors. theta energy: -44.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -464.350488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.350488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.350488 (E_RNA)
where:
Base-Base interactions energy: -348.006
where: short stacking energy: -140.249
Base-Backbone interact. energy: 1.569
local terms energy: -127.914447
where:
bonds (distance) C4'-P energy: -24.485
bonds (distance) P-C4' energy: -21.721
flat angles C4'-P-C4' energy: -22.910
flat angles P-C4'-P energy: -19.095
tors. eta vs tors. theta energy: -39.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -464.311377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.311377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.311377 (E_RNA)
where:
Base-Base interactions energy: -335.778
where: short stacking energy: -140.888
Base-Backbone interact. energy: -0.023
local terms energy: -138.510738
where:
bonds (distance) C4'-P energy: -20.034
bonds (distance) P-C4' energy: -27.392
flat angles C4'-P-C4' energy: -25.175
flat angles P-C4'-P energy: -21.893
tors. eta vs tors. theta energy: -44.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -454.818698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.818698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.818698 (E_RNA)
where:
Base-Base interactions energy: -335.977
where: short stacking energy: -133.556
Base-Backbone interact. energy: -0.378
local terms energy: -128.463817
where:
bonds (distance) C4'-P energy: -23.697
bonds (distance) P-C4' energy: -18.473
flat angles C4'-P-C4' energy: -25.356
flat angles P-C4'-P energy: -17.713
tors. eta vs tors. theta energy: -43.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -451.131985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.131985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.131985 (E_RNA)
where:
Base-Base interactions energy: -320.652
where: short stacking energy: -128.920
Base-Backbone interact. energy: -0.010
local terms energy: -140.470803
where:
bonds (distance) C4'-P energy: -21.905
bonds (distance) P-C4' energy: -27.352
flat angles C4'-P-C4' energy: -29.590
flat angles P-C4'-P energy: -18.027
tors. eta vs tors. theta energy: -43.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -425.047113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.047113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.047113 (E_RNA)
where:
Base-Base interactions energy: -300.300
where: short stacking energy: -121.172
Base-Backbone interact. energy: -0.192
local terms energy: -134.554902
where:
bonds (distance) C4'-P energy: -29.640
bonds (distance) P-C4' energy: -25.833
flat angles C4'-P-C4' energy: -30.184
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -33.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -406.223723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.223723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.223723 (E_RNA)
where:
Base-Base interactions energy: -299.802
where: short stacking energy: -120.592
Base-Backbone interact. energy: -0.156
local terms energy: -116.266261
where:
bonds (distance) C4'-P energy: -17.739
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -26.790
flat angles P-C4'-P energy: -18.427
tors. eta vs tors. theta energy: -36.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -260.350112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.350112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.350112 (E_RNA)
where:
Base-Base interactions energy: -159.849
where: short stacking energy: -68.157
Base-Backbone interact. energy: -0.526
local terms energy: -109.974708
where:
bonds (distance) C4'-P energy: -23.373
bonds (distance) P-C4' energy: -26.008
flat angles C4'-P-C4' energy: -26.607
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -20.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -494.732573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.732573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.732573 (E_RNA)
where:
Base-Base interactions energy: -349.540
where: short stacking energy: -147.269
Base-Backbone interact. energy: -0.240
local terms energy: -154.953159
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -28.417
flat angles C4'-P-C4' energy: -28.189
flat angles P-C4'-P energy: -27.208
tors. eta vs tors. theta energy: -45.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -501.901520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.901520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.901520 (E_RNA)
where:
Base-Base interactions energy: -368.005
where: short stacking energy: -151.532
Base-Backbone interact. energy: -0.246
local terms energy: -143.650341
where:
bonds (distance) C4'-P energy: -25.430
bonds (distance) P-C4' energy: -25.105
flat angles C4'-P-C4' energy: -28.106
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -47.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -481.138426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.138426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.138426 (E_RNA)
where:
Base-Base interactions energy: -345.794
where: short stacking energy: -135.979
Base-Backbone interact. energy: -0.988
local terms energy: -144.355991
where:
bonds (distance) C4'-P energy: -25.471
bonds (distance) P-C4' energy: -28.366
flat angles C4'-P-C4' energy: -23.901
flat angles P-C4'-P energy: -23.985
tors. eta vs tors. theta energy: -42.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -485.011202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.011202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.011202 (E_RNA)
where:
Base-Base interactions energy: -352.653
where: short stacking energy: -140.758
Base-Backbone interact. energy: -0.132
local terms energy: -142.225986
where:
bonds (distance) C4'-P energy: -28.337
bonds (distance) P-C4' energy: -24.209
flat angles C4'-P-C4' energy: -26.677
flat angles P-C4'-P energy: -17.335
tors. eta vs tors. theta energy: -45.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -459.102966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.102966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.102966 (E_RNA)
where:
Base-Base interactions energy: -329.481
where: short stacking energy: -135.424
Base-Backbone interact. energy: -0.015
local terms energy: -139.607292
where:
bonds (distance) C4'-P energy: -26.512
bonds (distance) P-C4' energy: -23.129
flat angles C4'-P-C4' energy: -24.520
flat angles P-C4'-P energy: -20.130
tors. eta vs tors. theta energy: -45.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -459.788669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.788669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.788669 (E_RNA)
where:
Base-Base interactions energy: -337.102
where: short stacking energy: -149.787
Base-Backbone interact. energy: -0.004
local terms energy: -132.682048
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -21.846
flat angles C4'-P-C4' energy: -27.731
flat angles P-C4'-P energy: -19.187
tors. eta vs tors. theta energy: -44.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -436.870512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.870512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.870512 (E_RNA)
where:
Base-Base interactions energy: -319.364
where: short stacking energy: -137.774
Base-Backbone interact. energy: -0.836
local terms energy: -126.670295
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -21.784
flat angles C4'-P-C4' energy: -30.248
flat angles P-C4'-P energy: -17.930
tors. eta vs tors. theta energy: -38.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -439.185958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.185958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.185958 (E_RNA)
where:
Base-Base interactions energy: -315.543
where: short stacking energy: -131.037
Base-Backbone interact. energy: -0.625
local terms energy: -133.018348
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -24.245
flat angles C4'-P-C4' energy: -24.466
flat angles P-C4'-P energy: -22.998
tors. eta vs tors. theta energy: -42.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -414.923733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.923733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.923733 (E_RNA)
where:
Base-Base interactions energy: -310.105
where: short stacking energy: -137.220
Base-Backbone interact. energy: -0.094
local terms energy: -114.724158
where:
bonds (distance) C4'-P energy: -23.617
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -25.882
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: -37.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -245.329196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.329196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.329196 (E_RNA)
where:
Base-Base interactions energy: -156.795
where: short stacking energy: -74.956
Base-Backbone interact. energy: 0.117
local terms energy: -98.651380
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -29.704
flat angles C4'-P-C4' energy: -24.801
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -12.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -502.863337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.863337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.863337 (E_RNA)
where:
Base-Base interactions energy: -362.645
where: short stacking energy: -152.408
Base-Backbone interact. energy: -0.888
local terms energy: -149.329973
where:
bonds (distance) C4'-P energy: -22.391
bonds (distance) P-C4' energy: -27.861
flat angles C4'-P-C4' energy: -30.563
flat angles P-C4'-P energy: -25.905
tors. eta vs tors. theta energy: -42.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -496.787055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.787055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.787055 (E_RNA)
where:
Base-Base interactions energy: -354.781
where: short stacking energy: -151.376
Base-Backbone interact. energy: -0.001
local terms energy: -152.004882
where:
bonds (distance) C4'-P energy: -26.623
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -31.756
flat angles P-C4'-P energy: -22.884
tors. eta vs tors. theta energy: -47.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -486.745534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.745534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.745534 (E_RNA)
where:
Base-Base interactions energy: -350.630
where: short stacking energy: -135.970
Base-Backbone interact. energy: -0.409
local terms energy: -145.705959
where:
bonds (distance) C4'-P energy: -21.240
bonds (distance) P-C4' energy: -28.073
flat angles C4'-P-C4' energy: -33.058
flat angles P-C4'-P energy: -21.525
tors. eta vs tors. theta energy: -41.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -465.784352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.784352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.784352 (E_RNA)
where:
Base-Base interactions energy: -333.573
where: short stacking energy: -135.045
Base-Backbone interact. energy: -0.079
local terms energy: -142.131549
where:
bonds (distance) C4'-P energy: -27.980
bonds (distance) P-C4' energy: -23.406
flat angles C4'-P-C4' energy: -28.107
flat angles P-C4'-P energy: -20.607
tors. eta vs tors. theta energy: -42.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -462.206769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.206769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.206769 (E_RNA)
where:
Base-Base interactions energy: -328.053
where: short stacking energy: -143.076
Base-Backbone interact. energy: -0.264
local terms energy: -143.889842
where:
bonds (distance) C4'-P energy: -24.862
bonds (distance) P-C4' energy: -24.499
flat angles C4'-P-C4' energy: -26.992
flat angles P-C4'-P energy: -22.907
tors. eta vs tors. theta energy: -44.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -449.031051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.031051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.031051 (E_RNA)
where:
Base-Base interactions energy: -325.849
where: short stacking energy: -131.198
Base-Backbone interact. energy: -0.157
local terms energy: -133.025210
where:
bonds (distance) C4'-P energy: -23.512
bonds (distance) P-C4' energy: -24.856
flat angles C4'-P-C4' energy: -29.919
flat angles P-C4'-P energy: -17.581
tors. eta vs tors. theta energy: -37.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -440.617698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.617698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.617698 (E_RNA)
where:
Base-Base interactions energy: -311.260
where: short stacking energy: -129.777
Base-Backbone interact. energy: -0.845
local terms energy: -138.512563
where:
bonds (distance) C4'-P energy: -23.858
bonds (distance) P-C4' energy: -29.364
flat angles C4'-P-C4' energy: -25.486
flat angles P-C4'-P energy: -17.271
tors. eta vs tors. theta energy: -42.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -431.935683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.935683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.935683 (E_RNA)
where:
Base-Base interactions energy: -317.241
where: short stacking energy: -136.986
Base-Backbone interact. energy: 1.251
local terms energy: -125.945630
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -27.438
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -20.311
tors. eta vs tors. theta energy: -42.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -398.336833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.336833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.336833 (E_RNA)
where:
Base-Base interactions energy: -282.497
where: short stacking energy: -110.921
Base-Backbone interact. energy: -0.328
local terms energy: -125.511649
where:
bonds (distance) C4'-P energy: -19.647
bonds (distance) P-C4' energy: -26.310
flat angles C4'-P-C4' energy: -20.175
flat angles P-C4'-P energy: -24.370
tors. eta vs tors. theta energy: -35.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -236.080563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.080563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.080563 (E_RNA)
where:
Base-Base interactions energy: -151.898
where: short stacking energy: -72.312
Base-Backbone interact. energy: -0.618
local terms energy: -93.563702
where:
bonds (distance) C4'-P energy: -22.085
bonds (distance) P-C4' energy: -20.059
flat angles C4'-P-C4' energy: -22.457
flat angles P-C4'-P energy: -13.562
tors. eta vs tors. theta energy: -15.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -504.306793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.306793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.306793 (E_RNA)
where:
Base-Base interactions energy: -351.964
where: short stacking energy: -147.610
Base-Backbone interact. energy: -0.490
local terms energy: -161.852259
where:
bonds (distance) C4'-P energy: -32.518
bonds (distance) P-C4' energy: -31.727
flat angles C4'-P-C4' energy: -32.396
flat angles P-C4'-P energy: -18.652
tors. eta vs tors. theta energy: -46.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -491.749771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.749771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.749771 (E_RNA)
where:
Base-Base interactions energy: -350.983
where: short stacking energy: -157.686
Base-Backbone interact. energy: -0.006
local terms energy: -150.760348
where:
bonds (distance) C4'-P energy: -27.046
bonds (distance) P-C4' energy: -30.241
flat angles C4'-P-C4' energy: -30.319
flat angles P-C4'-P energy: -20.339
tors. eta vs tors. theta energy: -42.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -481.633017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.633017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.633017 (E_RNA)
where:
Base-Base interactions energy: -340.231
where: short stacking energy: -142.740
Base-Backbone interact. energy: -0.690
local terms energy: -150.712319
where:
bonds (distance) C4'-P energy: -25.575
bonds (distance) P-C4' energy: -26.189
flat angles C4'-P-C4' energy: -32.304
flat angles P-C4'-P energy: -24.407
tors. eta vs tors. theta energy: -42.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -480.009407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.009407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.009407 (E_RNA)
where:
Base-Base interactions energy: -339.525
where: short stacking energy: -139.336
Base-Backbone interact. energy: -0.199
local terms energy: -150.285644
where:
bonds (distance) C4'-P energy: -28.052
bonds (distance) P-C4' energy: -25.514
flat angles C4'-P-C4' energy: -33.677
flat angles P-C4'-P energy: -22.745
tors. eta vs tors. theta energy: -40.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -477.639040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.639040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.639040 (E_RNA)
where:
Base-Base interactions energy: -351.823
where: short stacking energy: -143.772
Base-Backbone interact. energy: -0.649
local terms energy: -135.167512
where:
bonds (distance) C4'-P energy: -20.165
bonds (distance) P-C4' energy: -26.708
flat angles C4'-P-C4' energy: -26.322
flat angles P-C4'-P energy: -23.908
tors. eta vs tors. theta energy: -38.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -453.784707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.784707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.784707 (E_RNA)
where:
Base-Base interactions energy: -339.039
where: short stacking energy: -131.690
Base-Backbone interact. energy: -0.065
local terms energy: -124.680319
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -22.821
flat angles C4'-P-C4' energy: -25.412
flat angles P-C4'-P energy: -22.295
tors. eta vs tors. theta energy: -37.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -436.785532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.785532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.785532 (E_RNA)
where:
Base-Base interactions energy: -309.902
where: short stacking energy: -126.798
Base-Backbone interact. energy: -0.808
local terms energy: -136.075381
where:
bonds (distance) C4'-P energy: -24.700
bonds (distance) P-C4' energy: -23.168
flat angles C4'-P-C4' energy: -27.627
flat angles P-C4'-P energy: -19.606
tors. eta vs tors. theta energy: -40.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -416.786353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.786353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.786353 (E_RNA)
where:
Base-Base interactions energy: -291.748
where: short stacking energy: -122.725
Base-Backbone interact. energy: -0.093
local terms energy: -134.945061
where:
bonds (distance) C4'-P energy: -23.090
bonds (distance) P-C4' energy: -26.286
flat angles C4'-P-C4' energy: -28.972
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -39.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -401.752299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.752299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.752299 (E_RNA)
where:
Base-Base interactions energy: -299.853
where: short stacking energy: -119.450
Base-Backbone interact. energy: -0.972
local terms energy: -110.926641
where:
bonds (distance) C4'-P energy: -21.427
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -23.636
flat angles P-C4'-P energy: -14.213
tors. eta vs tors. theta energy: -30.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -240.076832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.076832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.076832 (E_RNA)
where:
Base-Base interactions energy: -142.920
where: short stacking energy: -59.163
Base-Backbone interact. energy: -0.054
local terms energy: -107.102547
where:
bonds (distance) C4'-P energy: -22.625
bonds (distance) P-C4' energy: -26.511
flat angles C4'-P-C4' energy: -24.400
flat angles P-C4'-P energy: -21.716
tors. eta vs tors. theta energy: -11.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -484.414658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.414658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.414658 (E_RNA)
where:
Base-Base interactions energy: -346.468
where: short stacking energy: -144.023
Base-Backbone interact. energy: -0.157
local terms energy: -147.788866
where:
bonds (distance) C4'-P energy: -32.171
bonds (distance) P-C4' energy: -26.388
flat angles C4'-P-C4' energy: -29.265
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -40.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -468.631158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.631158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.631158 (E_RNA)
where:
Base-Base interactions energy: -341.482
where: short stacking energy: -149.440
Base-Backbone interact. energy: -0.013
local terms energy: -137.136128
where:
bonds (distance) C4'-P energy: -26.137
bonds (distance) P-C4' energy: -25.827
flat angles C4'-P-C4' energy: -27.672
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -40.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -478.178980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.178980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.178980 (E_RNA)
where:
Base-Base interactions energy: -339.308
where: short stacking energy: -148.333
Base-Backbone interact. energy: -0.336
local terms energy: -148.534644
where:
bonds (distance) C4'-P energy: -27.723
bonds (distance) P-C4' energy: -28.636
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -19.820
tors. eta vs tors. theta energy: -45.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -476.948897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.948897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.948897 (E_RNA)
where:
Base-Base interactions energy: -342.719
where: short stacking energy: -131.121
Base-Backbone interact. energy: -0.316
local terms energy: -143.914000
where:
bonds (distance) C4'-P energy: -24.196
bonds (distance) P-C4' energy: -27.665
flat angles C4'-P-C4' energy: -29.713
flat angles P-C4'-P energy: -20.614
tors. eta vs tors. theta energy: -41.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -474.830575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.830575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.830575 (E_RNA)
where:
Base-Base interactions energy: -336.388
where: short stacking energy: -140.184
Base-Backbone interact. energy: -0.003
local terms energy: -148.439875
where:
bonds (distance) C4'-P energy: -23.629
bonds (distance) P-C4' energy: -26.144
flat angles C4'-P-C4' energy: -29.543
flat angles P-C4'-P energy: -26.503
tors. eta vs tors. theta energy: -42.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -437.041055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.041055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.041055 (E_RNA)
where:
Base-Base interactions energy: -332.177
where: short stacking energy: -127.729
Base-Backbone interact. energy: -0.141
local terms energy: -114.723116
where:
bonds (distance) C4'-P energy: -21.972
bonds (distance) P-C4' energy: -22.679
flat angles C4'-P-C4' energy: -26.007
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -34.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -466.728131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.728131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.728131 (E_RNA)
where:
Base-Base interactions energy: -329.714
where: short stacking energy: -136.272
Base-Backbone interact. energy: -0.065
local terms energy: -146.948666
where:
bonds (distance) C4'-P energy: -27.177
bonds (distance) P-C4' energy: -28.060
flat angles C4'-P-C4' energy: -29.311
flat angles P-C4'-P energy: -22.162
tors. eta vs tors. theta energy: -40.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -427.008516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.008516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.008516 (E_RNA)
where:
Base-Base interactions energy: -306.896
where: short stacking energy: -128.616
Base-Backbone interact. energy: 0.163
local terms energy: -130.275472
where:
bonds (distance) C4'-P energy: -26.123
bonds (distance) P-C4' energy: -23.672
flat angles C4'-P-C4' energy: -30.144
flat angles P-C4'-P energy: -13.965
tors. eta vs tors. theta energy: -36.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -390.373979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.373979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.373979 (E_RNA)
where:
Base-Base interactions energy: -288.245
where: short stacking energy: -110.474
Base-Backbone interact. energy: 2.350
local terms energy: -114.479311
where:
bonds (distance) C4'-P energy: -27.491
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -23.203
flat angles P-C4'-P energy: -13.929
tors. eta vs tors. theta energy: -31.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -208.523706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.523706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.523706 (E_RNA)
where:
Base-Base interactions energy: -125.206
where: short stacking energy: -55.221
Base-Backbone interact. energy: -0.950
local terms energy: -92.367199
where:
bonds (distance) C4'-P energy: -30.103
bonds (distance) P-C4' energy: -25.904
flat angles C4'-P-C4' energy: -22.833
flat angles P-C4'-P energy: -14.844
tors. eta vs tors. theta energy: 1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -496.444945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.444945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.444945 (E_RNA)
where:
Base-Base interactions energy: -349.323
where: short stacking energy: -147.769
Base-Backbone interact. energy: -0.313
local terms energy: -156.809300
where:
bonds (distance) C4'-P energy: -25.562
bonds (distance) P-C4' energy: -29.660
flat angles C4'-P-C4' energy: -31.882
flat angles P-C4'-P energy: -24.078
tors. eta vs tors. theta energy: -45.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -495.775473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.775473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.775473 (E_RNA)
where:
Base-Base interactions energy: -350.838
where: short stacking energy: -144.120
Base-Backbone interact. energy: -1.235
local terms energy: -153.702165
where:
bonds (distance) C4'-P energy: -30.758
bonds (distance) P-C4' energy: -27.552
flat angles C4'-P-C4' energy: -29.116
flat angles P-C4'-P energy: -23.567
tors. eta vs tors. theta energy: -42.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -489.875053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.875053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.875053 (E_RNA)
where:
Base-Base interactions energy: -355.689
where: short stacking energy: -158.006
Base-Backbone interact. energy: -0.590
local terms energy: -143.596033
where:
bonds (distance) C4'-P energy: -22.454
bonds (distance) P-C4' energy: -25.340
flat angles C4'-P-C4' energy: -29.696
flat angles P-C4'-P energy: -21.735
tors. eta vs tors. theta energy: -44.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -469.691406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.691406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.691406 (E_RNA)
where:
Base-Base interactions energy: -338.864
where: short stacking energy: -140.069
Base-Backbone interact. energy: -0.054
local terms energy: -140.773183
where:
bonds (distance) C4'-P energy: -22.013
bonds (distance) P-C4' energy: -26.300
flat angles C4'-P-C4' energy: -27.150
flat angles P-C4'-P energy: -21.650
tors. eta vs tors. theta energy: -43.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -458.829956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.829956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.829956 (E_RNA)
where:
Base-Base interactions energy: -328.463
where: short stacking energy: -134.628
Base-Backbone interact. energy: -2.294
local terms energy: -138.073181
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -28.608
flat angles C4'-P-C4' energy: -33.094
flat angles P-C4'-P energy: -19.204
tors. eta vs tors. theta energy: -38.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -448.406928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.406928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.406928 (E_RNA)
where:
Base-Base interactions energy: -326.961
where: short stacking energy: -133.169
Base-Backbone interact. energy: -0.297
local terms energy: -131.149066
where:
bonds (distance) C4'-P energy: -23.290
bonds (distance) P-C4' energy: -24.562
flat angles C4'-P-C4' energy: -25.831
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -43.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -445.314731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.314731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.314731 (E_RNA)
where:
Base-Base interactions energy: -315.563
where: short stacking energy: -135.100
Base-Backbone interact. energy: -0.394
local terms energy: -139.357608
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -28.923
flat angles C4'-P-C4' energy: -26.247
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -39.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -431.115508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.115508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.115508 (E_RNA)
where:
Base-Base interactions energy: -308.282
where: short stacking energy: -134.106
Base-Backbone interact. energy: -0.312
local terms energy: -132.521533
where:
bonds (distance) C4'-P energy: -26.506
bonds (distance) P-C4' energy: -25.867
flat angles C4'-P-C4' energy: -26.741
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -37.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -299.423406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.423406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -309.423406 (E_RNA)
where:
Base-Base interactions energy: -197.260
where: short stacking energy: -88.779
Base-Backbone interact. energy: -0.348
local terms energy: -111.815812
where:
bonds (distance) C4'-P energy: -22.557
bonds (distance) P-C4' energy: -26.570
flat angles C4'-P-C4' energy: -25.230
flat angles P-C4'-P energy: -18.112
tors. eta vs tors. theta energy: -19.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -210.132511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.132511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.132511 (E_RNA)
where:
Base-Base interactions energy: -137.236
where: short stacking energy: -57.720
Base-Backbone interact. energy: -1.432
local terms energy: -81.464804
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -23.868
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -9.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -497.015858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.015858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.015858 (E_RNA)
where:
Base-Base interactions energy: -352.089
where: short stacking energy: -153.719
Base-Backbone interact. energy: -0.183
local terms energy: -154.743844
where:
bonds (distance) C4'-P energy: -26.045
bonds (distance) P-C4' energy: -30.805
flat angles C4'-P-C4' energy: -30.013
flat angles P-C4'-P energy: -21.537
tors. eta vs tors. theta energy: -46.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -482.767479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.767479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.767479 (E_RNA)
where:
Base-Base interactions energy: -336.558
where: short stacking energy: -143.811
Base-Backbone interact. energy: -0.359
local terms energy: -155.850800
where:
bonds (distance) C4'-P energy: -29.221
bonds (distance) P-C4' energy: -28.361
flat angles C4'-P-C4' energy: -30.581
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: -46.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -490.278366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.278366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.278366 (E_RNA)
where:
Base-Base interactions energy: -355.247
where: short stacking energy: -147.171
Base-Backbone interact. energy: -0.031
local terms energy: -145.000360
where:
bonds (distance) C4'-P energy: -23.104
bonds (distance) P-C4' energy: -29.906
flat angles C4'-P-C4' energy: -28.879
flat angles P-C4'-P energy: -18.547
tors. eta vs tors. theta energy: -44.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -485.797689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.797689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.797689 (E_RNA)
where:
Base-Base interactions energy: -356.823
where: short stacking energy: -152.041
Base-Backbone interact. energy: -0.134
local terms energy: -138.840722
where:
bonds (distance) C4'-P energy: -23.309
bonds (distance) P-C4' energy: -25.616
flat angles C4'-P-C4' energy: -32.335
flat angles P-C4'-P energy: -14.347
tors. eta vs tors. theta energy: -43.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -463.030882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.030882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.030882 (E_RNA)
where:
Base-Base interactions energy: -329.586
where: short stacking energy: -133.414
Base-Backbone interact. energy: -0.107
local terms energy: -143.337664
where:
bonds (distance) C4'-P energy: -24.210
bonds (distance) P-C4' energy: -23.227
flat angles C4'-P-C4' energy: -26.935
flat angles P-C4'-P energy: -24.130
tors. eta vs tors. theta energy: -44.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -461.391795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.391795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.391795 (E_RNA)
where:
Base-Base interactions energy: -322.188
where: short stacking energy: -142.459
Base-Backbone interact. energy: -1.368
local terms energy: -147.835435
where:
bonds (distance) C4'-P energy: -25.208
bonds (distance) P-C4' energy: -27.638
flat angles C4'-P-C4' energy: -29.544
flat angles P-C4'-P energy: -24.352
tors. eta vs tors. theta energy: -41.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -428.521102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.521102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.521102 (E_RNA)
where:
Base-Base interactions energy: -307.977
where: short stacking energy: -135.240
Base-Backbone interact. energy: -0.292
local terms energy: -130.252236
where:
bonds (distance) C4'-P energy: -24.361
bonds (distance) P-C4' energy: -22.217
flat angles C4'-P-C4' energy: -26.810
flat angles P-C4'-P energy: -16.341
tors. eta vs tors. theta energy: -40.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -424.586606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.586606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.586606 (E_RNA)
where:
Base-Base interactions energy: -300.215
where: short stacking energy: -125.593
Base-Backbone interact. energy: 0.494
local terms energy: -134.864899
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -23.964
flat angles C4'-P-C4' energy: -27.939
flat angles P-C4'-P energy: -22.565
tors. eta vs tors. theta energy: -39.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -314.060589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.060589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.060589 (E_RNA)
where:
Base-Base interactions energy: -215.044
where: short stacking energy: -88.587
Base-Backbone interact. energy: -0.662
local terms energy: -108.354773
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -30.845
flat angles C4'-P-C4' energy: -23.471
flat angles P-C4'-P energy: -16.164
tors. eta vs tors. theta energy: -18.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -212.880866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.880866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.880866 (E_RNA)
where:
Base-Base interactions energy: -133.310
where: short stacking energy: -62.139
Base-Backbone interact. energy: -0.686
local terms energy: -88.885263
where:
bonds (distance) C4'-P energy: -26.053
bonds (distance) P-C4' energy: -21.467
flat angles C4'-P-C4' energy: -23.079
flat angles P-C4'-P energy: -7.092
tors. eta vs tors. theta energy: -11.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -489.165134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.165134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.165134 (E_RNA)
where:
Base-Base interactions energy: -350.839
where: short stacking energy: -149.189
Base-Backbone interact. energy: 0.317
local terms energy: -148.643591
where:
bonds (distance) C4'-P energy: -25.213
bonds (distance) P-C4' energy: -26.874
flat angles C4'-P-C4' energy: -31.317
flat angles P-C4'-P energy: -20.566
tors. eta vs tors. theta energy: -44.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -492.198587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.198587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.198587 (E_RNA)
where:
Base-Base interactions energy: -350.489
where: short stacking energy: -145.455
Base-Backbone interact. energy: -0.170
local terms energy: -151.539293
where:
bonds (distance) C4'-P energy: -24.791
bonds (distance) P-C4' energy: -27.259
flat angles C4'-P-C4' energy: -34.263
flat angles P-C4'-P energy: -20.770
tors. eta vs tors. theta energy: -44.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -484.458798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.458798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.458798 (E_RNA)
where:
Base-Base interactions energy: -353.304
where: short stacking energy: -141.150
Base-Backbone interact. energy: -1.043
local terms energy: -140.111385
where:
bonds (distance) C4'-P energy: -22.566
bonds (distance) P-C4' energy: -21.517
flat angles C4'-P-C4' energy: -32.337
flat angles P-C4'-P energy: -18.542
tors. eta vs tors. theta energy: -45.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -476.087752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.087752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.087752 (E_RNA)
where:
Base-Base interactions energy: -340.649
where: short stacking energy: -139.154
Base-Backbone interact. energy: -0.079
local terms energy: -145.359599
where:
bonds (distance) C4'-P energy: -26.776
bonds (distance) P-C4' energy: -23.539
flat angles C4'-P-C4' energy: -29.616
flat angles P-C4'-P energy: -23.917
tors. eta vs tors. theta energy: -41.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -470.582101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.582101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.582101 (E_RNA)
where:
Base-Base interactions energy: -335.270
where: short stacking energy: -142.618
Base-Backbone interact. energy: -0.417
local terms energy: -144.895184
where:
bonds (distance) C4'-P energy: -22.449
bonds (distance) P-C4' energy: -32.248
flat angles C4'-P-C4' energy: -27.366
flat angles P-C4'-P energy: -20.172
tors. eta vs tors. theta energy: -42.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -474.219800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.219800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.219800 (E_RNA)
where:
Base-Base interactions energy: -341.893
where: short stacking energy: -140.418
Base-Backbone interact. energy: -0.243
local terms energy: -142.083765
where:
bonds (distance) C4'-P energy: -19.119
bonds (distance) P-C4' energy: -22.518
flat angles C4'-P-C4' energy: -32.782
flat angles P-C4'-P energy: -25.626
tors. eta vs tors. theta energy: -42.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -430.934939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.934939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.934939 (E_RNA)
where:
Base-Base interactions energy: -308.195
where: short stacking energy: -124.493
Base-Backbone interact. energy: -0.492
local terms energy: -132.247910
where:
bonds (distance) C4'-P energy: -20.494
bonds (distance) P-C4' energy: -19.646
flat angles C4'-P-C4' energy: -31.360
flat angles P-C4'-P energy: -19.562
tors. eta vs tors. theta energy: -41.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -429.242196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.242196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.242196 (E_RNA)
where:
Base-Base interactions energy: -301.424
where: short stacking energy: -133.936
Base-Backbone interact. energy: -0.389
local terms energy: -137.429140
where:
bonds (distance) C4'-P energy: -21.769
bonds (distance) P-C4' energy: -26.693
flat angles C4'-P-C4' energy: -27.189
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -44.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -319.292363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.292363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.292363 (E_RNA)
where:
Base-Base interactions energy: -220.622
where: short stacking energy: -92.570
Base-Backbone interact. energy: -1.403
local terms energy: -107.266984
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -26.411
flat angles C4'-P-C4' energy: -23.494
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -26.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -225.230917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.230917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.230917 (E_RNA)
where:
Base-Base interactions energy: -137.055
where: short stacking energy: -66.504
Base-Backbone interact. energy: -0.091
local terms energy: -98.084828
where:
bonds (distance) C4'-P energy: -22.892
bonds (distance) P-C4' energy: -28.393
flat angles C4'-P-C4' energy: -22.033
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -10.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -500.883216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.883216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.883216 (E_RNA)
where:
Base-Base interactions energy: -354.880
where: short stacking energy: -149.982
Base-Backbone interact. energy: -0.180
local terms energy: -155.822880
where:
bonds (distance) C4'-P energy: -26.742
bonds (distance) P-C4' energy: -22.762
flat angles C4'-P-C4' energy: -33.597
flat angles P-C4'-P energy: -26.126
tors. eta vs tors. theta energy: -46.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -494.907498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.907498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.907498 (E_RNA)
where:
Base-Base interactions energy: -354.587
where: short stacking energy: -161.699
Base-Backbone interact. energy: -0.002
local terms energy: -150.317798
where:
bonds (distance) C4'-P energy: -26.517
bonds (distance) P-C4' energy: -25.848
flat angles C4'-P-C4' energy: -34.272
flat angles P-C4'-P energy: -20.990
tors. eta vs tors. theta energy: -42.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -482.165183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.165183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.165183 (E_RNA)
where:
Base-Base interactions energy: -346.150
where: short stacking energy: -149.774
Base-Backbone interact. energy: -0.098
local terms energy: -145.917605
where:
bonds (distance) C4'-P energy: -21.723
bonds (distance) P-C4' energy: -22.920
flat angles C4'-P-C4' energy: -33.922
flat angles P-C4'-P energy: -21.922
tors. eta vs tors. theta energy: -45.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -473.189907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.189907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.189907 (E_RNA)
where:
Base-Base interactions energy: -339.506
where: short stacking energy: -146.554
Base-Backbone interact. energy: -0.354
local terms energy: -143.329853
where:
bonds (distance) C4'-P energy: -21.552
bonds (distance) P-C4' energy: -27.181
flat angles C4'-P-C4' energy: -27.781
flat angles P-C4'-P energy: -22.322
tors. eta vs tors. theta energy: -44.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -473.297127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.297127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.297127 (E_RNA)
where:
Base-Base interactions energy: -331.980
where: short stacking energy: -140.117
Base-Backbone interact. energy: -0.016
local terms energy: -151.301279
where:
bonds (distance) C4'-P energy: -25.532
bonds (distance) P-C4' energy: -30.569
flat angles C4'-P-C4' energy: -31.282
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -46.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -448.294350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.294350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.294350 (E_RNA)
where:
Base-Base interactions energy: -320.937
where: short stacking energy: -128.700
Base-Backbone interact. energy: -0.189
local terms energy: -137.167728
where:
bonds (distance) C4'-P energy: -25.769
bonds (distance) P-C4' energy: -19.818
flat angles C4'-P-C4' energy: -27.269
flat angles P-C4'-P energy: -24.010
tors. eta vs tors. theta energy: -40.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -415.927239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.927239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.927239 (E_RNA)
where:
Base-Base interactions energy: -296.535
where: short stacking energy: -117.762
Base-Backbone interact. energy: -0.951
local terms energy: -128.441443
where:
bonds (distance) C4'-P energy: -20.023
bonds (distance) P-C4' energy: -28.749
flat angles C4'-P-C4' energy: -27.506
flat angles P-C4'-P energy: -19.078
tors. eta vs tors. theta energy: -33.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -437.139164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.139164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.139164 (E_RNA)
where:
Base-Base interactions energy: -318.316
where: short stacking energy: -127.794
Base-Backbone interact. energy: 0.286
local terms energy: -129.108920
where:
bonds (distance) C4'-P energy: -25.380
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -26.187
flat angles P-C4'-P energy: -22.344
tors. eta vs tors. theta energy: -38.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -321.717608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.717608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.717608 (E_RNA)
where:
Base-Base interactions energy: -231.958
where: short stacking energy: -95.912
Base-Backbone interact. energy: -0.194
local terms energy: -99.565588
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -22.224
flat angles C4'-P-C4' energy: -22.862
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -22.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -224.602783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.602783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.602783 (E_RNA)
where:
Base-Base interactions energy: -146.003
where: short stacking energy: -59.470
Base-Backbone interact. energy: 0.640
local terms energy: -89.240056
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -22.517
flat angles C4'-P-C4' energy: -24.668
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -7.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -496.420236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.420236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.420236 (E_RNA)
where:
Base-Base interactions energy: -348.672
where: short stacking energy: -141.065
Base-Backbone interact. energy: -0.578
local terms energy: -157.169622
where:
bonds (distance) C4'-P energy: -27.571
bonds (distance) P-C4' energy: -27.289
flat angles C4'-P-C4' energy: -32.999
flat angles P-C4'-P energy: -26.126
tors. eta vs tors. theta energy: -43.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -485.828555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.828555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.828555 (E_RNA)
where:
Base-Base interactions energy: -346.767
where: short stacking energy: -148.407
Base-Backbone interact. energy: -0.213
local terms energy: -148.849115
where:
bonds (distance) C4'-P energy: -23.111
bonds (distance) P-C4' energy: -27.219
flat angles C4'-P-C4' energy: -30.584
flat angles P-C4'-P energy: -23.139
tors. eta vs tors. theta energy: -44.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -487.152242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.152242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.152242 (E_RNA)
where:
Base-Base interactions energy: -346.358
where: short stacking energy: -146.674
Base-Backbone interact. energy: -0.514
local terms energy: -150.280616
where:
bonds (distance) C4'-P energy: -23.545
bonds (distance) P-C4' energy: -25.349
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -23.559
tors. eta vs tors. theta energy: -46.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -483.255428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.255428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.255428 (E_RNA)
where:
Base-Base interactions energy: -342.672
where: short stacking energy: -140.806
Base-Backbone interact. energy: -0.141
local terms energy: -150.442469
where:
bonds (distance) C4'-P energy: -27.918
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -30.728
flat angles P-C4'-P energy: -26.213
tors. eta vs tors. theta energy: -46.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -452.158044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.158044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.158044 (E_RNA)
where:
Base-Base interactions energy: -324.615
where: short stacking energy: -140.262
Base-Backbone interact. energy: -0.240
local terms energy: -137.302543
where:
bonds (distance) C4'-P energy: -25.714
bonds (distance) P-C4' energy: -27.343
flat angles C4'-P-C4' energy: -29.663
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -39.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -479.192475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.192475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.192475 (E_RNA)
where:
Base-Base interactions energy: -347.977
where: short stacking energy: -140.300
Base-Backbone interact. energy: -0.206
local terms energy: -141.009294
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -26.309
flat angles C4'-P-C4' energy: -31.238
flat angles P-C4'-P energy: -20.372
tors. eta vs tors. theta energy: -43.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -436.885836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.885836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.885836 (E_RNA)
where:
Base-Base interactions energy: -319.733
where: short stacking energy: -133.357
Base-Backbone interact. energy: -0.302
local terms energy: -126.851277
where:
bonds (distance) C4'-P energy: -20.700
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -26.478
flat angles P-C4'-P energy: -18.684
tors. eta vs tors. theta energy: -42.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -407.786616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.786616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.786616 (E_RNA)
where:
Base-Base interactions energy: -299.588
where: short stacking energy: -117.979
Base-Backbone interact. energy: -0.134
local terms energy: -118.065184
where:
bonds (distance) C4'-P energy: -22.168
bonds (distance) P-C4' energy: -21.837
flat angles C4'-P-C4' energy: -23.631
flat angles P-C4'-P energy: -15.725
tors. eta vs tors. theta energy: -34.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -316.521833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -316.521833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.521833 (E_RNA)
where:
Base-Base interactions energy: -237.376
where: short stacking energy: -90.413
Base-Backbone interact. energy: 7.320
local terms energy: -96.466427
where:
bonds (distance) C4'-P energy: -19.654
bonds (distance) P-C4' energy: -24.095
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -24.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -212.400560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.400560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.400560 (E_RNA)
where:
Base-Base interactions energy: -131.489
where: short stacking energy: -63.259
Base-Backbone interact. energy: 0.300
local terms energy: -91.210974
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -22.801
flat angles C4'-P-C4' energy: -21.432
flat angles P-C4'-P energy: -16.076
tors. eta vs tors. theta energy: -13.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -507.839896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.839896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.839896 (E_RNA)
where:
Base-Base interactions energy: -353.934
where: short stacking energy: -149.733
Base-Backbone interact. energy: -0.307
local terms energy: -163.599256
where:
bonds (distance) C4'-P energy: -31.132
bonds (distance) P-C4' energy: -28.592
flat angles C4'-P-C4' energy: -32.372
flat angles P-C4'-P energy: -25.602
tors. eta vs tors. theta energy: -45.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -495.688875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.688875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.688875 (E_RNA)
where:
Base-Base interactions energy: -357.660
where: short stacking energy: -154.570
Base-Backbone interact. energy: -0.159
local terms energy: -147.869565
where:
bonds (distance) C4'-P energy: -22.229
bonds (distance) P-C4' energy: -20.117
flat angles C4'-P-C4' energy: -32.351
flat angles P-C4'-P energy: -25.005
tors. eta vs tors. theta energy: -48.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -489.387358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.387358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.387358 (E_RNA)
where:
Base-Base interactions energy: -349.296
where: short stacking energy: -145.891
Base-Backbone interact. energy: -0.110
local terms energy: -149.981834
where:
bonds (distance) C4'-P energy: -26.237
bonds (distance) P-C4' energy: -28.080
flat angles C4'-P-C4' energy: -30.229
flat angles P-C4'-P energy: -19.988
tors. eta vs tors. theta energy: -45.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -473.921901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.921901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.921901 (E_RNA)
where:
Base-Base interactions energy: -344.141
where: short stacking energy: -137.535
Base-Backbone interact. energy: 0.806
local terms energy: -140.586854
where:
bonds (distance) C4'-P energy: -26.341
bonds (distance) P-C4' energy: -22.597
flat angles C4'-P-C4' energy: -28.197
flat angles P-C4'-P energy: -21.285
tors. eta vs tors. theta energy: -42.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -466.846104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.846104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.846104 (E_RNA)
where:
Base-Base interactions energy: -335.411
where: short stacking energy: -138.574
Base-Backbone interact. energy: -0.669
local terms energy: -140.765323
where:
bonds (distance) C4'-P energy: -23.378
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -30.593
flat angles P-C4'-P energy: -17.961
tors. eta vs tors. theta energy: -45.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -449.356112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.356112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.356112 (E_RNA)
where:
Base-Base interactions energy: -307.916
where: short stacking energy: -129.229
Base-Backbone interact. energy: -0.054
local terms energy: -151.386542
where:
bonds (distance) C4'-P energy: -28.030
bonds (distance) P-C4' energy: -27.040
flat angles C4'-P-C4' energy: -28.948
flat angles P-C4'-P energy: -22.489
tors. eta vs tors. theta energy: -44.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -424.555829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.555829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.555829 (E_RNA)
where:
Base-Base interactions energy: -295.332
where: short stacking energy: -127.822
Base-Backbone interact. energy: 0.102
local terms energy: -139.325025
where:
bonds (distance) C4'-P energy: -22.725
bonds (distance) P-C4' energy: -22.399
flat angles C4'-P-C4' energy: -30.546
flat angles P-C4'-P energy: -20.922
tors. eta vs tors. theta energy: -42.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -413.259956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.259956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.259956 (E_RNA)
where:
Base-Base interactions energy: -287.907
where: short stacking energy: -115.841
Base-Backbone interact. energy: -0.225
local terms energy: -135.128164
where:
bonds (distance) C4'-P energy: -25.966
bonds (distance) P-C4' energy: -30.873
flat angles C4'-P-C4' energy: -26.768
flat angles P-C4'-P energy: -17.619
tors. eta vs tors. theta energy: -33.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -296.718918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.718918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.718918 (E_RNA)
where:
Base-Base interactions energy: -209.048
where: short stacking energy: -77.368
Base-Backbone interact. energy: 0.296
local terms energy: -97.967317
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -21.851
flat angles C4'-P-C4' energy: -20.656
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -17.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -251.882233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.882233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.882233 (E_RNA)
where:
Base-Base interactions energy: -172.182
where: short stacking energy: -73.665
Base-Backbone interact. energy: 1.609
local terms energy: -91.309699
where:
bonds (distance) C4'-P energy: -22.112
bonds (distance) P-C4' energy: -22.528
flat angles C4'-P-C4' energy: -20.773
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -11.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -498.445613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.445613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.445613 (E_RNA)
where:
Base-Base interactions energy: -358.606
where: short stacking energy: -147.104
Base-Backbone interact. energy: -0.912
local terms energy: -148.928103
where:
bonds (distance) C4'-P energy: -26.520
bonds (distance) P-C4' energy: -27.045
flat angles C4'-P-C4' energy: -25.819
flat angles P-C4'-P energy: -25.387
tors. eta vs tors. theta energy: -44.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -487.320057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.320057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.320057 (E_RNA)
where:
Base-Base interactions energy: -347.272
where: short stacking energy: -144.617
Base-Backbone interact. energy: 0.968
local terms energy: -151.016178
where:
bonds (distance) C4'-P energy: -25.720
bonds (distance) P-C4' energy: -23.213
flat angles C4'-P-C4' energy: -32.528
flat angles P-C4'-P energy: -25.112
tors. eta vs tors. theta energy: -44.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -478.037399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.037399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.037399 (E_RNA)
where:
Base-Base interactions energy: -355.625
where: short stacking energy: -138.947
Base-Backbone interact. energy: -0.655
local terms energy: -131.758140
where:
bonds (distance) C4'-P energy: -20.919
bonds (distance) P-C4' energy: -23.135
flat angles C4'-P-C4' energy: -22.870
flat angles P-C4'-P energy: -24.551
tors. eta vs tors. theta energy: -40.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -470.252740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.252740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.252740 (E_RNA)
where:
Base-Base interactions energy: -345.252
where: short stacking energy: -144.754
Base-Backbone interact. energy: -1.094
local terms energy: -133.906183
where:
bonds (distance) C4'-P energy: -22.904
bonds (distance) P-C4' energy: -22.089
flat angles C4'-P-C4' energy: -27.792
flat angles P-C4'-P energy: -19.981
tors. eta vs tors. theta energy: -41.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -464.804663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.804663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.804663 (E_RNA)
where:
Base-Base interactions energy: -336.740
where: short stacking energy: -133.992
Base-Backbone interact. energy: -0.985
local terms energy: -137.079082
where:
bonds (distance) C4'-P energy: -21.608
bonds (distance) P-C4' energy: -22.696
flat angles C4'-P-C4' energy: -27.690
flat angles P-C4'-P energy: -20.617
tors. eta vs tors. theta energy: -44.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -444.763673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.763673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.763673 (E_RNA)
where:
Base-Base interactions energy: -321.131
where: short stacking energy: -140.129
Base-Backbone interact. energy: -0.011
local terms energy: -133.621239
where:
bonds (distance) C4'-P energy: -24.996
bonds (distance) P-C4' energy: -24.141
flat angles C4'-P-C4' energy: -24.868
flat angles P-C4'-P energy: -18.710
tors. eta vs tors. theta energy: -40.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -446.643123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.643123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.643123 (E_RNA)
where:
Base-Base interactions energy: -320.462
where: short stacking energy: -135.464
Base-Backbone interact. energy: -0.257
local terms energy: -135.924046
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -32.033
flat angles P-C4'-P energy: -16.408
tors. eta vs tors. theta energy: -45.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -457.602820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.602820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.602820 (E_RNA)
where:
Base-Base interactions energy: -328.797
where: short stacking energy: -135.636
Base-Backbone interact. energy: -0.026
local terms energy: -138.779982
where:
bonds (distance) C4'-P energy: -22.679
bonds (distance) P-C4' energy: -26.774
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -24.325
tors. eta vs tors. theta energy: -40.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -244.794633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.794633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.794633 (E_RNA)
where:
Base-Base interactions energy: -151.755
where: short stacking energy: -73.479
Base-Backbone interact. energy: -0.379
local terms energy: -102.661376
where:
bonds (distance) C4'-P energy: -27.859
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -22.129
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -22.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -292.584346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.584346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.584346 (E_RNA)
where:
Base-Base interactions energy: -197.830
where: short stacking energy: -84.442
Base-Backbone interact. energy: 0.393
local terms energy: -105.146778
where:
bonds (distance) C4'-P energy: -26.085
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -28.830
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -495.218530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.218530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.218530 (E_RNA)
where:
Base-Base interactions energy: -352.792
where: short stacking energy: -147.747
Base-Backbone interact. energy: 0.678
local terms energy: -153.104987
where:
bonds (distance) C4'-P energy: -27.616
bonds (distance) P-C4' energy: -27.454
flat angles C4'-P-C4' energy: -28.609
flat angles P-C4'-P energy: -24.481
tors. eta vs tors. theta energy: -44.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -491.451376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.451376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.451376 (E_RNA)
where:
Base-Base interactions energy: -355.329
where: short stacking energy: -146.425
Base-Backbone interact. energy: -0.674
local terms energy: -145.448602
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -32.498
flat angles C4'-P-C4' energy: -31.949
flat angles P-C4'-P energy: -22.367
tors. eta vs tors. theta energy: -42.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -480.212196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.212196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.212196 (E_RNA)
where:
Base-Base interactions energy: -348.509
where: short stacking energy: -146.940
Base-Backbone interact. energy: -0.040
local terms energy: -141.663475
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -21.502
flat angles C4'-P-C4' energy: -30.033
flat angles P-C4'-P energy: -26.073
tors. eta vs tors. theta energy: -41.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -480.278110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.278110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.278110 (E_RNA)
where:
Base-Base interactions energy: -335.569
where: short stacking energy: -140.251
Base-Backbone interact. energy: -1.274
local terms energy: -153.435002
where:
bonds (distance) C4'-P energy: -25.639
bonds (distance) P-C4' energy: -26.053
flat angles C4'-P-C4' energy: -31.874
flat angles P-C4'-P energy: -25.356
tors. eta vs tors. theta energy: -44.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -464.683073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.683073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.683073 (E_RNA)
where:
Base-Base interactions energy: -331.706
where: short stacking energy: -141.542
Base-Backbone interact. energy: -0.444
local terms energy: -142.533162
where:
bonds (distance) C4'-P energy: -24.130
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -29.624
flat angles P-C4'-P energy: -20.797
tors. eta vs tors. theta energy: -45.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -446.813558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.813558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.813558 (E_RNA)
where:
Base-Base interactions energy: -322.678
where: short stacking energy: -131.256
Base-Backbone interact. energy: -0.465
local terms energy: -133.670161
where:
bonds (distance) C4'-P energy: -27.758
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -27.572
flat angles P-C4'-P energy: -19.066
tors. eta vs tors. theta energy: -39.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -436.880415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.880415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.880415 (E_RNA)
where:
Base-Base interactions energy: -314.500
where: short stacking energy: -137.939
Base-Backbone interact. energy: -0.110
local terms energy: -132.270381
where:
bonds (distance) C4'-P energy: -21.274
bonds (distance) P-C4' energy: -24.147
flat angles C4'-P-C4' energy: -30.467
flat angles P-C4'-P energy: -16.916
tors. eta vs tors. theta energy: -39.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -441.168158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.168158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.168158 (E_RNA)
where:
Base-Base interactions energy: -309.942
where: short stacking energy: -127.480
Base-Backbone interact. energy: -0.203
local terms energy: -141.022886
where:
bonds (distance) C4'-P energy: -23.822
bonds (distance) P-C4' energy: -27.366
flat angles C4'-P-C4' energy: -25.795
flat angles P-C4'-P energy: -23.319
tors. eta vs tors. theta energy: -40.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -226.119459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.119459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.119459 (E_RNA)
where:
Base-Base interactions energy: -164.209
where: short stacking energy: -68.872
Base-Backbone interact. energy: -0.310
local terms energy: -71.600182
where:
bonds (distance) C4'-P energy: -7.481
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -15.503
tors. eta vs tors. theta energy: -10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -280.369409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.369409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.369409 (E_RNA)
where:
Base-Base interactions energy: -188.905
where: short stacking energy: -77.498
Base-Backbone interact. energy: -1.090
local terms energy: -100.374062
where:
bonds (distance) C4'-P energy: -23.093
bonds (distance) P-C4' energy: -19.842
flat angles C4'-P-C4' energy: -26.901
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -490.633916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.633916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.633916 (E_RNA)
where:
Base-Base interactions energy: -348.932
where: short stacking energy: -146.755
Base-Backbone interact. energy: -0.100
local terms energy: -151.601865
where:
bonds (distance) C4'-P energy: -27.791
bonds (distance) P-C4' energy: -25.250
flat angles C4'-P-C4' energy: -30.585
flat angles P-C4'-P energy: -20.032
tors. eta vs tors. theta energy: -47.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -493.658042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.658042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.658042 (E_RNA)
where:
Base-Base interactions energy: -360.135
where: short stacking energy: -140.792
Base-Backbone interact. energy: -0.424
local terms energy: -143.098320
where:
bonds (distance) C4'-P energy: -25.515
bonds (distance) P-C4' energy: -25.500
flat angles C4'-P-C4' energy: -31.526
flat angles P-C4'-P energy: -20.536
tors. eta vs tors. theta energy: -40.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -484.922182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.922182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.922182 (E_RNA)
where:
Base-Base interactions energy: -356.342
where: short stacking energy: -135.847
Base-Backbone interact. energy: -0.476
local terms energy: -138.104246
where:
bonds (distance) C4'-P energy: -23.513
bonds (distance) P-C4' energy: -26.787
flat angles C4'-P-C4' energy: -27.955
flat angles P-C4'-P energy: -21.387
tors. eta vs tors. theta energy: -38.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -471.116429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.116429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.116429 (E_RNA)
where:
Base-Base interactions energy: -345.591
where: short stacking energy: -139.138
Base-Backbone interact. energy: -0.927
local terms energy: -134.598031
where:
bonds (distance) C4'-P energy: -20.314
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -28.189
flat angles P-C4'-P energy: -20.257
tors. eta vs tors. theta energy: -41.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -423.281445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.281445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.281445 (E_RNA)
where:
Base-Base interactions energy: -305.724
where: short stacking energy: -123.855
Base-Backbone interact. energy: -0.242
local terms energy: -127.314701
where:
bonds (distance) C4'-P energy: -21.585
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -30.235
flat angles P-C4'-P energy: -20.192
tors. eta vs tors. theta energy: -37.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -450.043792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.043792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.043792 (E_RNA)
where:
Base-Base interactions energy: -318.000
where: short stacking energy: -131.966
Base-Backbone interact. energy: -1.110
local terms energy: -140.933927
where:
bonds (distance) C4'-P energy: -27.759
bonds (distance) P-C4' energy: -22.832
flat angles C4'-P-C4' energy: -27.616
flat angles P-C4'-P energy: -25.506
tors. eta vs tors. theta energy: -37.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -444.607796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.607796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.607796 (E_RNA)
where:
Base-Base interactions energy: -320.560
where: short stacking energy: -136.962
Base-Backbone interact. energy: -0.475
local terms energy: -133.572776
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -25.961
flat angles C4'-P-C4' energy: -26.087
flat angles P-C4'-P energy: -22.838
tors. eta vs tors. theta energy: -41.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -422.229690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.229690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.229690 (E_RNA)
where:
Base-Base interactions energy: -288.134
where: short stacking energy: -134.109
Base-Backbone interact. energy: -0.321
local terms energy: -143.774471
where:
bonds (distance) C4'-P energy: -28.176
bonds (distance) P-C4' energy: -30.352
flat angles C4'-P-C4' energy: -25.358
flat angles P-C4'-P energy: -17.273
tors. eta vs tors. theta energy: -42.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -270.890965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.890965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.890965 (E_RNA)
where:
Base-Base interactions energy: -176.453
where: short stacking energy: -85.021
Base-Backbone interact. energy: -1.154
local terms energy: -103.283347
where:
bonds (distance) C4'-P energy: -21.720
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -22.744
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -20.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -234.029805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.029805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.029805 (E_RNA)
where:
Base-Base interactions energy: -154.665
where: short stacking energy: -62.520
Base-Backbone interact. energy: -0.543
local terms energy: -88.822086
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -30.450
flat angles C4'-P-C4' energy: -23.848
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -8.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -494.526365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.526365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.526365 (E_RNA)
where:
Base-Base interactions energy: -351.818
where: short stacking energy: -144.807
Base-Backbone interact. energy: -0.940
local terms energy: -151.768546
where:
bonds (distance) C4'-P energy: -23.352
bonds (distance) P-C4' energy: -29.978
flat angles C4'-P-C4' energy: -29.120
flat angles P-C4'-P energy: -24.437
tors. eta vs tors. theta energy: -44.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -494.227194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.227194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.227194 (E_RNA)
where:
Base-Base interactions energy: -357.207
where: short stacking energy: -156.505
Base-Backbone interact. energy: -0.476
local terms energy: -146.543983
where:
bonds (distance) C4'-P energy: -24.225
bonds (distance) P-C4' energy: -25.294
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -21.445
tors. eta vs tors. theta energy: -44.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -479.334287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.334287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.334287 (E_RNA)
where:
Base-Base interactions energy: -353.426
where: short stacking energy: -139.755
Base-Backbone interact. energy: -0.755
local terms energy: -135.152629
where:
bonds (distance) C4'-P energy: -21.369
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -29.260
flat angles P-C4'-P energy: -25.101
tors. eta vs tors. theta energy: -39.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -469.257301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.257301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.257301 (E_RNA)
where:
Base-Base interactions energy: -332.019
where: short stacking energy: -128.283
Base-Backbone interact. energy: -0.725
local terms energy: -146.513722
where:
bonds (distance) C4'-P energy: -24.078
bonds (distance) P-C4' energy: -27.667
flat angles C4'-P-C4' energy: -31.823
flat angles P-C4'-P energy: -21.162
tors. eta vs tors. theta energy: -41.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -465.618924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.618924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.618924 (E_RNA)
where:
Base-Base interactions energy: -336.458
where: short stacking energy: -145.425
Base-Backbone interact. energy: -0.090
local terms energy: -139.070554
where:
bonds (distance) C4'-P energy: -26.147
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -30.603
flat angles P-C4'-P energy: -18.782
tors. eta vs tors. theta energy: -46.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -433.236099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.236099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.236099 (E_RNA)
where:
Base-Base interactions energy: -315.749
where: short stacking energy: -135.108
Base-Backbone interact. energy: -0.575
local terms energy: -126.912461
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -23.988
flat angles C4'-P-C4' energy: -29.845
flat angles P-C4'-P energy: -17.994
tors. eta vs tors. theta energy: -38.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -441.850708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.850708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.850708 (E_RNA)
where:
Base-Base interactions energy: -319.804
where: short stacking energy: -140.604
Base-Backbone interact. energy: -0.081
local terms energy: -131.965362
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -31.892
flat angles P-C4'-P energy: -15.803
tors. eta vs tors. theta energy: -44.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -427.322750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.322750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.322750 (E_RNA)
where:
Base-Base interactions energy: -307.579
where: short stacking energy: -135.820
Base-Backbone interact. energy: -0.041
local terms energy: -129.703133
where:
bonds (distance) C4'-P energy: -27.919
bonds (distance) P-C4' energy: -23.903
flat angles C4'-P-C4' energy: -26.037
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -39.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -283.508257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.508257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.508257 (E_RNA)
where:
Base-Base interactions energy: -198.497
where: short stacking energy: -87.410
Base-Backbone interact. energy: -0.299
local terms energy: -94.712456
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -23.127
flat angles C4'-P-C4' energy: -22.791
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -236.769992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.769992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.769992 (E_RNA)
where:
Base-Base interactions energy: -148.401
where: short stacking energy: -72.314
Base-Backbone interact. energy: -1.160
local terms energy: -97.208719
where:
bonds (distance) C4'-P energy: -21.068
bonds (distance) P-C4' energy: -26.717
flat angles C4'-P-C4' energy: -22.086
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -13.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -504.674329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.674329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.674329 (E_RNA)
where:
Base-Base interactions energy: -357.831
where: short stacking energy: -154.266
Base-Backbone interact. energy: -0.123
local terms energy: -156.720598
where:
bonds (distance) C4'-P energy: -23.057
bonds (distance) P-C4' energy: -30.983
flat angles C4'-P-C4' energy: -31.305
flat angles P-C4'-P energy: -24.047
tors. eta vs tors. theta energy: -47.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -494.928552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.928552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.928552 (E_RNA)
where:
Base-Base interactions energy: -350.644
where: short stacking energy: -143.402
Base-Backbone interact. energy: -0.006
local terms energy: -154.278515
where:
bonds (distance) C4'-P energy: -30.224
bonds (distance) P-C4' energy: -27.815
flat angles C4'-P-C4' energy: -33.975
flat angles P-C4'-P energy: -18.269
tors. eta vs tors. theta energy: -43.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -493.052797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.052797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.052797 (E_RNA)
where:
Base-Base interactions energy: -358.298
where: short stacking energy: -146.997
Base-Backbone interact. energy: -0.271
local terms energy: -144.484464
where:
bonds (distance) C4'-P energy: -26.953
bonds (distance) P-C4' energy: -26.306
flat angles C4'-P-C4' energy: -30.697
flat angles P-C4'-P energy: -17.820
tors. eta vs tors. theta energy: -42.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -456.422390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.422390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.422390 (E_RNA)
where:
Base-Base interactions energy: -327.164
where: short stacking energy: -133.647
Base-Backbone interact. energy: 0.582
local terms energy: -139.840671
where:
bonds (distance) C4'-P energy: -29.505
bonds (distance) P-C4' energy: -25.962
flat angles C4'-P-C4' energy: -26.676
flat angles P-C4'-P energy: -17.448
tors. eta vs tors. theta energy: -40.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -468.071101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.071101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.071101 (E_RNA)
where:
Base-Base interactions energy: -334.581
where: short stacking energy: -137.147
Base-Backbone interact. energy: -0.904
local terms energy: -142.585933
where:
bonds (distance) C4'-P energy: -24.567
bonds (distance) P-C4' energy: -28.509
flat angles C4'-P-C4' energy: -31.915
flat angles P-C4'-P energy: -13.387
tors. eta vs tors. theta energy: -44.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -445.508018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.508018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.508018 (E_RNA)
where:
Base-Base interactions energy: -327.810
where: short stacking energy: -135.026
Base-Backbone interact. energy: -0.732
local terms energy: -126.966868
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -21.763
flat angles C4'-P-C4' energy: -27.818
flat angles P-C4'-P energy: -16.745
tors. eta vs tors. theta energy: -38.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -458.002699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.002699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.002699 (E_RNA)
where:
Base-Base interactions energy: -327.193
where: short stacking energy: -131.792
Base-Backbone interact. energy: -0.322
local terms energy: -140.487941
where:
bonds (distance) C4'-P energy: -22.499
bonds (distance) P-C4' energy: -27.981
flat angles C4'-P-C4' energy: -27.383
flat angles P-C4'-P energy: -22.254
tors. eta vs tors. theta energy: -40.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -425.743056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.743056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.743056 (E_RNA)
where:
Base-Base interactions energy: -300.006
where: short stacking energy: -124.232
Base-Backbone interact. energy: -0.143
local terms energy: -135.594816
where:
bonds (distance) C4'-P energy: -24.415
bonds (distance) P-C4' energy: -31.530
flat angles C4'-P-C4' energy: -28.798
flat angles P-C4'-P energy: -11.522
tors. eta vs tors. theta energy: -39.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -280.574955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.574955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.574955 (E_RNA)
where:
Base-Base interactions energy: -183.509
where: short stacking energy: -76.694
Base-Backbone interact. energy: -0.172
local terms energy: -106.893552
where:
bonds (distance) C4'-P energy: -27.967
bonds (distance) P-C4' energy: -22.275
flat angles C4'-P-C4' energy: -26.567
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -12.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -229.046413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.046413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.046413 (E_RNA)
where:
Base-Base interactions energy: -150.579
where: short stacking energy: -63.521
Base-Backbone interact. energy: 0.047
local terms energy: -88.515015
where:
bonds (distance) C4'-P energy: -26.760
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -23.208
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -10.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -494.412380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.412380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.412380 (E_RNA)
where:
Base-Base interactions energy: -346.155
where: short stacking energy: -152.233
Base-Backbone interact. energy: -0.036
local terms energy: -158.221834
where:
bonds (distance) C4'-P energy: -28.119
bonds (distance) P-C4' energy: -29.334
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -23.484
tors. eta vs tors. theta energy: -48.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -491.020939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.020939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.020939 (E_RNA)
where:
Base-Base interactions energy: -343.793
where: short stacking energy: -150.641
Base-Backbone interact. energy: -0.006
local terms energy: -157.222405
where:
bonds (distance) C4'-P energy: -28.371
bonds (distance) P-C4' energy: -29.108
flat angles C4'-P-C4' energy: -31.218
flat angles P-C4'-P energy: -23.231
tors. eta vs tors. theta energy: -45.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -494.089803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.089803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.089803 (E_RNA)
where:
Base-Base interactions energy: -345.076
where: short stacking energy: -143.449
Base-Backbone interact. energy: -0.125
local terms energy: -158.889014
where:
bonds (distance) C4'-P energy: -28.849
bonds (distance) P-C4' energy: -29.613
flat angles C4'-P-C4' energy: -31.051
flat angles P-C4'-P energy: -25.283
tors. eta vs tors. theta energy: -44.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -464.798303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.798303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.798303 (E_RNA)
where:
Base-Base interactions energy: -345.437
where: short stacking energy: -146.316
Base-Backbone interact. energy: -0.082
local terms energy: -129.278943
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -27.806
flat angles C4'-P-C4' energy: -22.778
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -42.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -467.019910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.019910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.019910 (E_RNA)
where:
Base-Base interactions energy: -327.055
where: short stacking energy: -144.090
Base-Backbone interact. energy: -0.028
local terms energy: -149.936325
where:
bonds (distance) C4'-P energy: -28.886
bonds (distance) P-C4' energy: -25.195
flat angles C4'-P-C4' energy: -29.485
flat angles P-C4'-P energy: -21.503
tors. eta vs tors. theta energy: -44.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -442.755699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.755699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.755699 (E_RNA)
where:
Base-Base interactions energy: -319.096
where: short stacking energy: -140.120
Base-Backbone interact. energy: -0.007
local terms energy: -133.652712
where:
bonds (distance) C4'-P energy: -21.459
bonds (distance) P-C4' energy: -20.487
flat angles C4'-P-C4' energy: -27.396
flat angles P-C4'-P energy: -22.454
tors. eta vs tors. theta energy: -41.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -434.110163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.110163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.110163 (E_RNA)
where:
Base-Base interactions energy: -319.902
where: short stacking energy: -127.649
Base-Backbone interact. energy: 0.285
local terms energy: -124.493652
where:
bonds (distance) C4'-P energy: -24.609
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -22.126
flat angles P-C4'-P energy: -18.813
tors. eta vs tors. theta energy: -40.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -432.271076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.271076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.271076 (E_RNA)
where:
Base-Base interactions energy: -322.007
where: short stacking energy: -131.136
Base-Backbone interact. energy: -0.555
local terms energy: -119.709235
where:
bonds (distance) C4'-P energy: -20.715
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -29.978
flat angles P-C4'-P energy: -16.738
tors. eta vs tors. theta energy: -40.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -312.058077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.058077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.058077 (E_RNA)
where:
Base-Base interactions energy: -217.631
where: short stacking energy: -87.176
Base-Backbone interact. energy: -1.378
local terms energy: -103.049378
where:
bonds (distance) C4'-P energy: -24.614
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -28.162
flat angles P-C4'-P energy: -16.674
tors. eta vs tors. theta energy: -13.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -233.217127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.217127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.217127 (E_RNA)
where:
Base-Base interactions energy: -148.687
where: short stacking energy: -64.166
Base-Backbone interact. energy: 0.400
local terms energy: -94.929642
where:
bonds (distance) C4'-P energy: -20.785
bonds (distance) P-C4' energy: -29.192
flat angles C4'-P-C4' energy: -21.705
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -493.523225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.523225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.523225 (E_RNA)
where:
Base-Base interactions energy: -350.262
where: short stacking energy: -151.160
Base-Backbone interact. energy: -0.091
local terms energy: -153.170197
where:
bonds (distance) C4'-P energy: -25.480
bonds (distance) P-C4' energy: -26.801
flat angles C4'-P-C4' energy: -30.489
flat angles P-C4'-P energy: -24.123
tors. eta vs tors. theta energy: -46.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -487.734263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.734263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.734263 (E_RNA)
where:
Base-Base interactions energy: -342.306
where: short stacking energy: -148.035
Base-Backbone interact. energy: -0.102
local terms energy: -155.325868
where:
bonds (distance) C4'-P energy: -25.790
bonds (distance) P-C4' energy: -28.106
flat angles C4'-P-C4' energy: -33.272
flat angles P-C4'-P energy: -21.787
tors. eta vs tors. theta energy: -46.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -474.530098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.530098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.530098 (E_RNA)
where:
Base-Base interactions energy: -342.470
where: short stacking energy: -139.462
Base-Backbone interact. energy: -0.032
local terms energy: -142.027769
where:
bonds (distance) C4'-P energy: -22.521
bonds (distance) P-C4' energy: -26.409
flat angles C4'-P-C4' energy: -33.207
flat angles P-C4'-P energy: -21.611
tors. eta vs tors. theta energy: -38.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -473.583500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.583500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.583500 (E_RNA)
where:
Base-Base interactions energy: -344.267
where: short stacking energy: -139.244
Base-Backbone interact. energy: -0.011
local terms energy: -139.305286
where:
bonds (distance) C4'-P energy: -24.785
bonds (distance) P-C4' energy: -26.447
flat angles C4'-P-C4' energy: -25.006
flat angles P-C4'-P energy: -21.732
tors. eta vs tors. theta energy: -41.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -466.287661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.287661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.287661 (E_RNA)
where:
Base-Base interactions energy: -326.021
where: short stacking energy: -131.208
Base-Backbone interact. energy: -1.006
local terms energy: -149.261230
where:
bonds (distance) C4'-P energy: -27.281
bonds (distance) P-C4' energy: -32.793
flat angles C4'-P-C4' energy: -26.784
flat angles P-C4'-P energy: -17.172
tors. eta vs tors. theta energy: -45.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -465.619440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.619440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.619440 (E_RNA)
where:
Base-Base interactions energy: -343.677
where: short stacking energy: -148.920
Base-Backbone interact. energy: -0.026
local terms energy: -131.916070
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -27.548
flat angles C4'-P-C4' energy: -25.577
flat angles P-C4'-P energy: -15.450
tors. eta vs tors. theta energy: -43.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -452.317545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.317545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.317545 (E_RNA)
where:
Base-Base interactions energy: -328.315
where: short stacking energy: -140.097
Base-Backbone interact. energy: -0.001
local terms energy: -134.001585
where:
bonds (distance) C4'-P energy: -22.520
bonds (distance) P-C4' energy: -22.080
flat angles C4'-P-C4' energy: -26.178
flat angles P-C4'-P energy: -17.825
tors. eta vs tors. theta energy: -45.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -427.447443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.447443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.447443 (E_RNA)
where:
Base-Base interactions energy: -307.826
where: short stacking energy: -128.056
Base-Backbone interact. energy: -0.183
local terms energy: -129.438791
where:
bonds (distance) C4'-P energy: -22.504
bonds (distance) P-C4' energy: -23.012
flat angles C4'-P-C4' energy: -27.795
flat angles P-C4'-P energy: -18.894
tors. eta vs tors. theta energy: -37.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -286.968556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.968556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.968556 (E_RNA)
where:
Base-Base interactions energy: -192.725
where: short stacking energy: -81.318
Base-Backbone interact. energy: -0.015
local terms energy: -104.228835
where:
bonds (distance) C4'-P energy: -23.120
bonds (distance) P-C4' energy: -24.925
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -17.822
tors. eta vs tors. theta energy: -19.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -209.205127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.205127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.205127 (E_RNA)
where:
Base-Base interactions energy: -123.266
where: short stacking energy: -52.956
Base-Backbone interact. energy: 0.227
local terms energy: -96.166041
where:
bonds (distance) C4'-P energy: -25.617
bonds (distance) P-C4' energy: -21.985
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -19.274
tors. eta vs tors. theta energy: -9.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -498.552222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.552222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.552222 (E_RNA)
where:
Base-Base interactions energy: -352.109
where: short stacking energy: -150.708
Base-Backbone interact. energy: -0.588
local terms energy: -155.856028
where:
bonds (distance) C4'-P energy: -22.770
bonds (distance) P-C4' energy: -29.417
flat angles C4'-P-C4' energy: -33.786
flat angles P-C4'-P energy: -23.089
tors. eta vs tors. theta energy: -46.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -491.603623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.603623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.603623 (E_RNA)
where:
Base-Base interactions energy: -346.743
where: short stacking energy: -150.422
Base-Backbone interact. energy: -0.584
local terms energy: -154.277001
where:
bonds (distance) C4'-P energy: -28.298
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -33.005
flat angles P-C4'-P energy: -20.236
tors. eta vs tors. theta energy: -47.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -481.931417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.931417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.931417 (E_RNA)
where:
Base-Base interactions energy: -341.267
where: short stacking energy: -149.073
Base-Backbone interact. energy: -0.249
local terms energy: -150.415098
where:
bonds (distance) C4'-P energy: -28.238
bonds (distance) P-C4' energy: -27.862
flat angles C4'-P-C4' energy: -29.593
flat angles P-C4'-P energy: -21.986
tors. eta vs tors. theta energy: -42.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -463.121085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.121085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.121085 (E_RNA)
where:
Base-Base interactions energy: -338.839
where: short stacking energy: -138.719
Base-Backbone interact. energy: 0.717
local terms energy: -134.998390
where:
bonds (distance) C4'-P energy: -20.590
bonds (distance) P-C4' energy: -27.694
flat angles C4'-P-C4' energy: -29.718
flat angles P-C4'-P energy: -20.822
tors. eta vs tors. theta energy: -36.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -467.812927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.812927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.812927 (E_RNA)
where:
Base-Base interactions energy: -340.797
where: short stacking energy: -141.477
Base-Backbone interact. energy: -0.389
local terms energy: -136.626545
where:
bonds (distance) C4'-P energy: -25.397
bonds (distance) P-C4' energy: -23.535
flat angles C4'-P-C4' energy: -29.965
flat angles P-C4'-P energy: -18.679
tors. eta vs tors. theta energy: -39.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -463.094306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.094306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.094306 (E_RNA)
where:
Base-Base interactions energy: -331.852
where: short stacking energy: -131.169
Base-Backbone interact. energy: -1.095
local terms energy: -140.146808
where:
bonds (distance) C4'-P energy: -24.067
bonds (distance) P-C4' energy: -20.511
flat angles C4'-P-C4' energy: -33.104
flat angles P-C4'-P energy: -17.598
tors. eta vs tors. theta energy: -44.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -437.817602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.817602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.817602 (E_RNA)
where:
Base-Base interactions energy: -317.968
where: short stacking energy: -132.942
Base-Backbone interact. energy: -0.161
local terms energy: -129.688723
where:
bonds (distance) C4'-P energy: -23.141
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -27.782
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -41.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -420.639374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.639374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.639374 (E_RNA)
where:
Base-Base interactions energy: -305.820
where: short stacking energy: -125.330
Base-Backbone interact. energy: -0.429
local terms energy: -124.389778
where:
bonds (distance) C4'-P energy: -26.437
bonds (distance) P-C4' energy: -22.249
flat angles C4'-P-C4' energy: -22.486
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -40.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -291.452554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.452554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.452554 (E_RNA)
where:
Base-Base interactions energy: -209.714
where: short stacking energy: -88.640
Base-Backbone interact. energy: -0.404
local terms energy: -91.335026
where:
bonds (distance) C4'-P energy: -24.800
bonds (distance) P-C4' energy: -27.809
flat angles C4'-P-C4' energy: -19.332
flat angles P-C4'-P energy: -3.437
tors. eta vs tors. theta energy: -15.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -235.746841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.746841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.746841 (E_RNA)
where:
Base-Base interactions energy: -152.040
where: short stacking energy: -78.930
Base-Backbone interact. energy: -0.645
local terms energy: -93.062156
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -21.887
flat angles C4'-P-C4' energy: -23.959
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -15.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -500.499840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.499840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.499840 (E_RNA)
where:
Base-Base interactions energy: -358.081
where: short stacking energy: -153.386
Base-Backbone interact. energy: -0.046
local terms energy: -152.372319
where:
bonds (distance) C4'-P energy: -28.503
bonds (distance) P-C4' energy: -25.928
flat angles C4'-P-C4' energy: -29.106
flat angles P-C4'-P energy: -22.242
tors. eta vs tors. theta energy: -46.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -483.224902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.224902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.224902 (E_RNA)
where:
Base-Base interactions energy: -340.702
where: short stacking energy: -148.558
Base-Backbone interact. energy: 0.065
local terms energy: -152.587648
where:
bonds (distance) C4'-P energy: -28.235
bonds (distance) P-C4' energy: -28.372
flat angles C4'-P-C4' energy: -26.972
flat angles P-C4'-P energy: -23.157
tors. eta vs tors. theta energy: -45.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -492.083719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.083719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.083719 (E_RNA)
where:
Base-Base interactions energy: -359.791
where: short stacking energy: -151.641
Base-Backbone interact. energy: -0.001
local terms energy: -142.291314
where:
bonds (distance) C4'-P energy: -21.836
bonds (distance) P-C4' energy: -25.158
flat angles C4'-P-C4' energy: -27.622
flat angles P-C4'-P energy: -22.253
tors. eta vs tors. theta energy: -45.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -457.340352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.340352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.340352 (E_RNA)
where:
Base-Base interactions energy: -319.499
where: short stacking energy: -135.965
Base-Backbone interact. energy: -0.672
local terms energy: -147.169940
where:
bonds (distance) C4'-P energy: -27.791
bonds (distance) P-C4' energy: -27.309
flat angles C4'-P-C4' energy: -26.185
flat angles P-C4'-P energy: -21.666
tors. eta vs tors. theta energy: -44.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -462.122557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.122557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.122557 (E_RNA)
where:
Base-Base interactions energy: -334.523
where: short stacking energy: -127.489
Base-Backbone interact. energy: -0.232
local terms energy: -137.367694
where:
bonds (distance) C4'-P energy: -22.881
bonds (distance) P-C4' energy: -26.790
flat angles C4'-P-C4' energy: -29.566
flat angles P-C4'-P energy: -20.774
tors. eta vs tors. theta energy: -37.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -457.175958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.175958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.175958 (E_RNA)
where:
Base-Base interactions energy: -326.992
where: short stacking energy: -140.278
Base-Backbone interact. energy: -0.009
local terms energy: -140.175269
where:
bonds (distance) C4'-P energy: -24.789
bonds (distance) P-C4' energy: -22.519
flat angles C4'-P-C4' energy: -29.540
flat angles P-C4'-P energy: -18.407
tors. eta vs tors. theta energy: -44.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -450.860488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.860488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.860488 (E_RNA)
where:
Base-Base interactions energy: -335.925
where: short stacking energy: -130.298
Base-Backbone interact. energy: -0.025
local terms energy: -124.910852
where:
bonds (distance) C4'-P energy: -17.729
bonds (distance) P-C4' energy: -23.462
flat angles C4'-P-C4' energy: -24.692
flat angles P-C4'-P energy: -19.944
tors. eta vs tors. theta energy: -39.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -429.438584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.438584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.438584 (E_RNA)
where:
Base-Base interactions energy: -306.290
where: short stacking energy: -126.226
Base-Backbone interact. energy: -0.671
local terms energy: -132.477104
where:
bonds (distance) C4'-P energy: -26.405
bonds (distance) P-C4' energy: -23.368
flat angles C4'-P-C4' energy: -27.786
flat angles P-C4'-P energy: -16.137
tors. eta vs tors. theta energy: -38.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -297.692325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.692325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.692325 (E_RNA)
where:
Base-Base interactions energy: -204.013
where: short stacking energy: -85.903
Base-Backbone interact. energy: -0.491
local terms energy: -103.188445
where:
bonds (distance) C4'-P energy: -22.116
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -25.369
flat angles P-C4'-P energy: -19.572
tors. eta vs tors. theta energy: -20.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -217.912787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.912787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.912787 (E_RNA)
where:
Base-Base interactions energy: -140.868
where: short stacking energy: -62.071
Base-Backbone interact. energy: 1.664
local terms energy: -88.709230
where:
bonds (distance) C4'-P energy: -19.568
bonds (distance) P-C4' energy: -21.305
flat angles C4'-P-C4' energy: -23.010
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -497.871255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.871255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.871255 (E_RNA)
where:
Base-Base interactions energy: -352.817
where: short stacking energy: -151.380
Base-Backbone interact. energy: -0.002
local terms energy: -155.051831
where:
bonds (distance) C4'-P energy: -24.734
bonds (distance) P-C4' energy: -32.180
flat angles C4'-P-C4' energy: -32.076
flat angles P-C4'-P energy: -22.566
tors. eta vs tors. theta energy: -43.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -498.115794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.115794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.115794 (E_RNA)
where:
Base-Base interactions energy: -353.171
where: short stacking energy: -150.796
Base-Backbone interact. energy: -0.011
local terms energy: -154.934318
where:
bonds (distance) C4'-P energy: -27.216
bonds (distance) P-C4' energy: -25.196
flat angles C4'-P-C4' energy: -30.943
flat angles P-C4'-P energy: -24.264
tors. eta vs tors. theta energy: -47.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -485.919546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.919546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.919546 (E_RNA)
where:
Base-Base interactions energy: -353.778
where: short stacking energy: -147.252
Base-Backbone interact. energy: -0.379
local terms energy: -141.762710
where:
bonds (distance) C4'-P energy: -26.022
bonds (distance) P-C4' energy: -25.162
flat angles C4'-P-C4' energy: -27.617
flat angles P-C4'-P energy: -20.361
tors. eta vs tors. theta energy: -42.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -478.232183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.232183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.232183 (E_RNA)
where:
Base-Base interactions energy: -343.112
where: short stacking energy: -149.404
Base-Backbone interact. energy: -0.465
local terms energy: -144.655976
where:
bonds (distance) C4'-P energy: -23.327
bonds (distance) P-C4' energy: -26.136
flat angles C4'-P-C4' energy: -33.153
flat angles P-C4'-P energy: -17.294
tors. eta vs tors. theta energy: -44.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -470.297546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.297546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.297546 (E_RNA)
where:
Base-Base interactions energy: -338.836
where: short stacking energy: -137.991
Base-Backbone interact. energy: -0.041
local terms energy: -141.419906
where:
bonds (distance) C4'-P energy: -26.124
bonds (distance) P-C4' energy: -23.500
flat angles C4'-P-C4' energy: -28.073
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -42.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -467.551213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.551213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.551213 (E_RNA)
where:
Base-Base interactions energy: -328.201
where: short stacking energy: -138.302
Base-Backbone interact. energy: -0.137
local terms energy: -149.212679
where:
bonds (distance) C4'-P energy: -32.456
bonds (distance) P-C4' energy: -25.086
flat angles C4'-P-C4' energy: -26.710
flat angles P-C4'-P energy: -23.799
tors. eta vs tors. theta energy: -41.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -417.988258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.988258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.988258 (E_RNA)
where:
Base-Base interactions energy: -301.612
where: short stacking energy: -122.038
Base-Backbone interact. energy: -2.229
local terms energy: -124.146809
where:
bonds (distance) C4'-P energy: -24.553
bonds (distance) P-C4' energy: -24.866
flat angles C4'-P-C4' energy: -23.169
flat angles P-C4'-P energy: -17.836
tors. eta vs tors. theta energy: -33.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -433.518129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.518129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.518129 (E_RNA)
where:
Base-Base interactions energy: -308.471
where: short stacking energy: -131.934
Base-Backbone interact. energy: -0.703
local terms energy: -134.343598
where:
bonds (distance) C4'-P energy: -24.461
bonds (distance) P-C4' energy: -21.689
flat angles C4'-P-C4' energy: -27.554
flat angles P-C4'-P energy: -21.880
tors. eta vs tors. theta energy: -38.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -291.891623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.891623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.891623 (E_RNA)
where:
Base-Base interactions energy: -217.696
where: short stacking energy: -90.188
Base-Backbone interact. energy: 1.869
local terms energy: -86.064056
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -16.008
tors. eta vs tors. theta energy: -21.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -236.967069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.967069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.967069 (E_RNA)
where:
Base-Base interactions energy: -165.273
where: short stacking energy: -86.667
Base-Backbone interact. energy: -0.473
local terms energy: -81.221232
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -16.496
flat angles C4'-P-C4' energy: -23.866
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -11.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -499.069270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.069270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.069270 (E_RNA)
where:
Base-Base interactions energy: -359.705
where: short stacking energy: -153.159
Base-Backbone interact. energy: -0.543
local terms energy: -148.822154
where:
bonds (distance) C4'-P energy: -21.185
bonds (distance) P-C4' energy: -26.174
flat angles C4'-P-C4' energy: -29.047
flat angles P-C4'-P energy: -23.294
tors. eta vs tors. theta energy: -49.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -492.931704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.931704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.931704 (E_RNA)
where:
Base-Base interactions energy: -355.265
where: short stacking energy: -152.855
Base-Backbone interact. energy: -0.011
local terms energy: -147.655589
where:
bonds (distance) C4'-P energy: -24.477
bonds (distance) P-C4' energy: -26.563
flat angles C4'-P-C4' energy: -31.646
flat angles P-C4'-P energy: -20.358
tors. eta vs tors. theta energy: -44.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -487.360000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.360000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.360000 (E_RNA)
where:
Base-Base interactions energy: -348.010
where: short stacking energy: -141.132
Base-Backbone interact. energy: -0.434
local terms energy: -148.915420
where:
bonds (distance) C4'-P energy: -26.864
bonds (distance) P-C4' energy: -29.917
flat angles C4'-P-C4' energy: -31.999
flat angles P-C4'-P energy: -20.472
tors. eta vs tors. theta energy: -39.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -473.591415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.591415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.591415 (E_RNA)
where:
Base-Base interactions energy: -342.486
where: short stacking energy: -136.604
Base-Backbone interact. energy: -0.074
local terms energy: -141.030604
where:
bonds (distance) C4'-P energy: -25.686
bonds (distance) P-C4' energy: -18.445
flat angles C4'-P-C4' energy: -29.897
flat angles P-C4'-P energy: -24.153
tors. eta vs tors. theta energy: -42.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -464.421687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.421687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.421687 (E_RNA)
where:
Base-Base interactions energy: -337.912
where: short stacking energy: -140.465
Base-Backbone interact. energy: -0.166
local terms energy: -136.343482
where:
bonds (distance) C4'-P energy: -26.850
bonds (distance) P-C4' energy: -21.829
flat angles C4'-P-C4' energy: -27.306
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -44.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -455.870719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.870719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.870719 (E_RNA)
where:
Base-Base interactions energy: -333.826
where: short stacking energy: -136.390
Base-Backbone interact. energy: -0.569
local terms energy: -131.475272
where:
bonds (distance) C4'-P energy: -24.981
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -25.579
flat angles P-C4'-P energy: -19.378
tors. eta vs tors. theta energy: -40.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -445.342220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.342220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.342220 (E_RNA)
where:
Base-Base interactions energy: -317.117
where: short stacking energy: -131.542
Base-Backbone interact. energy: -0.230
local terms energy: -137.995159
where:
bonds (distance) C4'-P energy: -26.760
bonds (distance) P-C4' energy: -27.354
flat angles C4'-P-C4' energy: -27.866
flat angles P-C4'-P energy: -17.049
tors. eta vs tors. theta energy: -38.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -416.657342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.657342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.657342 (E_RNA)
where:
Base-Base interactions energy: -300.563
where: short stacking energy: -121.280
Base-Backbone interact. energy: -0.966
local terms energy: -125.128011
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -23.692
flat angles C4'-P-C4' energy: -30.678
flat angles P-C4'-P energy: -16.326
tors. eta vs tors. theta energy: -35.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -220.087768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.087768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.087768 (E_RNA)
where:
Base-Base interactions energy: -152.083
where: short stacking energy: -84.979
Base-Backbone interact. energy: -0.598
local terms energy: -77.406363
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -26.242
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -7.235
tors. eta vs tors. theta energy: -17.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -294.610664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.610664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.610664 (E_RNA)
where:
Base-Base interactions energy: -201.701
where: short stacking energy: -86.170
Base-Backbone interact. energy: -1.439
local terms energy: -101.471294
where:
bonds (distance) C4'-P energy: -24.276
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -23.089
flat angles P-C4'-P energy: -17.622
tors. eta vs tors. theta energy: -15.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -494.458783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.458783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.458783 (E_RNA)
where:
Base-Base interactions energy: -358.022
where: short stacking energy: -145.816
Base-Backbone interact. energy: -0.733
local terms energy: -145.704548
where:
bonds (distance) C4'-P energy: -27.127
bonds (distance) P-C4' energy: -26.429
flat angles C4'-P-C4' energy: -28.873
flat angles P-C4'-P energy: -22.402
tors. eta vs tors. theta energy: -40.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -488.525652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.525652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.525652 (E_RNA)
where:
Base-Base interactions energy: -347.267
where: short stacking energy: -147.313
Base-Backbone interact. energy: -0.055
local terms energy: -151.203421
where:
bonds (distance) C4'-P energy: -25.014
bonds (distance) P-C4' energy: -28.018
flat angles C4'-P-C4' energy: -28.290
flat angles P-C4'-P energy: -20.106
tors. eta vs tors. theta energy: -49.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -482.683366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.683366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.683366 (E_RNA)
where:
Base-Base interactions energy: -348.753
where: short stacking energy: -145.481
Base-Backbone interact. energy: -0.725
local terms energy: -143.204614
where:
bonds (distance) C4'-P energy: -23.379
bonds (distance) P-C4' energy: -27.509
flat angles C4'-P-C4' energy: -30.961
flat angles P-C4'-P energy: -22.430
tors. eta vs tors. theta energy: -38.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -484.613759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.613759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.613759 (E_RNA)
where:
Base-Base interactions energy: -344.659
where: short stacking energy: -145.179
Base-Backbone interact. energy: -0.025
local terms energy: -149.930030
where:
bonds (distance) C4'-P energy: -24.645
bonds (distance) P-C4' energy: -29.986
flat angles C4'-P-C4' energy: -29.949
flat angles P-C4'-P energy: -21.358
tors. eta vs tors. theta energy: -43.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -463.224145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.224145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.224145 (E_RNA)
where:
Base-Base interactions energy: -335.221
where: short stacking energy: -131.191
Base-Backbone interact. energy: -0.170
local terms energy: -137.833224
where:
bonds (distance) C4'-P energy: -21.339
bonds (distance) P-C4' energy: -23.167
flat angles C4'-P-C4' energy: -29.897
flat angles P-C4'-P energy: -16.834
tors. eta vs tors. theta energy: -46.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -460.768061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.768061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.768061 (E_RNA)
where:
Base-Base interactions energy: -334.731
where: short stacking energy: -138.709
Base-Backbone interact. energy: -0.090
local terms energy: -135.946684
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -28.626
flat angles P-C4'-P energy: -19.226
tors. eta vs tors. theta energy: -40.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -447.951633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.951633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.951633 (E_RNA)
where:
Base-Base interactions energy: -317.850
where: short stacking energy: -131.537
Base-Backbone interact. energy: -0.339
local terms energy: -139.762720
where:
bonds (distance) C4'-P energy: -23.947
bonds (distance) P-C4' energy: -21.431
flat angles C4'-P-C4' energy: -27.282
flat angles P-C4'-P energy: -23.613
tors. eta vs tors. theta energy: -43.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -433.592873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.592873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.592873 (E_RNA)
where:
Base-Base interactions energy: -326.727
where: short stacking energy: -129.489
Base-Backbone interact. energy: -0.218
local terms energy: -116.647707
where:
bonds (distance) C4'-P energy: -23.188
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -24.644
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -35.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -229.533137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.533137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.533137 (E_RNA)
where:
Base-Base interactions energy: -137.516
where: short stacking energy: -62.079
Base-Backbone interact. energy: -1.393
local terms energy: -100.624361
where:
bonds (distance) C4'-P energy: -25.011
bonds (distance) P-C4' energy: -25.726
flat angles C4'-P-C4' energy: -20.802
flat angles P-C4'-P energy: -17.898
tors. eta vs tors. theta energy: -11.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -312.083413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.083413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.083413 (E_RNA)
where:
Base-Base interactions energy: -217.890
where: short stacking energy: -92.601
Base-Backbone interact. energy: -1.530
local terms energy: -102.663887
where:
bonds (distance) C4'-P energy: -27.023
bonds (distance) P-C4' energy: -21.537
flat angles C4'-P-C4' energy: -22.805
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -19.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -501.751005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.751005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.751005 (E_RNA)
where:
Base-Base interactions energy: -349.683
where: short stacking energy: -147.023
Base-Backbone interact. energy: -0.297
local terms energy: -161.770622
where:
bonds (distance) C4'-P energy: -27.909
bonds (distance) P-C4' energy: -28.918
flat angles C4'-P-C4' energy: -34.947
flat angles P-C4'-P energy: -23.030
tors. eta vs tors. theta energy: -46.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -486.023692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.023692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.023692 (E_RNA)
where:
Base-Base interactions energy: -348.055
where: short stacking energy: -142.052
Base-Backbone interact. energy: 0.959
local terms energy: -148.927748
where:
bonds (distance) C4'-P energy: -27.075
bonds (distance) P-C4' energy: -28.343
flat angles C4'-P-C4' energy: -30.794
flat angles P-C4'-P energy: -22.742
tors. eta vs tors. theta energy: -39.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -482.687118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.687118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.687118 (E_RNA)
where:
Base-Base interactions energy: -346.168
where: short stacking energy: -141.468
Base-Backbone interact. energy: -1.168
local terms energy: -145.351160
where:
bonds (distance) C4'-P energy: -27.525
bonds (distance) P-C4' energy: -21.163
flat angles C4'-P-C4' energy: -30.511
flat angles P-C4'-P energy: -21.298
tors. eta vs tors. theta energy: -44.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -482.855555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.855555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.855555 (E_RNA)
where:
Base-Base interactions energy: -347.526
where: short stacking energy: -150.720
Base-Backbone interact. energy: -0.088
local terms energy: -145.241070
where:
bonds (distance) C4'-P energy: -27.401
bonds (distance) P-C4' energy: -26.745
flat angles C4'-P-C4' energy: -29.555
flat angles P-C4'-P energy: -16.642
tors. eta vs tors. theta energy: -44.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -467.983062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.983062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.983062 (E_RNA)
where:
Base-Base interactions energy: -334.512
where: short stacking energy: -141.584
Base-Backbone interact. energy: -0.026
local terms energy: -143.444521
where:
bonds (distance) C4'-P energy: -23.161
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -34.171
flat angles P-C4'-P energy: -21.798
tors. eta vs tors. theta energy: -40.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -456.465003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.465003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.465003 (E_RNA)
where:
Base-Base interactions energy: -330.936
where: short stacking energy: -144.651
Base-Backbone interact. energy: -0.125
local terms energy: -135.403088
where:
bonds (distance) C4'-P energy: -25.048
bonds (distance) P-C4' energy: -27.459
flat angles C4'-P-C4' energy: -25.532
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -43.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -445.665646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.665646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.665646 (E_RNA)
where:
Base-Base interactions energy: -326.865
where: short stacking energy: -140.061
Base-Backbone interact. energy: -0.637
local terms energy: -128.163592
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -27.394
flat angles P-C4'-P energy: -21.209
tors. eta vs tors. theta energy: -41.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -413.026683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.026683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.026683 (E_RNA)
where:
Base-Base interactions energy: -299.977
where: short stacking energy: -125.159
Base-Backbone interact. energy: -0.230
local terms energy: -122.819286
where:
bonds (distance) C4'-P energy: -24.018
bonds (distance) P-C4' energy: -23.128
flat angles C4'-P-C4' energy: -25.346
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -37.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -374.439464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.439464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.439464 (E_RNA)
where:
Base-Base interactions energy: -275.438
where: short stacking energy: -117.054
Base-Backbone interact. energy: -0.464
local terms energy: -108.537273
where:
bonds (distance) C4'-P energy: -22.313
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -23.739
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -27.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -228.451965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.451965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.451965 (E_RNA)
where:
Base-Base interactions energy: -135.814
where: short stacking energy: -65.519
Base-Backbone interact. energy: -0.189
local terms energy: -102.449033
where:
bonds (distance) C4'-P energy: -27.289
bonds (distance) P-C4' energy: -29.248
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -16.063
tors. eta vs tors. theta energy: -10.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -496.532139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.532139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.532139 (E_RNA)
where:
Base-Base interactions energy: -356.304
where: short stacking energy: -148.903
Base-Backbone interact. energy: -0.003
local terms energy: -150.225227
where:
bonds (distance) C4'-P energy: -26.299
bonds (distance) P-C4' energy: -25.866
flat angles C4'-P-C4' energy: -32.809
flat angles P-C4'-P energy: -21.317
tors. eta vs tors. theta energy: -43.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -490.027355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.027355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.027355 (E_RNA)
where:
Base-Base interactions energy: -355.159
where: short stacking energy: -143.996
Base-Backbone interact. energy: -0.325
local terms energy: -144.543134
where:
bonds (distance) C4'-P energy: -25.876
bonds (distance) P-C4' energy: -24.453
flat angles C4'-P-C4' energy: -31.931
flat angles P-C4'-P energy: -17.951
tors. eta vs tors. theta energy: -44.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -483.096882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.096882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.096882 (E_RNA)
where:
Base-Base interactions energy: -346.589
where: short stacking energy: -152.068
Base-Backbone interact. energy: -0.243
local terms energy: -146.264696
where:
bonds (distance) C4'-P energy: -25.766
bonds (distance) P-C4' energy: -25.981
flat angles C4'-P-C4' energy: -26.688
flat angles P-C4'-P energy: -19.839
tors. eta vs tors. theta energy: -47.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -475.380972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.380972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.380972 (E_RNA)
where:
Base-Base interactions energy: -342.727
where: short stacking energy: -147.399
Base-Backbone interact. energy: -0.724
local terms energy: -141.929966
where:
bonds (distance) C4'-P energy: -26.373
bonds (distance) P-C4' energy: -24.913
flat angles C4'-P-C4' energy: -30.133
flat angles P-C4'-P energy: -16.907
tors. eta vs tors. theta energy: -43.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -455.508733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.508733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.508733 (E_RNA)
where:
Base-Base interactions energy: -331.985
where: short stacking energy: -137.361
Base-Backbone interact. energy: -0.468
local terms energy: -133.056348
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -28.432
flat angles C4'-P-C4' energy: -21.673
flat angles P-C4'-P energy: -20.069
tors. eta vs tors. theta energy: -41.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -467.382465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.382465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.382465 (E_RNA)
where:
Base-Base interactions energy: -334.340
where: short stacking energy: -142.124
Base-Backbone interact. energy: -0.057
local terms energy: -142.985536
where:
bonds (distance) C4'-P energy: -24.891
bonds (distance) P-C4' energy: -27.163
flat angles C4'-P-C4' energy: -28.382
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -43.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -454.746754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.746754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.746754 (E_RNA)
where:
Base-Base interactions energy: -324.492
where: short stacking energy: -126.541
Base-Backbone interact. energy: -0.114
local terms energy: -140.141399
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -30.700
flat angles P-C4'-P energy: -23.764
tors. eta vs tors. theta energy: -40.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -441.522717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.522717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.522717 (E_RNA)
where:
Base-Base interactions energy: -311.235
where: short stacking energy: -121.843
Base-Backbone interact. energy: -0.312
local terms energy: -139.976253
where:
bonds (distance) C4'-P energy: -21.285
bonds (distance) P-C4' energy: -27.137
flat angles C4'-P-C4' energy: -26.589
flat angles P-C4'-P energy: -22.707
tors. eta vs tors. theta energy: -42.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -379.363378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.363378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.363378 (E_RNA)
where:
Base-Base interactions energy: -266.246
where: short stacking energy: -109.210
Base-Backbone interact. energy: -0.692
local terms energy: -122.426168
where:
bonds (distance) C4'-P energy: -25.698
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -26.725
flat angles P-C4'-P energy: -20.075
tors. eta vs tors. theta energy: -31.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -238.310938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.310938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.310938 (E_RNA)
where:
Base-Base interactions energy: -152.693
where: short stacking energy: -75.114
Base-Backbone interact. energy: 0.731
local terms energy: -96.348923
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -27.422
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -20.122
tors. eta vs tors. theta energy: -12.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -495.250918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.250918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.250918 (E_RNA)
where:
Base-Base interactions energy: -354.475
where: short stacking energy: -153.254
Base-Backbone interact. energy: -0.133
local terms energy: -150.643148
where:
bonds (distance) C4'-P energy: -28.136
bonds (distance) P-C4' energy: -25.991
flat angles C4'-P-C4' energy: -28.287
flat angles P-C4'-P energy: -21.438
tors. eta vs tors. theta energy: -46.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -489.156670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.156670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.156670 (E_RNA)
where:
Base-Base interactions energy: -358.666
where: short stacking energy: -149.321
Base-Backbone interact. energy: -0.332
local terms energy: -140.158141
where:
bonds (distance) C4'-P energy: -23.336
bonds (distance) P-C4' energy: -21.434
flat angles C4'-P-C4' energy: -33.118
flat angles P-C4'-P energy: -19.183
tors. eta vs tors. theta energy: -43.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -483.305068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.305068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.305068 (E_RNA)
where:
Base-Base interactions energy: -341.164
where: short stacking energy: -152.436
Base-Backbone interact. energy: -0.966
local terms energy: -151.175092
where:
bonds (distance) C4'-P energy: -25.255
bonds (distance) P-C4' energy: -29.652
flat angles C4'-P-C4' energy: -28.975
flat angles P-C4'-P energy: -25.074
tors. eta vs tors. theta energy: -42.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -469.902429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.902429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.902429 (E_RNA)
where:
Base-Base interactions energy: -333.913
where: short stacking energy: -138.040
Base-Backbone interact. energy: -0.154
local terms energy: -145.835666
where:
bonds (distance) C4'-P energy: -29.727
bonds (distance) P-C4' energy: -27.483
flat angles C4'-P-C4' energy: -27.738
flat angles P-C4'-P energy: -17.980
tors. eta vs tors. theta energy: -42.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -440.019022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.019022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.019022 (E_RNA)
where:
Base-Base interactions energy: -318.040
where: short stacking energy: -125.151
Base-Backbone interact. energy: -0.246
local terms energy: -131.732778
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -26.668
flat angles C4'-P-C4' energy: -28.116
flat angles P-C4'-P energy: -17.059
tors. eta vs tors. theta energy: -41.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -443.868998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.868998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.868998 (E_RNA)
where:
Base-Base interactions energy: -304.362
where: short stacking energy: -126.829
Base-Backbone interact. energy: -0.605
local terms energy: -148.901767
where:
bonds (distance) C4'-P energy: -27.779
bonds (distance) P-C4' energy: -32.968
flat angles C4'-P-C4' energy: -31.506
flat angles P-C4'-P energy: -18.603
tors. eta vs tors. theta energy: -38.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -433.900843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.900843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.900843 (E_RNA)
where:
Base-Base interactions energy: -318.779
where: short stacking energy: -129.709
Base-Backbone interact. energy: -0.351
local terms energy: -124.770170
where:
bonds (distance) C4'-P energy: -24.114
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -27.447
flat angles P-C4'-P energy: -16.763
tors. eta vs tors. theta energy: -34.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -444.452003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.452003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.452003 (E_RNA)
where:
Base-Base interactions energy: -320.112
where: short stacking energy: -128.388
Base-Backbone interact. energy: -0.013
local terms energy: -134.326748
where:
bonds (distance) C4'-P energy: -20.723
bonds (distance) P-C4' energy: -25.698
flat angles C4'-P-C4' energy: -26.760
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -40.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -406.159242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.159242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.159242 (E_RNA)
where:
Base-Base interactions energy: -299.834
where: short stacking energy: -122.064
Base-Backbone interact. energy: -0.705
local terms energy: -115.619759
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -26.021
flat angles P-C4'-P energy: -18.830
tors. eta vs tors. theta energy: -34.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -226.996486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.996486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.996486 (E_RNA)
where:
Base-Base interactions energy: -154.927
where: short stacking energy: -69.107
Base-Backbone interact. energy: -0.241
local terms energy: -81.829258
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -28.317
flat angles C4'-P-C4' energy: -23.176
flat angles P-C4'-P energy: -4.074
tors. eta vs tors. theta energy: -9.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -494.087426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.087426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.087426 (E_RNA)
where:
Base-Base interactions energy: -349.059
where: short stacking energy: -150.493
Base-Backbone interact. energy: -0.009
local terms energy: -155.019713
where:
bonds (distance) C4'-P energy: -29.194
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -30.477
flat angles P-C4'-P energy: -20.764
tors. eta vs tors. theta energy: -46.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -488.915474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.915474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.915474 (E_RNA)
where:
Base-Base interactions energy: -341.594
where: short stacking energy: -141.559
Base-Backbone interact. energy: -0.079
local terms energy: -157.242382
where:
bonds (distance) C4'-P energy: -30.756
bonds (distance) P-C4' energy: -27.634
flat angles C4'-P-C4' energy: -32.002
flat angles P-C4'-P energy: -20.690
tors. eta vs tors. theta energy: -46.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -476.151229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.151229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.151229 (E_RNA)
where:
Base-Base interactions energy: -330.740
where: short stacking energy: -138.317
Base-Backbone interact. energy: -0.176
local terms energy: -155.235351
where:
bonds (distance) C4'-P energy: -32.558
bonds (distance) P-C4' energy: -25.723
flat angles C4'-P-C4' energy: -34.288
flat angles P-C4'-P energy: -19.609
tors. eta vs tors. theta energy: -43.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -478.096535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.096535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.096535 (E_RNA)
where:
Base-Base interactions energy: -342.810
where: short stacking energy: -143.514
Base-Backbone interact. energy: -0.037
local terms energy: -145.249835
where:
bonds (distance) C4'-P energy: -23.385
bonds (distance) P-C4' energy: -24.062
flat angles C4'-P-C4' energy: -28.748
flat angles P-C4'-P energy: -24.585
tors. eta vs tors. theta energy: -44.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -467.448182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.448182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.448182 (E_RNA)
where:
Base-Base interactions energy: -337.070
where: short stacking energy: -142.088
Base-Backbone interact. energy: 0.824
local terms energy: -141.201661
where:
bonds (distance) C4'-P energy: -22.974
bonds (distance) P-C4' energy: -22.775
flat angles C4'-P-C4' energy: -29.850
flat angles P-C4'-P energy: -20.404
tors. eta vs tors. theta energy: -45.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -455.154819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.154819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.154819 (E_RNA)
where:
Base-Base interactions energy: -328.286
where: short stacking energy: -139.767
Base-Backbone interact. energy: -0.030
local terms energy: -136.839020
where:
bonds (distance) C4'-P energy: -23.649
bonds (distance) P-C4' energy: -24.637
flat angles C4'-P-C4' energy: -31.111
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -42.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -430.569737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.569737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.569737 (E_RNA)
where:
Base-Base interactions energy: -315.091
where: short stacking energy: -131.726
Base-Backbone interact. energy: -0.767
local terms energy: -124.711906
where:
bonds (distance) C4'-P energy: -22.014
bonds (distance) P-C4' energy: -26.696
flat angles C4'-P-C4' energy: -22.091
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -36.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -409.982664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.982664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.982664 (E_RNA)
where:
Base-Base interactions energy: -281.350
where: short stacking energy: -123.312
Base-Backbone interact. energy: -0.377
local terms energy: -138.255926
where:
bonds (distance) C4'-P energy: -29.396
bonds (distance) P-C4' energy: -27.566
flat angles C4'-P-C4' energy: -28.071
flat angles P-C4'-P energy: -15.426
tors. eta vs tors. theta energy: -37.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -418.654070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.654070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.654070 (E_RNA)
where:
Base-Base interactions energy: -301.457
where: short stacking energy: -121.323
Base-Backbone interact. energy: -0.317
local terms energy: -126.879713
where:
bonds (distance) C4'-P energy: -24.761
bonds (distance) P-C4' energy: -21.510
flat angles C4'-P-C4' energy: -27.157
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -40.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -256.950164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.950164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.950164 (E_RNA)
where:
Base-Base interactions energy: -175.749
where: short stacking energy: -74.659
Base-Backbone interact. energy: -0.777
local terms energy: -90.423946
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -20.696
flat angles C4'-P-C4' energy: -22.470
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -19.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -502.142498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.142498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.142498 (E_RNA)
where:
Base-Base interactions energy: -351.319
where: short stacking energy: -144.553
Base-Backbone interact. energy: -0.798
local terms energy: -160.024783
where:
bonds (distance) C4'-P energy: -30.341
bonds (distance) P-C4' energy: -29.395
flat angles C4'-P-C4' energy: -33.353
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -43.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -490.526115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.526115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.526115 (E_RNA)
where:
Base-Base interactions energy: -357.271
where: short stacking energy: -155.561
Base-Backbone interact. energy: -0.811
local terms energy: -142.444978
where:
bonds (distance) C4'-P energy: -25.044
bonds (distance) P-C4' energy: -23.932
flat angles C4'-P-C4' energy: -30.484
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -44.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -476.524262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.524262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.524262 (E_RNA)
where:
Base-Base interactions energy: -345.499
where: short stacking energy: -146.527
Base-Backbone interact. energy: -0.267
local terms energy: -140.758652
where:
bonds (distance) C4'-P energy: -23.218
bonds (distance) P-C4' energy: -19.969
flat angles C4'-P-C4' energy: -27.237
flat angles P-C4'-P energy: -24.746
tors. eta vs tors. theta energy: -45.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -475.044471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.044471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.044471 (E_RNA)
where:
Base-Base interactions energy: -344.851
where: short stacking energy: -138.765
Base-Backbone interact. energy: -0.132
local terms energy: -140.061790
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -30.278
flat angles C4'-P-C4' energy: -30.024
flat angles P-C4'-P energy: -19.148
tors. eta vs tors. theta energy: -43.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -467.422207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.422207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.422207 (E_RNA)
where:
Base-Base interactions energy: -332.856
where: short stacking energy: -143.975
Base-Backbone interact. energy: -0.204
local terms energy: -144.362586
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -24.317
flat angles C4'-P-C4' energy: -29.223
flat angles P-C4'-P energy: -23.878
tors. eta vs tors. theta energy: -42.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -445.713600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.713600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.713600 (E_RNA)
where:
Base-Base interactions energy: -325.118
where: short stacking energy: -133.137
Base-Backbone interact. energy: -0.058
local terms energy: -130.538035
where:
bonds (distance) C4'-P energy: -20.627
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -28.844
flat angles P-C4'-P energy: -21.417
tors. eta vs tors. theta energy: -39.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -415.436289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.436289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.436289 (E_RNA)
where:
Base-Base interactions energy: -301.064
where: short stacking energy: -123.204
Base-Backbone interact. energy: -0.808
local terms energy: -123.565156
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -21.989
flat angles C4'-P-C4' energy: -29.307
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -40.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -436.403518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.403518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.403518 (E_RNA)
where:
Base-Base interactions energy: -314.356
where: short stacking energy: -131.932
Base-Backbone interact. energy: -0.081
local terms energy: -131.966060
where:
bonds (distance) C4'-P energy: -26.131
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -28.567
flat angles P-C4'-P energy: -17.868
tors. eta vs tors. theta energy: -39.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -446.310728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.310728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.310728 (E_RNA)
where:
Base-Base interactions energy: -322.902
where: short stacking energy: -131.062
Base-Backbone interact. energy: -0.824
local terms energy: -132.584513
where:
bonds (distance) C4'-P energy: -25.585
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -28.311
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -46.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -253.722251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.722251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.722251 (E_RNA)
where:
Base-Base interactions energy: -164.405
where: short stacking energy: -67.244
Base-Backbone interact. energy: -0.417
local terms energy: -98.900670
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -21.130
tors. eta vs tors. theta energy: -20.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -488.757100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.757100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.757100 (E_RNA)
where:
Base-Base interactions energy: -349.583
where: short stacking energy: -140.919
Base-Backbone interact. energy: -0.370
local terms energy: -148.804087
where:
bonds (distance) C4'-P energy: -28.886
bonds (distance) P-C4' energy: -23.290
flat angles C4'-P-C4' energy: -31.548
flat angles P-C4'-P energy: -19.011
tors. eta vs tors. theta energy: -46.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -490.857659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.857659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.857659 (E_RNA)
where:
Base-Base interactions energy: -351.198
where: short stacking energy: -151.616
Base-Backbone interact. energy: -0.102
local terms energy: -149.557849
where:
bonds (distance) C4'-P energy: -22.534
bonds (distance) P-C4' energy: -26.957
flat angles C4'-P-C4' energy: -30.847
flat angles P-C4'-P energy: -23.452
tors. eta vs tors. theta energy: -45.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -484.780890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.780890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.780890 (E_RNA)
where:
Base-Base interactions energy: -349.302
where: short stacking energy: -155.320
Base-Backbone interact. energy: -0.005
local terms energy: -145.474213
where:
bonds (distance) C4'-P energy: -26.250
bonds (distance) P-C4' energy: -28.398
flat angles C4'-P-C4' energy: -24.771
flat angles P-C4'-P energy: -20.074
tors. eta vs tors. theta energy: -45.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -467.622607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.622607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.622607 (E_RNA)
where:
Base-Base interactions energy: -333.894
where: short stacking energy: -129.354
Base-Backbone interact. energy: -0.102
local terms energy: -143.626383
where:
bonds (distance) C4'-P energy: -28.556
bonds (distance) P-C4' energy: -25.651
flat angles C4'-P-C4' energy: -27.222
flat angles P-C4'-P energy: -24.124
tors. eta vs tors. theta energy: -38.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -463.603420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.603420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.603420 (E_RNA)
where:
Base-Base interactions energy: -331.341
where: short stacking energy: -130.678
Base-Backbone interact. energy: -0.811
local terms energy: -141.451662
where:
bonds (distance) C4'-P energy: -26.221
bonds (distance) P-C4' energy: -25.635
flat angles C4'-P-C4' energy: -31.942
flat angles P-C4'-P energy: -20.665
tors. eta vs tors. theta energy: -36.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -459.420475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.420475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.420475 (E_RNA)
where:
Base-Base interactions energy: -333.782
where: short stacking energy: -134.426
Base-Backbone interact. energy: -0.086
local terms energy: -135.552317
where:
bonds (distance) C4'-P energy: -25.769
bonds (distance) P-C4' energy: -23.296
flat angles C4'-P-C4' energy: -25.996
flat angles P-C4'-P energy: -20.713
tors. eta vs tors. theta energy: -39.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -448.646555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.646555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.646555 (E_RNA)
where:
Base-Base interactions energy: -326.137
where: short stacking energy: -132.345
Base-Backbone interact. energy: -0.442
local terms energy: -132.068038
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -22.648
flat angles C4'-P-C4' energy: -28.975
flat angles P-C4'-P energy: -18.114
tors. eta vs tors. theta energy: -43.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -418.490031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.490031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.490031 (E_RNA)
where:
Base-Base interactions energy: -298.940
where: short stacking energy: -120.956
Base-Backbone interact. energy: -0.757
local terms energy: -128.793498
where:
bonds (distance) C4'-P energy: -24.542
bonds (distance) P-C4' energy: -23.525
flat angles C4'-P-C4' energy: -25.299
flat angles P-C4'-P energy: -20.714
tors. eta vs tors. theta energy: -34.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -422.595228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.595228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.595228 (E_RNA)
where:
Base-Base interactions energy: -305.547
where: short stacking energy: -122.318
Base-Backbone interact. energy: -0.879
local terms energy: -126.168842
where:
bonds (distance) C4'-P energy: -21.231
bonds (distance) P-C4' energy: -20.716
flat angles C4'-P-C4' energy: -25.219
flat angles P-C4'-P energy: -17.255
tors. eta vs tors. theta energy: -41.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -289.533492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.533492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.533492 (E_RNA)
where:
Base-Base interactions energy: -196.027
where: short stacking energy: -80.339
Base-Backbone interact. energy: -0.415
local terms energy: -103.091554
where:
bonds (distance) C4'-P energy: -20.512
bonds (distance) P-C4' energy: -23.530
flat angles C4'-P-C4' energy: -22.906
flat angles P-C4'-P energy: -18.262
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -490.738432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.738432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.738432 (E_RNA)
where:
Base-Base interactions energy: -354.780
where: short stacking energy: -151.100
Base-Backbone interact. energy: -0.380
local terms energy: -145.578885
where:
bonds (distance) C4'-P energy: -25.066
bonds (distance) P-C4' energy: -28.341
flat angles C4'-P-C4' energy: -28.419
flat angles P-C4'-P energy: -20.010
tors. eta vs tors. theta energy: -43.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -488.866156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.866156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.866156 (E_RNA)
where:
Base-Base interactions energy: -342.265
where: short stacking energy: -134.607
Base-Backbone interact. energy: -0.897
local terms energy: -155.704330
where:
bonds (distance) C4'-P energy: -32.510
bonds (distance) P-C4' energy: -32.111
flat angles C4'-P-C4' energy: -28.539
flat angles P-C4'-P energy: -20.643
tors. eta vs tors. theta energy: -41.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -484.285578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.285578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.285578 (E_RNA)
where:
Base-Base interactions energy: -351.377
where: short stacking energy: -143.616
Base-Backbone interact. energy: -0.112
local terms energy: -142.796631
where:
bonds (distance) C4'-P energy: -24.624
bonds (distance) P-C4' energy: -26.720
flat angles C4'-P-C4' energy: -25.062
flat angles P-C4'-P energy: -22.485
tors. eta vs tors. theta energy: -43.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -474.484876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.484876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.484876 (E_RNA)
where:
Base-Base interactions energy: -337.847
where: short stacking energy: -142.056
Base-Backbone interact. energy: -0.002
local terms energy: -146.635618
where:
bonds (distance) C4'-P energy: -28.183
bonds (distance) P-C4' energy: -19.533
flat angles C4'-P-C4' energy: -34.769
flat angles P-C4'-P energy: -20.449
tors. eta vs tors. theta energy: -43.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -449.998981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.998981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.998981 (E_RNA)
where:
Base-Base interactions energy: -326.102
where: short stacking energy: -133.962
Base-Backbone interact. energy: -0.112
local terms energy: -133.785349
where:
bonds (distance) C4'-P energy: -24.051
bonds (distance) P-C4' energy: -21.208
flat angles C4'-P-C4' energy: -29.081
flat angles P-C4'-P energy: -19.017
tors. eta vs tors. theta energy: -40.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -456.178849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.178849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.178849 (E_RNA)
where:
Base-Base interactions energy: -326.148
where: short stacking energy: -132.543
Base-Backbone interact. energy: -0.141
local terms energy: -139.889437
where:
bonds (distance) C4'-P energy: -24.601
bonds (distance) P-C4' energy: -24.070
flat angles C4'-P-C4' energy: -28.383
flat angles P-C4'-P energy: -19.128
tors. eta vs tors. theta energy: -43.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -456.587273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.587273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.587273 (E_RNA)
where:
Base-Base interactions energy: -325.573
where: short stacking energy: -139.239
Base-Backbone interact. energy: -0.008
local terms energy: -141.006648
where:
bonds (distance) C4'-P energy: -25.502
bonds (distance) P-C4' energy: -24.487
flat angles C4'-P-C4' energy: -30.582
flat angles P-C4'-P energy: -16.268
tors. eta vs tors. theta energy: -44.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -435.257972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.257972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.257972 (E_RNA)
where:
Base-Base interactions energy: -329.022
where: short stacking energy: -138.781
Base-Backbone interact. energy: -0.737
local terms energy: -115.499364
where:
bonds (distance) C4'-P energy: -15.812
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -29.941
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -41.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -448.421620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.421620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.421620 (E_RNA)
where:
Base-Base interactions energy: -323.345
where: short stacking energy: -126.902
Base-Backbone interact. energy: -0.320
local terms energy: -134.757173
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -25.953
flat angles C4'-P-C4' energy: -27.141
flat angles P-C4'-P energy: -17.648
tors. eta vs tors. theta energy: -40.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -232.961252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.961252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.961252 (E_RNA)
where:
Base-Base interactions energy: -148.712
where: short stacking energy: -66.464
Base-Backbone interact. energy: -0.401
local terms energy: -93.848333
where:
bonds (distance) C4'-P energy: -21.307
bonds (distance) P-C4' energy: -25.613
flat angles C4'-P-C4' energy: -24.303
flat angles P-C4'-P energy: -11.654
tors. eta vs tors. theta energy: -10.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -489.623615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.623615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.623615 (E_RNA)
where:
Base-Base interactions energy: -355.826
where: short stacking energy: -148.163
Base-Backbone interact. energy: -0.177
local terms energy: -143.620400
where:
bonds (distance) C4'-P energy: -25.721
bonds (distance) P-C4' energy: -24.877
flat angles C4'-P-C4' energy: -29.885
flat angles P-C4'-P energy: -21.197
tors. eta vs tors. theta energy: -41.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -495.899295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.899295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.899295 (E_RNA)
where:
Base-Base interactions energy: -355.860
where: short stacking energy: -147.376
Base-Backbone interact. energy: -0.119
local terms energy: -149.920472
where:
bonds (distance) C4'-P energy: -25.985
bonds (distance) P-C4' energy: -24.425
flat angles C4'-P-C4' energy: -32.505
flat angles P-C4'-P energy: -22.158
tors. eta vs tors. theta energy: -44.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -498.304042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.304042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.304042 (E_RNA)
where:
Base-Base interactions energy: -357.530
where: short stacking energy: -147.177
Base-Backbone interact. energy: -0.286
local terms energy: -150.487897
where:
bonds (distance) C4'-P energy: -28.087
bonds (distance) P-C4' energy: -22.511
flat angles C4'-P-C4' energy: -32.169
flat angles P-C4'-P energy: -22.377
tors. eta vs tors. theta energy: -45.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -471.658844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.658844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.658844 (E_RNA)
where:
Base-Base interactions energy: -341.559
where: short stacking energy: -139.991
Base-Backbone interact. energy: -0.343
local terms energy: -139.757118
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -27.278
flat angles C4'-P-C4' energy: -28.391
flat angles P-C4'-P energy: -20.633
tors. eta vs tors. theta energy: -44.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -465.959316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.959316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.959316 (E_RNA)
where:
Base-Base interactions energy: -334.973
where: short stacking energy: -134.463
Base-Backbone interact. energy: -0.172
local terms energy: -140.814298
where:
bonds (distance) C4'-P energy: -22.094
bonds (distance) P-C4' energy: -27.152
flat angles C4'-P-C4' energy: -23.933
flat angles P-C4'-P energy: -24.625
tors. eta vs tors. theta energy: -43.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -469.554923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.554923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.554923 (E_RNA)
where:
Base-Base interactions energy: -329.912
where: short stacking energy: -135.628
Base-Backbone interact. energy: -1.842
local terms energy: -147.800710
where:
bonds (distance) C4'-P energy: -21.311
bonds (distance) P-C4' energy: -29.312
flat angles C4'-P-C4' energy: -28.956
flat angles P-C4'-P energy: -23.564
tors. eta vs tors. theta energy: -44.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -447.732423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.732423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.732423 (E_RNA)
where:
Base-Base interactions energy: -325.734
where: short stacking energy: -135.665
Base-Backbone interact. energy: -0.151
local terms energy: -131.847048
where:
bonds (distance) C4'-P energy: -20.376
bonds (distance) P-C4' energy: -23.691
flat angles C4'-P-C4' energy: -28.046
flat angles P-C4'-P energy: -20.166
tors. eta vs tors. theta energy: -39.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -434.498565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.498565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.498565 (E_RNA)
where:
Base-Base interactions energy: -321.356
where: short stacking energy: -137.978
Base-Backbone interact. energy: -0.015
local terms energy: -123.128353
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -17.718
flat angles C4'-P-C4' energy: -25.891
flat angles P-C4'-P energy: -18.770
tors. eta vs tors. theta energy: -38.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -432.536645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.536645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.536645 (E_RNA)
where:
Base-Base interactions energy: -317.239
where: short stacking energy: -134.351
Base-Backbone interact. energy: -0.633
local terms energy: -124.664804
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -24.263
flat angles C4'-P-C4' energy: -23.198
flat angles P-C4'-P energy: -15.613
tors. eta vs tors. theta energy: -44.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -212.474642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.474642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.474642 (E_RNA)
where:
Base-Base interactions energy: -136.716
where: short stacking energy: -69.994
Base-Backbone interact. energy: -0.304
local terms energy: -85.454486
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -28.355
flat angles C4'-P-C4' energy: -17.963
flat angles P-C4'-P energy: -16.152
tors. eta vs tors. theta energy: -10.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -498.581372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.581372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.581372 (E_RNA)
where:
Base-Base interactions energy: -362.821
where: short stacking energy: -149.320
Base-Backbone interact. energy: -0.116
local terms energy: -145.644580
where:
bonds (distance) C4'-P energy: -25.463
bonds (distance) P-C4' energy: -28.600
flat angles C4'-P-C4' energy: -28.645
flat angles P-C4'-P energy: -17.524
tors. eta vs tors. theta energy: -45.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -498.673869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.673869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.673869 (E_RNA)
where:
Base-Base interactions energy: -351.904
where: short stacking energy: -152.049
Base-Backbone interact. energy: -0.000
local terms energy: -156.769828
where:
bonds (distance) C4'-P energy: -26.955
bonds (distance) P-C4' energy: -26.435
flat angles C4'-P-C4' energy: -32.435
flat angles P-C4'-P energy: -23.221
tors. eta vs tors. theta energy: -47.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -483.300844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.300844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.300844 (E_RNA)
where:
Base-Base interactions energy: -352.346
where: short stacking energy: -146.738
Base-Backbone interact. energy: -0.004
local terms energy: -140.950150
where:
bonds (distance) C4'-P energy: -25.293
bonds (distance) P-C4' energy: -23.698
flat angles C4'-P-C4' energy: -29.574
flat angles P-C4'-P energy: -17.740
tors. eta vs tors. theta energy: -44.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -474.880520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.880520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.880520 (E_RNA)
where:
Base-Base interactions energy: -340.990
where: short stacking energy: -144.668
Base-Backbone interact. energy: -0.009
local terms energy: -143.881558
where:
bonds (distance) C4'-P energy: -22.821
bonds (distance) P-C4' energy: -25.319
flat angles C4'-P-C4' energy: -25.988
flat angles P-C4'-P energy: -23.743
tors. eta vs tors. theta energy: -46.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -460.230041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.230041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.230041 (E_RNA)
where:
Base-Base interactions energy: -327.721
where: short stacking energy: -138.288
Base-Backbone interact. energy: -0.378
local terms energy: -142.130503
where:
bonds (distance) C4'-P energy: -26.209
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -28.553
flat angles P-C4'-P energy: -17.496
tors. eta vs tors. theta energy: -44.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -453.934999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.934999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.934999 (E_RNA)
where:
Base-Base interactions energy: -329.759
where: short stacking energy: -138.705
Base-Backbone interact. energy: -1.447
local terms energy: -132.729130
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -24.305
flat angles C4'-P-C4' energy: -32.117
flat angles P-C4'-P energy: -18.624
tors. eta vs tors. theta energy: -40.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -454.973489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.973489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.973489 (E_RNA)
where:
Base-Base interactions energy: -321.303
where: short stacking energy: -139.546
Base-Backbone interact. energy: -0.264
local terms energy: -143.405916
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -26.317
flat angles C4'-P-C4' energy: -32.741
flat angles P-C4'-P energy: -24.120
tors. eta vs tors. theta energy: -46.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -443.803180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.803180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.803180 (E_RNA)
where:
Base-Base interactions energy: -327.005
where: short stacking energy: -132.682
Base-Backbone interact. energy: 0.111
local terms energy: -126.909777
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -31.593
flat angles P-C4'-P energy: -17.178
tors. eta vs tors. theta energy: -42.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -418.665932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.665932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.665932 (E_RNA)
where:
Base-Base interactions energy: -288.554
where: short stacking energy: -125.608
Base-Backbone interact. energy: -0.076
local terms energy: -140.036655
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -29.656
flat angles C4'-P-C4' energy: -31.043
flat angles P-C4'-P energy: -24.553
tors. eta vs tors. theta energy: -41.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -231.962126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.962126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.962126 (E_RNA)
where:
Base-Base interactions energy: -151.912
where: short stacking energy: -77.417
Base-Backbone interact. energy: 0.014
local terms energy: -90.063399
where:
bonds (distance) C4'-P energy: -13.407
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -26.946
flat angles P-C4'-P energy: -13.769
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -498.093670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.093670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.093670 (E_RNA)
where:
Base-Base interactions energy: -348.295
where: short stacking energy: -150.297
Base-Backbone interact. energy: -0.669
local terms energy: -159.129737
where:
bonds (distance) C4'-P energy: -26.349
bonds (distance) P-C4' energy: -28.269
flat angles C4'-P-C4' energy: -32.417
flat angles P-C4'-P energy: -23.800
tors. eta vs tors. theta energy: -48.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -492.466296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.466296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.466296 (E_RNA)
where:
Base-Base interactions energy: -349.836
where: short stacking energy: -147.355
Base-Backbone interact. energy: -0.076
local terms energy: -152.554957
where:
bonds (distance) C4'-P energy: -28.012
bonds (distance) P-C4' energy: -27.927
flat angles C4'-P-C4' energy: -28.141
flat angles P-C4'-P energy: -25.671
tors. eta vs tors. theta energy: -42.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -482.523113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.523113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.523113 (E_RNA)
where:
Base-Base interactions energy: -349.825
where: short stacking energy: -150.127
Base-Backbone interact. energy: -0.523
local terms energy: -142.175511
where:
bonds (distance) C4'-P energy: -29.366
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -29.573
flat angles P-C4'-P energy: -23.201
tors. eta vs tors. theta energy: -44.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -468.456128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.456128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.456128 (E_RNA)
where:
Base-Base interactions energy: -334.465
where: short stacking energy: -140.168
Base-Backbone interact. energy: -1.093
local terms energy: -142.897933
where:
bonds (distance) C4'-P energy: -26.476
bonds (distance) P-C4' energy: -22.794
flat angles C4'-P-C4' energy: -31.758
flat angles P-C4'-P energy: -21.348
tors. eta vs tors. theta energy: -40.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -463.909639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.909639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.909639 (E_RNA)
where:
Base-Base interactions energy: -333.983
where: short stacking energy: -145.013
Base-Backbone interact. energy: -0.292
local terms energy: -139.634336
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -26.375
flat angles C4'-P-C4' energy: -32.440
flat angles P-C4'-P energy: -19.627
tors. eta vs tors. theta energy: -43.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -452.712543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.712543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.712543 (E_RNA)
where:
Base-Base interactions energy: -323.092
where: short stacking energy: -139.445
Base-Backbone interact. energy: 0.002
local terms energy: -139.622494
where:
bonds (distance) C4'-P energy: -25.956
bonds (distance) P-C4' energy: -19.892
flat angles C4'-P-C4' energy: -28.453
flat angles P-C4'-P energy: -24.288
tors. eta vs tors. theta energy: -41.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -443.179605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.179605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.179605 (E_RNA)
where:
Base-Base interactions energy: -322.689
where: short stacking energy: -133.440
Base-Backbone interact. energy: -0.185
local terms energy: -130.306090
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -29.116
flat angles P-C4'-P energy: -19.692
tors. eta vs tors. theta energy: -38.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -428.635392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.635392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.635392 (E_RNA)
where:
Base-Base interactions energy: -306.645
where: short stacking energy: -121.267
Base-Backbone interact. energy: 2.275
local terms energy: -134.264640
where:
bonds (distance) C4'-P energy: -21.835
bonds (distance) P-C4' energy: -27.913
flat angles C4'-P-C4' energy: -27.310
flat angles P-C4'-P energy: -20.964
tors. eta vs tors. theta energy: -36.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -425.526936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.526936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.526936 (E_RNA)
where:
Base-Base interactions energy: -317.564
where: short stacking energy: -128.317
Base-Backbone interact. energy: 0.268
local terms energy: -118.231207
where:
bonds (distance) C4'-P energy: -18.890
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -25.064
flat angles P-C4'-P energy: -15.917
tors. eta vs tors. theta energy: -36.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -227.061055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.061055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.061055 (E_RNA)
where:
Base-Base interactions energy: -148.851
where: short stacking energy: -74.107
Base-Backbone interact. energy: -0.362
local terms energy: -87.847978
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -28.420
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -14.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -491.956245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.956245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.956245 (E_RNA)
where:
Base-Base interactions energy: -351.074
where: short stacking energy: -146.498
Base-Backbone interact. energy: -0.006
local terms energy: -150.876402
where:
bonds (distance) C4'-P energy: -27.312
bonds (distance) P-C4' energy: -22.687
flat angles C4'-P-C4' energy: -30.948
flat angles P-C4'-P energy: -27.264
tors. eta vs tors. theta energy: -42.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -487.513607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.513607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.513607 (E_RNA)
where:
Base-Base interactions energy: -350.614
where: short stacking energy: -153.900
Base-Backbone interact. energy: -0.005
local terms energy: -146.894018
where:
bonds (distance) C4'-P energy: -24.138
bonds (distance) P-C4' energy: -24.094
flat angles C4'-P-C4' energy: -32.300
flat angles P-C4'-P energy: -20.875
tors. eta vs tors. theta energy: -45.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -473.092013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.092013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.092013 (E_RNA)
where:
Base-Base interactions energy: -336.597
where: short stacking energy: -128.739
Base-Backbone interact. energy: -0.085
local terms energy: -146.409641
where:
bonds (distance) C4'-P energy: -26.573
bonds (distance) P-C4' energy: -31.194
flat angles C4'-P-C4' energy: -26.218
flat angles P-C4'-P energy: -24.398
tors. eta vs tors. theta energy: -38.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -477.963462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.963462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.963462 (E_RNA)
where:
Base-Base interactions energy: -338.491
where: short stacking energy: -140.993
Base-Backbone interact. energy: -0.001
local terms energy: -149.471692
where:
bonds (distance) C4'-P energy: -24.488
bonds (distance) P-C4' energy: -26.082
flat angles C4'-P-C4' energy: -28.843
flat angles P-C4'-P energy: -21.240
tors. eta vs tors. theta energy: -48.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -455.494369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.494369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.494369 (E_RNA)
where:
Base-Base interactions energy: -329.357
where: short stacking energy: -131.638
Base-Backbone interact. energy: -0.815
local terms energy: -135.322779
where:
bonds (distance) C4'-P energy: -20.683
bonds (distance) P-C4' energy: -27.113
flat angles C4'-P-C4' energy: -28.604
flat angles P-C4'-P energy: -19.822
tors. eta vs tors. theta energy: -39.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -467.399257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.399257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.399257 (E_RNA)
where:
Base-Base interactions energy: -334.162
where: short stacking energy: -146.312
Base-Backbone interact. energy: -0.404
local terms energy: -142.834045
where:
bonds (distance) C4'-P energy: -22.784
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -28.337
flat angles P-C4'-P energy: -24.040
tors. eta vs tors. theta energy: -44.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -457.268984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.268984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.268984 (E_RNA)
where:
Base-Base interactions energy: -327.525
where: short stacking energy: -142.388
Base-Backbone interact. energy: -0.603
local terms energy: -139.140335
where:
bonds (distance) C4'-P energy: -26.965
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -24.809
flat angles P-C4'-P energy: -17.557
tors. eta vs tors. theta energy: -43.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -426.988509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.988509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.988509 (E_RNA)
where:
Base-Base interactions energy: -300.209
where: short stacking energy: -127.514
Base-Backbone interact. energy: -0.070
local terms energy: -136.709830
where:
bonds (distance) C4'-P energy: -25.763
bonds (distance) P-C4' energy: -22.871
flat angles C4'-P-C4' energy: -24.924
flat angles P-C4'-P energy: -22.160
tors. eta vs tors. theta energy: -40.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -429.830228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.830228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.830228 (E_RNA)
where:
Base-Base interactions energy: -309.982
where: short stacking energy: -128.099
Base-Backbone interact. energy: -0.854
local terms energy: -128.994376
where:
bonds (distance) C4'-P energy: -19.261
bonds (distance) P-C4' energy: -23.163
flat angles C4'-P-C4' energy: -26.903
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: -41.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -230.864247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.864247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.864247 (E_RNA)
where:
Base-Base interactions energy: -139.586
where: short stacking energy: -63.234
Base-Backbone interact. energy: -0.064
local terms energy: -101.214708
where:
bonds (distance) C4'-P energy: -22.611
bonds (distance) P-C4' energy: -26.351
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -18.173
tors. eta vs tors. theta energy: -12.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -503.675125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.675125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.675125 (E_RNA)
where:
Base-Base interactions energy: -359.683
where: short stacking energy: -152.038
Base-Backbone interact. energy: -0.796
local terms energy: -153.195769
where:
bonds (distance) C4'-P energy: -24.938
bonds (distance) P-C4' energy: -31.645
flat angles C4'-P-C4' energy: -29.086
flat angles P-C4'-P energy: -19.856
tors. eta vs tors. theta energy: -47.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -485.866608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.866608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.866608 (E_RNA)
where:
Base-Base interactions energy: -338.593
where: short stacking energy: -138.267
Base-Backbone interact. energy: -0.415
local terms energy: -156.858592
where:
bonds (distance) C4'-P energy: -27.942
bonds (distance) P-C4' energy: -27.307
flat angles C4'-P-C4' energy: -35.104
flat angles P-C4'-P energy: -22.551
tors. eta vs tors. theta energy: -43.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -481.628994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.628994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.628994 (E_RNA)
where:
Base-Base interactions energy: -354.410
where: short stacking energy: -147.916
Base-Backbone interact. energy: -0.584
local terms energy: -136.634165
where:
bonds (distance) C4'-P energy: -21.011
bonds (distance) P-C4' energy: -24.934
flat angles C4'-P-C4' energy: -29.795
flat angles P-C4'-P energy: -16.265
tors. eta vs tors. theta energy: -44.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -470.536608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.536608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.536608 (E_RNA)
where:
Base-Base interactions energy: -328.169
where: short stacking energy: -134.974
Base-Backbone interact. energy: 0.857
local terms energy: -153.224844
where:
bonds (distance) C4'-P energy: -23.360
bonds (distance) P-C4' energy: -30.140
flat angles C4'-P-C4' energy: -32.690
flat angles P-C4'-P energy: -21.548
tors. eta vs tors. theta energy: -45.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -455.803873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.803873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.803873 (E_RNA)
where:
Base-Base interactions energy: -332.514
where: short stacking energy: -134.836
Base-Backbone interact. energy: -0.424
local terms energy: -132.865503
where:
bonds (distance) C4'-P energy: -21.563
bonds (distance) P-C4' energy: -21.974
flat angles C4'-P-C4' energy: -30.990
flat angles P-C4'-P energy: -19.477
tors. eta vs tors. theta energy: -38.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -478.479865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.479865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.479865 (E_RNA)
where:
Base-Base interactions energy: -331.958
where: short stacking energy: -137.480
Base-Backbone interact. energy: -0.051
local terms energy: -156.470867
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -28.749
flat angles C4'-P-C4' energy: -31.962
flat angles P-C4'-P energy: -25.610
tors. eta vs tors. theta energy: -43.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -456.098321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.098321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.098321 (E_RNA)
where:
Base-Base interactions energy: -334.528
where: short stacking energy: -141.906
Base-Backbone interact. energy: -0.058
local terms energy: -131.512206
where:
bonds (distance) C4'-P energy: -10.644
bonds (distance) P-C4' energy: -26.367
flat angles C4'-P-C4' energy: -27.168
flat angles P-C4'-P energy: -22.937
tors. eta vs tors. theta energy: -44.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -429.924275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.924275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.924275 (E_RNA)
where:
Base-Base interactions energy: -320.266
where: short stacking energy: -124.902
Base-Backbone interact. energy: -0.095
local terms energy: -119.563001
where:
bonds (distance) C4'-P energy: -20.373
bonds (distance) P-C4' energy: -20.379
flat angles C4'-P-C4' energy: -24.730
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -33.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -423.701841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.701841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.701841 (E_RNA)
where:
Base-Base interactions energy: -299.680
where: short stacking energy: -123.917
Base-Backbone interact. energy: -0.151
local terms energy: -133.871013
where:
bonds (distance) C4'-P energy: -22.269
bonds (distance) P-C4' energy: -29.212
flat angles C4'-P-C4' energy: -22.987
flat angles P-C4'-P energy: -19.969
tors. eta vs tors. theta energy: -39.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -212.132136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.132136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.132136 (E_RNA)
where:
Base-Base interactions energy: -129.775
where: short stacking energy: -62.636
Base-Backbone interact. energy: -0.712
local terms energy: -91.644744
where:
bonds (distance) C4'-P energy: -20.966
bonds (distance) P-C4' energy: -22.719
flat angles C4'-P-C4' energy: -22.217
flat angles P-C4'-P energy: -16.843
tors. eta vs tors. theta energy: -8.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -499.305974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.305974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.305974 (E_RNA)
where:
Base-Base interactions energy: -347.560
where: short stacking energy: -146.595
Base-Backbone interact. energy: -0.042
local terms energy: -161.704287
where:
bonds (distance) C4'-P energy: -30.427
bonds (distance) P-C4' energy: -29.176
flat angles C4'-P-C4' energy: -31.443
flat angles P-C4'-P energy: -25.519
tors. eta vs tors. theta energy: -45.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -485.152422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.152422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.152422 (E_RNA)
where:
Base-Base interactions energy: -343.188
where: short stacking energy: -142.042
Base-Backbone interact. energy: -0.079
local terms energy: -151.884959
where:
bonds (distance) C4'-P energy: -26.329
bonds (distance) P-C4' energy: -33.197
flat angles C4'-P-C4' energy: -32.344
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -44.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -479.134427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.134427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.134427 (E_RNA)
where:
Base-Base interactions energy: -342.177
where: short stacking energy: -144.914
Base-Backbone interact. energy: -0.008
local terms energy: -146.949691
where:
bonds (distance) C4'-P energy: -27.543
bonds (distance) P-C4' energy: -28.973
flat angles C4'-P-C4' energy: -30.446
flat angles P-C4'-P energy: -17.915
tors. eta vs tors. theta energy: -42.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -468.255046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.255046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.255046 (E_RNA)
where:
Base-Base interactions energy: -334.545
where: short stacking energy: -134.603
Base-Backbone interact. energy: -0.059
local terms energy: -143.650314
where:
bonds (distance) C4'-P energy: -21.464
bonds (distance) P-C4' energy: -26.459
flat angles C4'-P-C4' energy: -26.921
flat angles P-C4'-P energy: -24.262
tors. eta vs tors. theta energy: -44.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -449.824036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.824036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.824036 (E_RNA)
where:
Base-Base interactions energy: -312.899
where: short stacking energy: -142.303
Base-Backbone interact. energy: -0.062
local terms energy: -146.863081
where:
bonds (distance) C4'-P energy: -24.897
bonds (distance) P-C4' energy: -25.115
flat angles C4'-P-C4' energy: -29.217
flat angles P-C4'-P energy: -25.579
tors. eta vs tors. theta energy: -42.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -458.458023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.458023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.458023 (E_RNA)
where:
Base-Base interactions energy: -334.221
where: short stacking energy: -136.496
Base-Backbone interact. energy: -0.241
local terms energy: -133.996151
where:
bonds (distance) C4'-P energy: -21.485
bonds (distance) P-C4' energy: -21.530
flat angles C4'-P-C4' energy: -27.256
flat angles P-C4'-P energy: -21.659
tors. eta vs tors. theta energy: -42.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -450.214458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.214458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.214458 (E_RNA)
where:
Base-Base interactions energy: -327.600
where: short stacking energy: -138.275
Base-Backbone interact. energy: -0.465
local terms energy: -132.149660
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -31.400
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -44.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -431.982899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.982899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.982899 (E_RNA)
where:
Base-Base interactions energy: -323.207
where: short stacking energy: -130.812
Base-Backbone interact. energy: -0.012
local terms energy: -118.763736
where:
bonds (distance) C4'-P energy: -19.177
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -25.451
flat angles P-C4'-P energy: -19.252
tors. eta vs tors. theta energy: -37.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -426.384207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.384207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.384207 (E_RNA)
where:
Base-Base interactions energy: -312.350
where: short stacking energy: -118.519
Base-Backbone interact. energy: -0.049
local terms energy: -123.985924
where:
bonds (distance) C4'-P energy: -10.545
bonds (distance) P-C4' energy: -22.047
flat angles C4'-P-C4' energy: -28.861
flat angles P-C4'-P energy: -24.238
tors. eta vs tors. theta energy: -38.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -266.392930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.392930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.392930 (E_RNA)
where:
Base-Base interactions energy: -173.249
where: short stacking energy: -80.715
Base-Backbone interact. energy: -1.869
local terms energy: -101.274898
where:
bonds (distance) C4'-P energy: -24.301
bonds (distance) P-C4' energy: -22.421
flat angles C4'-P-C4' energy: -27.256
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -506.412010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.412010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.412010 (E_RNA)
where:
Base-Base interactions energy: -357.889
where: short stacking energy: -149.606
Base-Backbone interact. energy: -0.184
local terms energy: -158.339070
where:
bonds (distance) C4'-P energy: -27.446
bonds (distance) P-C4' energy: -30.436
flat angles C4'-P-C4' energy: -32.278
flat angles P-C4'-P energy: -22.900
tors. eta vs tors. theta energy: -45.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -481.356751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.356751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.356751 (E_RNA)
where:
Base-Base interactions energy: -354.387
where: short stacking energy: -142.485
Base-Backbone interact. energy: -0.099
local terms energy: -136.870134
where:
bonds (distance) C4'-P energy: -24.209
bonds (distance) P-C4' energy: -25.888
flat angles C4'-P-C4' energy: -27.190
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -42.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -482.576696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.576696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.576696 (E_RNA)
where:
Base-Base interactions energy: -356.560
where: short stacking energy: -153.687
Base-Backbone interact. energy: -0.371
local terms energy: -135.646053
where:
bonds (distance) C4'-P energy: -22.234
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -27.820
flat angles P-C4'-P energy: -20.799
tors. eta vs tors. theta energy: -45.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -472.074122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.074122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.074122 (E_RNA)
where:
Base-Base interactions energy: -332.884
where: short stacking energy: -143.305
Base-Backbone interact. energy: -0.284
local terms energy: -148.906519
where:
bonds (distance) C4'-P energy: -27.552
bonds (distance) P-C4' energy: -21.616
flat angles C4'-P-C4' energy: -31.279
flat angles P-C4'-P energy: -24.385
tors. eta vs tors. theta energy: -44.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -437.915490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.915490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.915490 (E_RNA)
where:
Base-Base interactions energy: -313.002
where: short stacking energy: -124.540
Base-Backbone interact. energy: -0.594
local terms energy: -134.319799
where:
bonds (distance) C4'-P energy: -22.318
bonds (distance) P-C4' energy: -27.354
flat angles C4'-P-C4' energy: -30.419
flat angles P-C4'-P energy: -17.372
tors. eta vs tors. theta energy: -36.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -449.271531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.271531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.271531 (E_RNA)
where:
Base-Base interactions energy: -330.804
where: short stacking energy: -144.778
Base-Backbone interact. energy: -0.316
local terms energy: -128.151408
where:
bonds (distance) C4'-P energy: -22.209
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -27.899
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -40.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -458.852271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.852271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.852271 (E_RNA)
where:
Base-Base interactions energy: -329.382
where: short stacking energy: -139.655
Base-Backbone interact. energy: -0.526
local terms energy: -138.944362
where:
bonds (distance) C4'-P energy: -18.081
bonds (distance) P-C4' energy: -29.093
flat angles C4'-P-C4' energy: -30.845
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: -41.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -445.974508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.974508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.974508 (E_RNA)
where:
Base-Base interactions energy: -323.924
where: short stacking energy: -131.667
Base-Backbone interact. energy: -0.376
local terms energy: -131.674410
where:
bonds (distance) C4'-P energy: -25.363
bonds (distance) P-C4' energy: -22.712
flat angles C4'-P-C4' energy: -27.877
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -39.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -429.339264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.339264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.339264 (E_RNA)
where:
Base-Base interactions energy: -316.240
where: short stacking energy: -132.153
Base-Backbone interact. energy: -0.101
local terms energy: -122.998232
where:
bonds (distance) C4'-P energy: -20.176
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -25.583
flat angles P-C4'-P energy: -16.434
tors. eta vs tors. theta energy: -41.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -270.039900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.039900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.039900 (E_RNA)
where:
Base-Base interactions energy: -168.707
where: short stacking energy: -83.317
Base-Backbone interact. energy: -0.107
local terms energy: -111.226212
where:
bonds (distance) C4'-P energy: -25.457
bonds (distance) P-C4' energy: -22.295
flat angles C4'-P-C4' energy: -23.355
flat angles P-C4'-P energy: -20.107
tors. eta vs tors. theta energy: -20.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -501.705146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.705146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.705146 (E_RNA)
where:
Base-Base interactions energy: -364.214
where: short stacking energy: -152.975
Base-Backbone interact. energy: -0.305
local terms energy: -147.186077
where:
bonds (distance) C4'-P energy: -25.724
bonds (distance) P-C4' energy: -25.465
flat angles C4'-P-C4' energy: -29.267
flat angles P-C4'-P energy: -20.294
tors. eta vs tors. theta energy: -46.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -483.225454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.225454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.225454 (E_RNA)
where:
Base-Base interactions energy: -344.743
where: short stacking energy: -146.821
Base-Backbone interact. energy: -0.206
local terms energy: -148.276988
where:
bonds (distance) C4'-P energy: -28.743
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -32.564
flat angles P-C4'-P energy: -21.754
tors. eta vs tors. theta energy: -43.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -479.933575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.933575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.933575 (E_RNA)
where:
Base-Base interactions energy: -343.642
where: short stacking energy: -147.161
Base-Backbone interact. energy: -0.776
local terms energy: -145.515933
where:
bonds (distance) C4'-P energy: -21.997
bonds (distance) P-C4' energy: -23.565
flat angles C4'-P-C4' energy: -30.648
flat angles P-C4'-P energy: -22.403
tors. eta vs tors. theta energy: -46.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -468.222010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.222010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.222010 (E_RNA)
where:
Base-Base interactions energy: -344.638
where: short stacking energy: -128.456
Base-Backbone interact. energy: 0.005
local terms energy: -133.589485
where:
bonds (distance) C4'-P energy: -23.949
bonds (distance) P-C4' energy: -22.767
flat angles C4'-P-C4' energy: -28.899
flat angles P-C4'-P energy: -18.371
tors. eta vs tors. theta energy: -39.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -471.768110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.768110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.768110 (E_RNA)
where:
Base-Base interactions energy: -335.114
where: short stacking energy: -138.373
Base-Backbone interact. energy: -1.471
local terms energy: -145.183162
where:
bonds (distance) C4'-P energy: -30.676
bonds (distance) P-C4' energy: -24.662
flat angles C4'-P-C4' energy: -27.316
flat angles P-C4'-P energy: -20.023
tors. eta vs tors. theta energy: -42.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -467.352164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.352164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.352164 (E_RNA)
where:
Base-Base interactions energy: -336.914
where: short stacking energy: -132.599
Base-Backbone interact. energy: -0.529
local terms energy: -139.909077
where:
bonds (distance) C4'-P energy: -24.002
bonds (distance) P-C4' energy: -26.423
flat angles C4'-P-C4' energy: -26.226
flat angles P-C4'-P energy: -22.431
tors. eta vs tors. theta energy: -40.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -459.663579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.663579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.663579 (E_RNA)
where:
Base-Base interactions energy: -336.876
where: short stacking energy: -135.294
Base-Backbone interact. energy: -0.266
local terms energy: -132.521197
where:
bonds (distance) C4'-P energy: -21.738
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -29.395
flat angles P-C4'-P energy: -22.202
tors. eta vs tors. theta energy: -42.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -438.867675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.867675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.867675 (E_RNA)
where:
Base-Base interactions energy: -315.594
where: short stacking energy: -125.603
Base-Backbone interact. energy: -0.033
local terms energy: -133.240758
where:
bonds (distance) C4'-P energy: -27.871
bonds (distance) P-C4' energy: -21.309
flat angles C4'-P-C4' energy: -28.991
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -41.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -402.819491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.819491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.819491 (E_RNA)
where:
Base-Base interactions energy: -292.769
where: short stacking energy: -124.922
Base-Backbone interact. energy: -0.007
local terms energy: -120.043722
where:
bonds (distance) C4'-P energy: -22.404
bonds (distance) P-C4' energy: -24.722
flat angles C4'-P-C4' energy: -20.573
flat angles P-C4'-P energy: -17.923
tors. eta vs tors. theta energy: -34.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -262.928504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.928504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.928504 (E_RNA)
where:
Base-Base interactions energy: -180.048
where: short stacking energy: -87.711
Base-Backbone interact. energy: -0.837
local terms energy: -92.042990
where:
bonds (distance) C4'-P energy: -27.806
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -501.303521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.303521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.303521 (E_RNA)
where:
Base-Base interactions energy: -360.926
where: short stacking energy: -149.516
Base-Backbone interact. energy: -0.357
local terms energy: -150.020433
where:
bonds (distance) C4'-P energy: -27.889
bonds (distance) P-C4' energy: -27.049
flat angles C4'-P-C4' energy: -31.582
flat angles P-C4'-P energy: -22.482
tors. eta vs tors. theta energy: -41.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -483.588288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.588288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.588288 (E_RNA)
where:
Base-Base interactions energy: -343.402
where: short stacking energy: -144.700
Base-Backbone interact. energy: -0.006
local terms energy: -150.180554
where:
bonds (distance) C4'-P energy: -27.453
bonds (distance) P-C4' energy: -27.579
flat angles C4'-P-C4' energy: -28.378
flat angles P-C4'-P energy: -22.791
tors. eta vs tors. theta energy: -43.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -480.714938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.714938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.714938 (E_RNA)
where:
Base-Base interactions energy: -339.591
where: short stacking energy: -144.952
Base-Backbone interact. energy: -0.973
local terms energy: -150.151448
where:
bonds (distance) C4'-P energy: -23.874
bonds (distance) P-C4' energy: -29.160
flat angles C4'-P-C4' energy: -33.001
flat angles P-C4'-P energy: -18.084
tors. eta vs tors. theta energy: -46.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -467.324852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.324852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.324852 (E_RNA)
where:
Base-Base interactions energy: -333.326
where: short stacking energy: -145.930
Base-Backbone interact. energy: -0.047
local terms energy: -143.951810
where:
bonds (distance) C4'-P energy: -28.220
bonds (distance) P-C4' energy: -21.178
flat angles C4'-P-C4' energy: -27.746
flat angles P-C4'-P energy: -25.239
tors. eta vs tors. theta energy: -41.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -459.230855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.230855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.230855 (E_RNA)
where:
Base-Base interactions energy: -333.139
where: short stacking energy: -136.256
Base-Backbone interact. energy: -0.154
local terms energy: -135.937896
where:
bonds (distance) C4'-P energy: -26.161
bonds (distance) P-C4' energy: -23.371
flat angles C4'-P-C4' energy: -29.461
flat angles P-C4'-P energy: -14.429
tors. eta vs tors. theta energy: -42.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -457.981134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.981134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.981134 (E_RNA)
where:
Base-Base interactions energy: -334.110
where: short stacking energy: -138.293
Base-Backbone interact. energy: -0.155
local terms energy: -133.716121
where:
bonds (distance) C4'-P energy: -23.837
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -27.914
flat angles P-C4'-P energy: -20.521
tors. eta vs tors. theta energy: -42.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -450.646096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.646096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.646096 (E_RNA)
where:
Base-Base interactions energy: -317.982
where: short stacking energy: -133.642
Base-Backbone interact. energy: -0.382
local terms energy: -142.282142
where:
bonds (distance) C4'-P energy: -24.627
bonds (distance) P-C4' energy: -22.946
flat angles C4'-P-C4' energy: -28.695
flat angles P-C4'-P energy: -22.596
tors. eta vs tors. theta energy: -43.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -444.115912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.115912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.115912 (E_RNA)
where:
Base-Base interactions energy: -315.165
where: short stacking energy: -129.432
Base-Backbone interact. energy: -0.140
local terms energy: -138.810991
where:
bonds (distance) C4'-P energy: -24.841
bonds (distance) P-C4' energy: -26.339
flat angles C4'-P-C4' energy: -25.438
flat angles P-C4'-P energy: -19.021
tors. eta vs tors. theta energy: -43.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -421.297510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.297510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.297510 (E_RNA)
where:
Base-Base interactions energy: -308.366
where: short stacking energy: -124.515
Base-Backbone interact. energy: -0.695
local terms energy: -122.236374
where:
bonds (distance) C4'-P energy: -22.208
bonds (distance) P-C4' energy: -14.168
flat angles C4'-P-C4' energy: -30.818
flat angles P-C4'-P energy: -18.240
tors. eta vs tors. theta energy: -36.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -297.280563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.280563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.280563 (E_RNA)
where:
Base-Base interactions energy: -206.812
where: short stacking energy: -101.481
Base-Backbone interact. energy: -0.197
local terms energy: -100.272333
where:
bonds (distance) C4'-P energy: -20.924
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -25.905
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -22.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -491.683463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.683463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.683463 (E_RNA)
where:
Base-Base interactions energy: -355.902
where: short stacking energy: -152.057
Base-Backbone interact. energy: -0.277
local terms energy: -145.504883
where:
bonds (distance) C4'-P energy: -25.165
bonds (distance) P-C4' energy: -23.637
flat angles C4'-P-C4' energy: -30.878
flat angles P-C4'-P energy: -22.962
tors. eta vs tors. theta energy: -42.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -496.069338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.069338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.069338 (E_RNA)
where:
Base-Base interactions energy: -348.624
where: short stacking energy: -145.211
Base-Backbone interact. energy: -0.123
local terms energy: -157.322460
where:
bonds (distance) C4'-P energy: -28.870
bonds (distance) P-C4' energy: -25.099
flat angles C4'-P-C4' energy: -32.796
flat angles P-C4'-P energy: -24.418
tors. eta vs tors. theta energy: -46.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -480.424877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.424877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.424877 (E_RNA)
where:
Base-Base interactions energy: -346.196
where: short stacking energy: -153.876
Base-Backbone interact. energy: -0.280
local terms energy: -143.948208
where:
bonds (distance) C4'-P energy: -24.740
bonds (distance) P-C4' energy: -23.764
flat angles C4'-P-C4' energy: -28.642
flat angles P-C4'-P energy: -21.812
tors. eta vs tors. theta energy: -44.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -470.703632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.703632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.703632 (E_RNA)
where:
Base-Base interactions energy: -335.931
where: short stacking energy: -135.391
Base-Backbone interact. energy: -0.227
local terms energy: -144.545503
where:
bonds (distance) C4'-P energy: -22.640
bonds (distance) P-C4' energy: -26.982
flat angles C4'-P-C4' energy: -30.653
flat angles P-C4'-P energy: -23.744
tors. eta vs tors. theta energy: -40.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -449.509758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.509758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.509758 (E_RNA)
where:
Base-Base interactions energy: -317.583
where: short stacking energy: -133.509
Base-Backbone interact. energy: -0.134
local terms energy: -141.792676
where:
bonds (distance) C4'-P energy: -27.731
bonds (distance) P-C4' energy: -27.748
flat angles C4'-P-C4' energy: -25.609
flat angles P-C4'-P energy: -21.311
tors. eta vs tors. theta energy: -39.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -435.130531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.130531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.130531 (E_RNA)
where:
Base-Base interactions energy: -315.495
where: short stacking energy: -126.621
Base-Backbone interact. energy: -0.183
local terms energy: -129.452399
where:
bonds (distance) C4'-P energy: -25.833
bonds (distance) P-C4' energy: -23.378
flat angles C4'-P-C4' energy: -29.817
flat angles P-C4'-P energy: -19.426
tors. eta vs tors. theta energy: -30.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -438.104104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.104104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.104104 (E_RNA)
where:
Base-Base interactions energy: -318.533
where: short stacking energy: -135.898
Base-Backbone interact. energy: 0.084
local terms energy: -129.654888
where:
bonds (distance) C4'-P energy: -19.932
bonds (distance) P-C4' energy: -28.495
flat angles C4'-P-C4' energy: -22.229
flat angles P-C4'-P energy: -14.510
tors. eta vs tors. theta energy: -44.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -438.497043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.497043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.497043 (E_RNA)
where:
Base-Base interactions energy: -316.661
where: short stacking energy: -141.753
Base-Backbone interact. energy: -0.249
local terms energy: -131.587473
where:
bonds (distance) C4'-P energy: -20.003
bonds (distance) P-C4' energy: -26.442
flat angles C4'-P-C4' energy: -26.613
flat angles P-C4'-P energy: -15.865
tors. eta vs tors. theta energy: -42.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -399.285479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.285479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.285479 (E_RNA)
where:
Base-Base interactions energy: -283.968
where: short stacking energy: -121.125
Base-Backbone interact. energy: -0.075
local terms energy: -125.242219
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -31.699
flat angles P-C4'-P energy: -16.419
tors. eta vs tors. theta energy: -40.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -257.051763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.051763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.051763 (E_RNA)
where:
Base-Base interactions energy: -161.704
where: short stacking energy: -68.022
Base-Backbone interact. energy: -0.160
local terms energy: -105.187785
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -30.885
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -18.551
tors. eta vs tors. theta energy: -18.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -499.743609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.743609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.743609 (E_RNA)
where:
Base-Base interactions energy: -356.036
where: short stacking energy: -157.457
Base-Backbone interact. energy: -0.002
local terms energy: -153.705873
where:
bonds (distance) C4'-P energy: -28.114
bonds (distance) P-C4' energy: -25.511
flat angles C4'-P-C4' energy: -31.277
flat angles P-C4'-P energy: -24.184
tors. eta vs tors. theta energy: -44.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -483.324022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.324022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.324022 (E_RNA)
where:
Base-Base interactions energy: -342.516
where: short stacking energy: -148.274
Base-Backbone interact. energy: -0.003
local terms energy: -150.805796
where:
bonds (distance) C4'-P energy: -23.314
bonds (distance) P-C4' energy: -28.024
flat angles C4'-P-C4' energy: -29.481
flat angles P-C4'-P energy: -21.515
tors. eta vs tors. theta energy: -48.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -463.461274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.461274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.461274 (E_RNA)
where:
Base-Base interactions energy: -327.954
where: short stacking energy: -132.280
Base-Backbone interact. energy: -0.196
local terms energy: -145.310986
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -26.132
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -22.765
tors. eta vs tors. theta energy: -40.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -462.046158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.046158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.046158 (E_RNA)
where:
Base-Base interactions energy: -324.818
where: short stacking energy: -128.746
Base-Backbone interact. energy: -0.737
local terms energy: -146.490893
where:
bonds (distance) C4'-P energy: -26.838
bonds (distance) P-C4' energy: -31.887
flat angles C4'-P-C4' energy: -30.700
flat angles P-C4'-P energy: -19.539
tors. eta vs tors. theta energy: -37.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -465.835984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.835984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.835984 (E_RNA)
where:
Base-Base interactions energy: -338.445
where: short stacking energy: -141.762
Base-Backbone interact. energy: -0.096
local terms energy: -137.294584
where:
bonds (distance) C4'-P energy: -25.450
bonds (distance) P-C4' energy: -22.698
flat angles C4'-P-C4' energy: -27.808
flat angles P-C4'-P energy: -19.153
tors. eta vs tors. theta energy: -42.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -458.357357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.357357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.357357 (E_RNA)
where:
Base-Base interactions energy: -328.656
where: short stacking energy: -141.585
Base-Backbone interact. energy: -0.039
local terms energy: -139.662634
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -26.270
flat angles C4'-P-C4' energy: -29.404
flat angles P-C4'-P energy: -19.126
tors. eta vs tors. theta energy: -42.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -427.321200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.321200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.321200 (E_RNA)
where:
Base-Base interactions energy: -304.242
where: short stacking energy: -120.518
Base-Backbone interact. energy: -0.377
local terms energy: -132.702428
where:
bonds (distance) C4'-P energy: -21.270
bonds (distance) P-C4' energy: -27.561
flat angles C4'-P-C4' energy: -27.873
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: -37.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -436.090131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.090131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.090131 (E_RNA)
where:
Base-Base interactions energy: -322.350
where: short stacking energy: -145.316
Base-Backbone interact. energy: -0.464
local terms energy: -123.276237
where:
bonds (distance) C4'-P energy: -19.656
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -24.873
flat angles P-C4'-P energy: -20.693
tors. eta vs tors. theta energy: -38.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -402.896662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.896662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.896662 (E_RNA)
where:
Base-Base interactions energy: -284.560
where: short stacking energy: -121.945
Base-Backbone interact. energy: -1.150
local terms energy: -127.186432
where:
bonds (distance) C4'-P energy: -23.184
bonds (distance) P-C4' energy: -23.645
flat angles C4'-P-C4' energy: -29.266
flat angles P-C4'-P energy: -18.601
tors. eta vs tors. theta energy: -32.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -219.118986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.118986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.118986 (E_RNA)
where:
Base-Base interactions energy: -133.740
where: short stacking energy: -61.123
Base-Backbone interact. energy: -1.555
local terms energy: -93.824559
where:
bonds (distance) C4'-P energy: -25.368
bonds (distance) P-C4' energy: -26.281
flat angles C4'-P-C4' energy: -24.409
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -1.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -494.214181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.214181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.214181 (E_RNA)
where:
Base-Base interactions energy: -355.568
where: short stacking energy: -152.449
Base-Backbone interact. energy: -0.068
local terms energy: -148.578888
where:
bonds (distance) C4'-P energy: -24.952
bonds (distance) P-C4' energy: -27.842
flat angles C4'-P-C4' energy: -29.212
flat angles P-C4'-P energy: -21.894
tors. eta vs tors. theta energy: -44.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -492.618390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.618390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.618390 (E_RNA)
where:
Base-Base interactions energy: -354.605
where: short stacking energy: -150.088
Base-Backbone interact. energy: -0.734
local terms energy: -147.278858
where:
bonds (distance) C4'-P energy: -25.775
bonds (distance) P-C4' energy: -24.421
flat angles C4'-P-C4' energy: -31.391
flat angles P-C4'-P energy: -21.304
tors. eta vs tors. theta energy: -44.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -478.623019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.623019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.623019 (E_RNA)
where:
Base-Base interactions energy: -345.880
where: short stacking energy: -152.409
Base-Backbone interact. energy: 0.373
local terms energy: -143.115526
where:
bonds (distance) C4'-P energy: -30.353
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -30.949
flat angles P-C4'-P energy: -17.751
tors. eta vs tors. theta energy: -44.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -446.412626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.412626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.412626 (E_RNA)
where:
Base-Base interactions energy: -320.162
where: short stacking energy: -130.223
Base-Backbone interact. energy: -0.475
local terms energy: -135.774981
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -30.436
flat angles C4'-P-C4' energy: -29.552
flat angles P-C4'-P energy: -18.954
tors. eta vs tors. theta energy: -37.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -445.732072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.732072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.732072 (E_RNA)
where:
Base-Base interactions energy: -317.613
where: short stacking energy: -132.610
Base-Backbone interact. energy: -1.179
local terms energy: -136.939269
where:
bonds (distance) C4'-P energy: -21.877
bonds (distance) P-C4' energy: -25.646
flat angles C4'-P-C4' energy: -29.227
flat angles P-C4'-P energy: -21.073
tors. eta vs tors. theta energy: -39.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -468.189530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.189530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.189530 (E_RNA)
where:
Base-Base interactions energy: -328.783
where: short stacking energy: -131.428
Base-Backbone interact. energy: -0.135
local terms energy: -149.271774
where:
bonds (distance) C4'-P energy: -26.894
bonds (distance) P-C4' energy: -27.495
flat angles C4'-P-C4' energy: -30.651
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -45.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -444.078447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.078447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.078447 (E_RNA)
where:
Base-Base interactions energy: -323.449
where: short stacking energy: -132.188
Base-Backbone interact. energy: -0.194
local terms energy: -130.435752
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -29.081
flat angles P-C4'-P energy: -24.676
tors. eta vs tors. theta energy: -39.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -445.905304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.905304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.905304 (E_RNA)
where:
Base-Base interactions energy: -328.635
where: short stacking energy: -139.754
Base-Backbone interact. energy: -0.529
local terms energy: -126.741444
where:
bonds (distance) C4'-P energy: -23.375
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -26.752
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -42.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -411.496886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.496886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.496886 (E_RNA)
where:
Base-Base interactions energy: -290.980
where: short stacking energy: -127.321
Base-Backbone interact. energy: -0.154
local terms energy: -130.362717
where:
bonds (distance) C4'-P energy: -20.859
bonds (distance) P-C4' energy: -28.426
flat angles C4'-P-C4' energy: -28.061
flat angles P-C4'-P energy: -19.823
tors. eta vs tors. theta energy: -33.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -224.090744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.090744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.090744 (E_RNA)
where:
Base-Base interactions energy: -152.207
where: short stacking energy: -72.024
Base-Backbone interact. energy: -2.018
local terms energy: -79.865794
where:
bonds (distance) C4'-P energy: -21.869
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -12.293
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -501.526758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.526758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.526758 (E_RNA)
where:
Base-Base interactions energy: -358.958
where: short stacking energy: -154.511
Base-Backbone interact. energy: -0.026
local terms energy: -152.543085
where:
bonds (distance) C4'-P energy: -23.365
bonds (distance) P-C4' energy: -30.080
flat angles C4'-P-C4' energy: -31.235
flat angles P-C4'-P energy: -24.046
tors. eta vs tors. theta energy: -43.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -494.611161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.611161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.611161 (E_RNA)
where:
Base-Base interactions energy: -353.783
where: short stacking energy: -151.258
Base-Backbone interact. energy: -0.790
local terms energy: -150.038192
where:
bonds (distance) C4'-P energy: -28.276
bonds (distance) P-C4' energy: -24.049
flat angles C4'-P-C4' energy: -29.309
flat angles P-C4'-P energy: -22.655
tors. eta vs tors. theta energy: -45.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -480.899192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.899192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.899192 (E_RNA)
where:
Base-Base interactions energy: -340.189
where: short stacking energy: -144.628
Base-Backbone interact. energy: -0.266
local terms energy: -150.443447
where:
bonds (distance) C4'-P energy: -25.107
bonds (distance) P-C4' energy: -32.098
flat angles C4'-P-C4' energy: -30.069
flat angles P-C4'-P energy: -19.917
tors. eta vs tors. theta energy: -43.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -467.171210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.171210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.171210 (E_RNA)
where:
Base-Base interactions energy: -333.547
where: short stacking energy: -130.843
Base-Backbone interact. energy: -0.044
local terms energy: -143.579933
where:
bonds (distance) C4'-P energy: -22.831
bonds (distance) P-C4' energy: -26.949
flat angles C4'-P-C4' energy: -26.754
flat angles P-C4'-P energy: -22.933
tors. eta vs tors. theta energy: -44.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -464.360782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.360782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.360782 (E_RNA)
where:
Base-Base interactions energy: -331.226
where: short stacking energy: -138.492
Base-Backbone interact. energy: -0.041
local terms energy: -143.093174
where:
bonds (distance) C4'-P energy: -21.863
bonds (distance) P-C4' energy: -20.439
flat angles C4'-P-C4' energy: -32.761
flat angles P-C4'-P energy: -23.156
tors. eta vs tors. theta energy: -44.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -441.744694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.744694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.744694 (E_RNA)
where:
Base-Base interactions energy: -311.155
where: short stacking energy: -131.327
Base-Backbone interact. energy: -0.061
local terms energy: -140.528146
where:
bonds (distance) C4'-P energy: -26.176
bonds (distance) P-C4' energy: -26.863
flat angles C4'-P-C4' energy: -27.257
flat angles P-C4'-P energy: -20.574
tors. eta vs tors. theta energy: -39.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -446.031801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.031801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.031801 (E_RNA)
where:
Base-Base interactions energy: -323.654
where: short stacking energy: -132.571
Base-Backbone interact. energy: -0.983
local terms energy: -131.394541
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -26.861
flat angles C4'-P-C4' energy: -27.308
flat angles P-C4'-P energy: -22.739
tors. eta vs tors. theta energy: -37.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -413.975829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.975829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.975829 (E_RNA)
where:
Base-Base interactions energy: -300.537
where: short stacking energy: -127.986
Base-Backbone interact. energy: -0.251
local terms energy: -123.188245
where:
bonds (distance) C4'-P energy: -25.313
bonds (distance) P-C4' energy: -23.689
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -35.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -449.383392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.383392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.383392 (E_RNA)
where:
Base-Base interactions energy: -318.776
where: short stacking energy: -139.903
Base-Backbone interact. energy: -0.054
local terms energy: -140.553424
where:
bonds (distance) C4'-P energy: -20.928
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -30.486
flat angles P-C4'-P energy: -24.501
tors. eta vs tors. theta energy: -46.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -199.059676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.059676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.059676 (E_RNA)
where:
Base-Base interactions energy: -116.588
where: short stacking energy: -61.074
Base-Backbone interact. energy: 0.559
local terms energy: -93.031267
where:
bonds (distance) C4'-P energy: -24.884
bonds (distance) P-C4' energy: -22.457
flat angles C4'-P-C4' energy: -23.148
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -493.871466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.871466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.871466 (E_RNA)
where:
Base-Base interactions energy: -340.872
where: short stacking energy: -140.705
Base-Backbone interact. energy: -0.204
local terms energy: -162.795444
where:
bonds (distance) C4'-P energy: -28.733
bonds (distance) P-C4' energy: -28.681
flat angles C4'-P-C4' energy: -31.992
flat angles P-C4'-P energy: -28.054
tors. eta vs tors. theta energy: -45.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -504.582847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.582847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.582847 (E_RNA)
where:
Base-Base interactions energy: -360.940
where: short stacking energy: -153.536
Base-Backbone interact. energy: -0.058
local terms energy: -153.584877
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -31.276
flat angles C4'-P-C4' energy: -28.982
flat angles P-C4'-P energy: -23.528
tors. eta vs tors. theta energy: -44.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -481.720287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.720287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.720287 (E_RNA)
where:
Base-Base interactions energy: -345.110
where: short stacking energy: -147.319
Base-Backbone interact. energy: -0.036
local terms energy: -146.573705
where:
bonds (distance) C4'-P energy: -21.264
bonds (distance) P-C4' energy: -30.900
flat angles C4'-P-C4' energy: -31.468
flat angles P-C4'-P energy: -18.564
tors. eta vs tors. theta energy: -44.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -476.368237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.368237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.368237 (E_RNA)
where:
Base-Base interactions energy: -340.593
where: short stacking energy: -138.978
Base-Backbone interact. energy: -0.284
local terms energy: -145.490812
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -27.633
flat angles C4'-P-C4' energy: -29.591
flat angles P-C4'-P energy: -23.595
tors. eta vs tors. theta energy: -43.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -483.171116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.171116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.171116 (E_RNA)
where:
Base-Base interactions energy: -344.331
where: short stacking energy: -151.100
Base-Backbone interact. energy: -0.104
local terms energy: -148.736217
where:
bonds (distance) C4'-P energy: -24.407
bonds (distance) P-C4' energy: -23.665
flat angles C4'-P-C4' energy: -31.759
flat angles P-C4'-P energy: -21.821
tors. eta vs tors. theta energy: -47.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -464.539916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.539916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.539916 (E_RNA)
where:
Base-Base interactions energy: -323.862
where: short stacking energy: -136.133
Base-Backbone interact. energy: -0.015
local terms energy: -150.662016
where:
bonds (distance) C4'-P energy: -25.552
bonds (distance) P-C4' energy: -28.446
flat angles C4'-P-C4' energy: -30.689
flat angles P-C4'-P energy: -19.895
tors. eta vs tors. theta energy: -46.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -450.233932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.233932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.233932 (E_RNA)
where:
Base-Base interactions energy: -331.433
where: short stacking energy: -138.999
Base-Backbone interact. energy: 0.003
local terms energy: -128.804831
where:
bonds (distance) C4'-P energy: -27.102
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -24.940
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -41.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -419.033183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.033183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.033183 (E_RNA)
where:
Base-Base interactions energy: -296.287
where: short stacking energy: -123.641
Base-Backbone interact. energy: -0.741
local terms energy: -132.005410
where:
bonds (distance) C4'-P energy: -25.093
bonds (distance) P-C4' energy: -26.601
flat angles C4'-P-C4' energy: -23.422
flat angles P-C4'-P energy: -21.733
tors. eta vs tors. theta energy: -35.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -425.165762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.165762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.165762 (E_RNA)
where:
Base-Base interactions energy: -307.406
where: short stacking energy: -125.645
Base-Backbone interact. energy: -0.058
local terms energy: -127.701627
where:
bonds (distance) C4'-P energy: -22.490
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -27.468
flat angles P-C4'-P energy: -19.315
tors. eta vs tors. theta energy: -43.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -226.480140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.480140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.480140 (E_RNA)
where:
Base-Base interactions energy: -146.879
where: short stacking energy: -72.446
Base-Backbone interact. energy: -0.197
local terms energy: -89.403617
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -20.083
tors. eta vs tors. theta energy: -12.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -496.701395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.701395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.701395 (E_RNA)
where:
Base-Base interactions energy: -349.575
where: short stacking energy: -153.182
Base-Backbone interact. energy: -0.632
local terms energy: -156.494591
where:
bonds (distance) C4'-P energy: -28.725
bonds (distance) P-C4' energy: -29.040
flat angles C4'-P-C4' energy: -32.538
flat angles P-C4'-P energy: -22.190
tors. eta vs tors. theta energy: -44.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -488.629624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.629624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.629624 (E_RNA)
where:
Base-Base interactions energy: -352.789
where: short stacking energy: -149.462
Base-Backbone interact. energy: -0.004
local terms energy: -145.836924
where:
bonds (distance) C4'-P energy: -23.811
bonds (distance) P-C4' energy: -25.231
flat angles C4'-P-C4' energy: -30.541
flat angles P-C4'-P energy: -20.869
tors. eta vs tors. theta energy: -45.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -484.579504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.579504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.579504 (E_RNA)
where:
Base-Base interactions energy: -341.229
where: short stacking energy: -140.982
Base-Backbone interact. energy: -0.399
local terms energy: -152.951750
where:
bonds (distance) C4'-P energy: -29.317
bonds (distance) P-C4' energy: -29.949
flat angles C4'-P-C4' energy: -29.787
flat angles P-C4'-P energy: -19.696
tors. eta vs tors. theta energy: -44.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -481.199167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.199167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.199167 (E_RNA)
where:
Base-Base interactions energy: -335.430
where: short stacking energy: -138.140
Base-Backbone interact. energy: 0.239
local terms energy: -156.007469
where:
bonds (distance) C4'-P energy: -25.802
bonds (distance) P-C4' energy: -28.942
flat angles C4'-P-C4' energy: -33.237
flat angles P-C4'-P energy: -25.097
tors. eta vs tors. theta energy: -42.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -469.698933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.698933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.698933 (E_RNA)
where:
Base-Base interactions energy: -338.835
where: short stacking energy: -143.149
Base-Backbone interact. energy: -0.176
local terms energy: -140.688026
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -24.785
flat angles C4'-P-C4' energy: -29.335
flat angles P-C4'-P energy: -20.489
tors. eta vs tors. theta energy: -43.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -459.569078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.569078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.569078 (E_RNA)
where:
Base-Base interactions energy: -339.361
where: short stacking energy: -139.862
Base-Backbone interact. energy: 0.044
local terms energy: -130.252045
where:
bonds (distance) C4'-P energy: -23.423
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -29.818
flat angles P-C4'-P energy: -16.504
tors. eta vs tors. theta energy: -43.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -438.508336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.508336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.508336 (E_RNA)
where:
Base-Base interactions energy: -313.212
where: short stacking energy: -129.804
Base-Backbone interact. energy: -0.231
local terms energy: -135.064756
where:
bonds (distance) C4'-P energy: -21.449
bonds (distance) P-C4' energy: -24.934
flat angles C4'-P-C4' energy: -26.305
flat angles P-C4'-P energy: -17.696
tors. eta vs tors. theta energy: -44.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -430.418507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.418507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.418507 (E_RNA)
where:
Base-Base interactions energy: -308.799
where: short stacking energy: -123.489
Base-Backbone interact. energy: -0.087
local terms energy: -131.532166
where:
bonds (distance) C4'-P energy: -26.576
bonds (distance) P-C4' energy: -16.944
flat angles C4'-P-C4' energy: -26.299
flat angles P-C4'-P energy: -21.607
tors. eta vs tors. theta energy: -40.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -431.118160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.118160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.118160 (E_RNA)
where:
Base-Base interactions energy: -306.510
where: short stacking energy: -129.917
Base-Backbone interact. energy: -0.898
local terms energy: -133.709780
where:
bonds (distance) C4'-P energy: -19.601
bonds (distance) P-C4' energy: -23.341
flat angles C4'-P-C4' energy: -29.796
flat angles P-C4'-P energy: -20.169
tors. eta vs tors. theta energy: -40.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -227.817863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.817863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.817863 (E_RNA)
where:
Base-Base interactions energy: -151.978
where: short stacking energy: -80.063
Base-Backbone interact. energy: 0.554
local terms energy: -86.393838
where:
bonds (distance) C4'-P energy: -22.375
bonds (distance) P-C4' energy: -19.920
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -12.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -499.533730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.533730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.533730 (E_RNA)
where:
Base-Base interactions energy: -355.866
where: short stacking energy: -149.767
Base-Backbone interact. energy: -0.000
local terms energy: -153.667712
where:
bonds (distance) C4'-P energy: -24.411
bonds (distance) P-C4' energy: -29.005
flat angles C4'-P-C4' energy: -31.452
flat angles P-C4'-P energy: -24.506
tors. eta vs tors. theta energy: -44.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -492.231828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.231828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.231828 (E_RNA)
where:
Base-Base interactions energy: -348.954
where: short stacking energy: -145.055
Base-Backbone interact. energy: -0.637
local terms energy: -152.640780
where:
bonds (distance) C4'-P energy: -25.957
bonds (distance) P-C4' energy: -30.167
flat angles C4'-P-C4' energy: -27.927
flat angles P-C4'-P energy: -22.944
tors. eta vs tors. theta energy: -45.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -473.408795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.408795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.408795 (E_RNA)
where:
Base-Base interactions energy: -343.746
where: short stacking energy: -151.384
Base-Backbone interact. energy: -0.022
local terms energy: -139.641064
where:
bonds (distance) C4'-P energy: -25.111
bonds (distance) P-C4' energy: -24.909
flat angles C4'-P-C4' energy: -31.157
flat angles P-C4'-P energy: -16.128
tors. eta vs tors. theta energy: -42.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -476.170860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.170860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.170860 (E_RNA)
where:
Base-Base interactions energy: -341.820
where: short stacking energy: -145.500
Base-Backbone interact. energy: -0.038
local terms energy: -144.312990
where:
bonds (distance) C4'-P energy: -27.028
bonds (distance) P-C4' energy: -25.204
flat angles C4'-P-C4' energy: -26.577
flat angles P-C4'-P energy: -19.576
tors. eta vs tors. theta energy: -45.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -470.510613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.510613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.510613 (E_RNA)
where:
Base-Base interactions energy: -326.026
where: short stacking energy: -136.120
Base-Backbone interact. energy: -0.635
local terms energy: -153.849548
where:
bonds (distance) C4'-P energy: -29.072
bonds (distance) P-C4' energy: -25.988
flat angles C4'-P-C4' energy: -28.972
flat angles P-C4'-P energy: -23.459
tors. eta vs tors. theta energy: -46.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -444.406584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.406584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.406584 (E_RNA)
where:
Base-Base interactions energy: -321.136
where: short stacking energy: -134.011
Base-Backbone interact. energy: -1.258
local terms energy: -132.012209
where:
bonds (distance) C4'-P energy: -25.979
bonds (distance) P-C4' energy: -28.072
flat angles C4'-P-C4' energy: -25.834
flat angles P-C4'-P energy: -19.270
tors. eta vs tors. theta energy: -32.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -449.037093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.037093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.037093 (E_RNA)
where:
Base-Base interactions energy: -330.733
where: short stacking energy: -133.312
Base-Backbone interact. energy: 0.329
local terms energy: -128.633739
where:
bonds (distance) C4'-P energy: -22.185
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -25.549
flat angles P-C4'-P energy: -21.395
tors. eta vs tors. theta energy: -40.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -426.045839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.045839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.045839 (E_RNA)
where:
Base-Base interactions energy: -312.382
where: short stacking energy: -130.184
Base-Backbone interact. energy: -0.551
local terms energy: -123.112672
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -28.836
flat angles P-C4'-P energy: -15.496
tors. eta vs tors. theta energy: -40.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -413.332200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.332200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.332200 (E_RNA)
where:
Base-Base interactions energy: -301.538
where: short stacking energy: -128.080
Base-Backbone interact. energy: -0.108
local terms energy: -121.686619
where:
bonds (distance) C4'-P energy: -22.821
bonds (distance) P-C4' energy: -21.504
flat angles C4'-P-C4' energy: -25.536
flat angles P-C4'-P energy: -15.343
tors. eta vs tors. theta energy: -36.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -228.728854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.728854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.728854 (E_RNA)
where:
Base-Base interactions energy: -139.049
where: short stacking energy: -73.706
Base-Backbone interact. energy: 0.218
local terms energy: -99.897211
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -29.881
flat angles C4'-P-C4' energy: -21.805
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -495.504084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.504084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.504084 (E_RNA)
where:
Base-Base interactions energy: -361.221
where: short stacking energy: -143.203
Base-Backbone interact. energy: -0.049
local terms energy: -144.234446
where:
bonds (distance) C4'-P energy: -15.147
bonds (distance) P-C4' energy: -27.098
flat angles C4'-P-C4' energy: -33.137
flat angles P-C4'-P energy: -25.914
tors. eta vs tors. theta energy: -42.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -489.548300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.548300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.548300 (E_RNA)
where:
Base-Base interactions energy: -350.011
where: short stacking energy: -150.403
Base-Backbone interact. energy: -0.325
local terms energy: -149.212209
where:
bonds (distance) C4'-P energy: -22.155
bonds (distance) P-C4' energy: -28.971
flat angles C4'-P-C4' energy: -31.111
flat angles P-C4'-P energy: -20.786
tors. eta vs tors. theta energy: -46.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -474.815185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.815185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.815185 (E_RNA)
where:
Base-Base interactions energy: -340.787
where: short stacking energy: -145.753
Base-Backbone interact. energy: -0.004
local terms energy: -144.024833
where:
bonds (distance) C4'-P energy: -26.142
bonds (distance) P-C4' energy: -23.570
flat angles C4'-P-C4' energy: -29.390
flat angles P-C4'-P energy: -21.798
tors. eta vs tors. theta energy: -43.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -479.799694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.799694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.799694 (E_RNA)
where:
Base-Base interactions energy: -342.888
where: short stacking energy: -140.274
Base-Backbone interact. energy: 0.166
local terms energy: -147.077615
where:
bonds (distance) C4'-P energy: -23.875
bonds (distance) P-C4' energy: -27.440
flat angles C4'-P-C4' energy: -28.153
flat angles P-C4'-P energy: -22.061
tors. eta vs tors. theta energy: -45.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -462.590603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.590603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.590603 (E_RNA)
where:
Base-Base interactions energy: -335.478
where: short stacking energy: -130.109
Base-Backbone interact. energy: -0.149
local terms energy: -136.963460
where:
bonds (distance) C4'-P energy: -24.280
bonds (distance) P-C4' energy: -25.061
flat angles C4'-P-C4' energy: -25.491
flat angles P-C4'-P energy: -19.622
tors. eta vs tors. theta energy: -42.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -453.213919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.213919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.213919 (E_RNA)
where:
Base-Base interactions energy: -322.536
where: short stacking energy: -134.296
Base-Backbone interact. energy: -0.287
local terms energy: -140.390865
where:
bonds (distance) C4'-P energy: -25.785
bonds (distance) P-C4' energy: -30.369
flat angles C4'-P-C4' energy: -25.146
flat angles P-C4'-P energy: -18.871
tors. eta vs tors. theta energy: -40.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -435.095872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.095872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.095872 (E_RNA)
where:
Base-Base interactions energy: -318.870
where: short stacking energy: -125.518
Base-Backbone interact. energy: -0.390
local terms energy: -125.835270
where:
bonds (distance) C4'-P energy: -25.496
bonds (distance) P-C4' energy: -23.690
flat angles C4'-P-C4' energy: -24.242
flat angles P-C4'-P energy: -16.584
tors. eta vs tors. theta energy: -35.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -413.436990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.436990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.436990 (E_RNA)
where:
Base-Base interactions energy: -294.661
where: short stacking energy: -122.556
Base-Backbone interact. energy: -0.089
local terms energy: -128.687133
where:
bonds (distance) C4'-P energy: -22.698
bonds (distance) P-C4' energy: -22.738
flat angles C4'-P-C4' energy: -31.566
flat angles P-C4'-P energy: -16.315
tors. eta vs tors. theta energy: -35.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -402.796485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.796485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.796485 (E_RNA)
where:
Base-Base interactions energy: -276.352
where: short stacking energy: -118.083
Base-Backbone interact. energy: -0.351
local terms energy: -136.094280
where:
bonds (distance) C4'-P energy: -26.176
bonds (distance) P-C4' energy: -27.560
flat angles C4'-P-C4' energy: -25.452
flat angles P-C4'-P energy: -20.814
tors. eta vs tors. theta energy: -36.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -206.520692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.520692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.520692 (E_RNA)
where:
Base-Base interactions energy: -132.470
where: short stacking energy: -59.374
Base-Backbone interact. energy: 0.725
local terms energy: -84.775952
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -20.245
flat angles C4'-P-C4' energy: -28.511
flat angles P-C4'-P energy: -15.335
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -498.316913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.316913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.316913 (E_RNA)
where:
Base-Base interactions energy: -353.745
where: short stacking energy: -154.412
Base-Backbone interact. energy: -0.595
local terms energy: -153.977252
where:
bonds (distance) C4'-P energy: -25.931
bonds (distance) P-C4' energy: -26.344
flat angles C4'-P-C4' energy: -33.512
flat angles P-C4'-P energy: -20.695
tors. eta vs tors. theta energy: -47.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -483.591209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.591209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.591209 (E_RNA)
where:
Base-Base interactions energy: -347.394
where: short stacking energy: -143.614
Base-Backbone interact. energy: -1.654
local terms energy: -144.543691
where:
bonds (distance) C4'-P energy: -24.955
bonds (distance) P-C4' energy: -26.331
flat angles C4'-P-C4' energy: -30.453
flat angles P-C4'-P energy: -20.013
tors. eta vs tors. theta energy: -42.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -482.332815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.332815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.332815 (E_RNA)
where:
Base-Base interactions energy: -352.137
where: short stacking energy: -147.053
Base-Backbone interact. energy: 2.279
local terms energy: -142.474052
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -24.051
flat angles C4'-P-C4' energy: -33.253
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -47.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -474.532432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.532432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.532432 (E_RNA)
where:
Base-Base interactions energy: -340.661
where: short stacking energy: -146.084
Base-Backbone interact. energy: -0.285
local terms energy: -143.586632
where:
bonds (distance) C4'-P energy: -22.835
bonds (distance) P-C4' energy: -28.482
flat angles C4'-P-C4' energy: -30.131
flat angles P-C4'-P energy: -19.816
tors. eta vs tors. theta energy: -42.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -461.894823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.894823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.894823 (E_RNA)
where:
Base-Base interactions energy: -332.216
where: short stacking energy: -140.078
Base-Backbone interact. energy: 0.250
local terms energy: -139.929316
where:
bonds (distance) C4'-P energy: -26.162
bonds (distance) P-C4' energy: -24.266
flat angles C4'-P-C4' energy: -31.509
flat angles P-C4'-P energy: -19.412
tors. eta vs tors. theta energy: -38.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -451.194618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.194618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.194618 (E_RNA)
where:
Base-Base interactions energy: -327.482
where: short stacking energy: -128.538
Base-Backbone interact. energy: -0.050
local terms energy: -133.663079
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -25.481
flat angles C4'-P-C4' energy: -30.817
flat angles P-C4'-P energy: -18.814
tors. eta vs tors. theta energy: -38.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -435.314327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.314327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.314327 (E_RNA)
where:
Base-Base interactions energy: -310.827
where: short stacking energy: -130.427
Base-Backbone interact. energy: -0.299
local terms energy: -134.188105
where:
bonds (distance) C4'-P energy: -24.045
bonds (distance) P-C4' energy: -25.067
flat angles C4'-P-C4' energy: -26.492
flat angles P-C4'-P energy: -20.921
tors. eta vs tors. theta energy: -37.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -436.933179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.933179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.933179 (E_RNA)
where:
Base-Base interactions energy: -306.956
where: short stacking energy: -124.720
Base-Backbone interact. energy: -0.140
local terms energy: -139.836754
where:
bonds (distance) C4'-P energy: -29.335
bonds (distance) P-C4' energy: -27.216
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -40.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -346.815479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.815479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.815479 (E_RNA)
where:
Base-Base interactions energy: -245.009
where: short stacking energy: -108.345
Base-Backbone interact. energy: -0.079
local terms energy: -111.727448
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -21.968
flat angles C4'-P-C4' energy: -30.170
flat angles P-C4'-P energy: -21.825
tors. eta vs tors. theta energy: -28.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -243.617388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.617388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.617388 (E_RNA)
where:
Base-Base interactions energy: -155.001
where: short stacking energy: -63.819
Base-Backbone interact. energy: -0.801
local terms energy: -97.814576
where:
bonds (distance) C4'-P energy: -27.418
bonds (distance) P-C4' energy: -23.199
flat angles C4'-P-C4' energy: -22.363
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -504.270075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.270075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.270075 (E_RNA)
where:
Base-Base interactions energy: -360.353
where: short stacking energy: -154.928
Base-Backbone interact. energy: -0.080
local terms energy: -153.836937
where:
bonds (distance) C4'-P energy: -27.093
bonds (distance) P-C4' energy: -27.144
flat angles C4'-P-C4' energy: -31.016
flat angles P-C4'-P energy: -21.340
tors. eta vs tors. theta energy: -47.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -491.289512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.289512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.289512 (E_RNA)
where:
Base-Base interactions energy: -350.180
where: short stacking energy: -145.925
Base-Backbone interact. energy: -0.041
local terms energy: -151.068296
where:
bonds (distance) C4'-P energy: -25.927
bonds (distance) P-C4' energy: -26.159
flat angles C4'-P-C4' energy: -31.495
flat angles P-C4'-P energy: -22.630
tors. eta vs tors. theta energy: -44.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -484.391759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.391759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.391759 (E_RNA)
where:
Base-Base interactions energy: -347.818
where: short stacking energy: -138.937
Base-Backbone interact. energy: -0.012
local terms energy: -146.561817
where:
bonds (distance) C4'-P energy: -29.165
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -29.788
flat angles P-C4'-P energy: -21.380
tors. eta vs tors. theta energy: -41.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -481.028809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.028809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.028809 (E_RNA)
where:
Base-Base interactions energy: -347.561
where: short stacking energy: -138.895
Base-Backbone interact. energy: -0.002
local terms energy: -143.465994
where:
bonds (distance) C4'-P energy: -25.649
bonds (distance) P-C4' energy: -27.917
flat angles C4'-P-C4' energy: -27.715
flat angles P-C4'-P energy: -20.957
tors. eta vs tors. theta energy: -41.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -464.621040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.621040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.621040 (E_RNA)
where:
Base-Base interactions energy: -325.815
where: short stacking energy: -132.776
Base-Backbone interact. energy: -0.604
local terms energy: -148.202420
where:
bonds (distance) C4'-P energy: -27.772
bonds (distance) P-C4' energy: -25.738
flat angles C4'-P-C4' energy: -28.131
flat angles P-C4'-P energy: -21.164
tors. eta vs tors. theta energy: -45.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -447.863370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.863370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.863370 (E_RNA)
where:
Base-Base interactions energy: -322.592
where: short stacking energy: -126.166
Base-Backbone interact. energy: -0.126
local terms energy: -135.144594
where:
bonds (distance) C4'-P energy: -20.174
bonds (distance) P-C4' energy: -26.361
flat angles C4'-P-C4' energy: -33.355
flat angles P-C4'-P energy: -15.979
tors. eta vs tors. theta energy: -39.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -435.537097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.537097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.537097 (E_RNA)
where:
Base-Base interactions energy: -319.596
where: short stacking energy: -144.858
Base-Backbone interact. energy: -0.345
local terms energy: -125.596708
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -25.105
flat angles P-C4'-P energy: -23.896
tors. eta vs tors. theta energy: -40.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -327.943816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.943816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.943816 (E_RNA)
where:
Base-Base interactions energy: -219.306
where: short stacking energy: -104.383
Base-Backbone interact. energy: 0.013
local terms energy: -118.650283
where:
bonds (distance) C4'-P energy: -26.936
bonds (distance) P-C4' energy: -28.003
flat angles C4'-P-C4' energy: -25.973
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -24.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -438.759335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.759335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.759335 (E_RNA)
where:
Base-Base interactions energy: -320.215
where: short stacking energy: -131.100
Base-Backbone interact. energy: -0.415
local terms energy: -128.129388
where:
bonds (distance) C4'-P energy: -18.538
bonds (distance) P-C4' energy: -22.955
flat angles C4'-P-C4' energy: -29.177
flat angles P-C4'-P energy: -16.652
tors. eta vs tors. theta energy: -40.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -254.168616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.168616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.168616 (E_RNA)
where:
Base-Base interactions energy: -160.058
where: short stacking energy: -72.754
Base-Backbone interact. energy: -0.361
local terms energy: -103.748891
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -28.268
flat angles C4'-P-C4' energy: -28.143
flat angles P-C4'-P energy: -21.129
tors. eta vs tors. theta energy: -11.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -491.987635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.987635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.987635 (E_RNA)
where:
Base-Base interactions energy: -352.478
where: short stacking energy: -138.718
Base-Backbone interact. energy: 1.614
local terms energy: -151.123746
where:
bonds (distance) C4'-P energy: -25.083
bonds (distance) P-C4' energy: -29.001
flat angles C4'-P-C4' energy: -33.282
flat angles P-C4'-P energy: -18.774
tors. eta vs tors. theta energy: -44.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -487.668998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.668998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.668998 (E_RNA)
where:
Base-Base interactions energy: -349.532
where: short stacking energy: -148.662
Base-Backbone interact. energy: -0.106
local terms energy: -148.031694
where:
bonds (distance) C4'-P energy: -26.075
bonds (distance) P-C4' energy: -26.389
flat angles C4'-P-C4' energy: -29.963
flat angles P-C4'-P energy: -19.869
tors. eta vs tors. theta energy: -45.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -481.999438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.999438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.999438 (E_RNA)
where:
Base-Base interactions energy: -345.627
where: short stacking energy: -150.971
Base-Backbone interact. energy: -0.072
local terms energy: -146.300840
where:
bonds (distance) C4'-P energy: -26.218
bonds (distance) P-C4' energy: -28.875
flat angles C4'-P-C4' energy: -30.934
flat angles P-C4'-P energy: -16.298
tors. eta vs tors. theta energy: -43.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -467.387937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.387937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.387937 (E_RNA)
where:
Base-Base interactions energy: -336.202
where: short stacking energy: -142.982
Base-Backbone interact. energy: 2.402
local terms energy: -143.587732
where:
bonds (distance) C4'-P energy: -20.888
bonds (distance) P-C4' energy: -24.939
flat angles C4'-P-C4' energy: -27.588
flat angles P-C4'-P energy: -25.254
tors. eta vs tors. theta energy: -44.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -445.390890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.390890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.390890 (E_RNA)
where:
Base-Base interactions energy: -317.983
where: short stacking energy: -122.891
Base-Backbone interact. energy: -0.449
local terms energy: -136.958561
where:
bonds (distance) C4'-P energy: -28.215
bonds (distance) P-C4' energy: -22.728
flat angles C4'-P-C4' energy: -28.669
flat angles P-C4'-P energy: -20.982
tors. eta vs tors. theta energy: -36.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -450.608035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.608035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.608035 (E_RNA)
where:
Base-Base interactions energy: -328.599
where: short stacking energy: -138.833
Base-Backbone interact. energy: -0.122
local terms energy: -131.887074
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -23.914
flat angles C4'-P-C4' energy: -25.756
flat angles P-C4'-P energy: -17.548
tors. eta vs tors. theta energy: -45.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -431.955451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.955451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.955451 (E_RNA)
where:
Base-Base interactions energy: -313.874
where: short stacking energy: -132.581
Base-Backbone interact. energy: -0.104
local terms energy: -127.978054
where:
bonds (distance) C4'-P energy: -25.347
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -27.729
flat angles P-C4'-P energy: -20.182
tors. eta vs tors. theta energy: -39.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -331.492888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.492888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.492888 (E_RNA)
where:
Base-Base interactions energy: -228.209
where: short stacking energy: -107.221
Base-Backbone interact. energy: -0.129
local terms energy: -113.154794
where:
bonds (distance) C4'-P energy: -22.084
bonds (distance) P-C4' energy: -26.347
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -33.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -404.763930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.763930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.763930 (E_RNA)
where:
Base-Base interactions energy: -283.472
where: short stacking energy: -112.637
Base-Backbone interact. energy: -0.110
local terms energy: -131.182457
where:
bonds (distance) C4'-P energy: -23.313
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -25.054
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -43.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -245.393081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.393081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.393081 (E_RNA)
where:
Base-Base interactions energy: -164.452
where: short stacking energy: -71.634
Base-Backbone interact. energy: -0.336
local terms energy: -90.604998
where:
bonds (distance) C4'-P energy: -25.891
bonds (distance) P-C4' energy: -23.492
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -19.838
tors. eta vs tors. theta energy: -8.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -497.121731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.121731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.121731 (E_RNA)
where:
Base-Base interactions energy: -354.322
where: short stacking energy: -150.640
Base-Backbone interact. energy: -1.202
local terms energy: -151.597881
where:
bonds (distance) C4'-P energy: -28.824
bonds (distance) P-C4' energy: -28.558
flat angles C4'-P-C4' energy: -29.038
flat angles P-C4'-P energy: -21.044
tors. eta vs tors. theta energy: -44.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -496.640412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.640412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.640412 (E_RNA)
where:
Base-Base interactions energy: -348.689
where: short stacking energy: -151.222
Base-Backbone interact. energy: -0.149
local terms energy: -157.802075
where:
bonds (distance) C4'-P energy: -28.378
bonds (distance) P-C4' energy: -29.457
flat angles C4'-P-C4' energy: -32.012
flat angles P-C4'-P energy: -21.903
tors. eta vs tors. theta energy: -46.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -485.570844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.570844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.570844 (E_RNA)
where:
Base-Base interactions energy: -351.644
where: short stacking energy: -151.002
Base-Backbone interact. energy: -0.006
local terms energy: -143.920101
where:
bonds (distance) C4'-P energy: -28.037
bonds (distance) P-C4' energy: -23.431
flat angles C4'-P-C4' energy: -25.252
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -45.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -462.662169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.662169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.662169 (E_RNA)
where:
Base-Base interactions energy: -331.029
where: short stacking energy: -138.258
Base-Backbone interact. energy: 1.920
local terms energy: -143.553404
where:
bonds (distance) C4'-P energy: -23.534
bonds (distance) P-C4' energy: -24.167
flat angles C4'-P-C4' energy: -28.101
flat angles P-C4'-P energy: -20.059
tors. eta vs tors. theta energy: -47.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -429.396041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.396041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.396041 (E_RNA)
where:
Base-Base interactions energy: -301.824
where: short stacking energy: -125.677
Base-Backbone interact. energy: -0.723
local terms energy: -136.849504
where:
bonds (distance) C4'-P energy: -22.413
bonds (distance) P-C4' energy: -29.387
flat angles C4'-P-C4' energy: -27.772
flat angles P-C4'-P energy: -22.718
tors. eta vs tors. theta energy: -34.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -438.893618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.893618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.893618 (E_RNA)
where:
Base-Base interactions energy: -311.026
where: short stacking energy: -130.777
Base-Backbone interact. energy: -0.175
local terms energy: -137.692628
where:
bonds (distance) C4'-P energy: -27.354
bonds (distance) P-C4' energy: -26.726
flat angles C4'-P-C4' energy: -27.456
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -40.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -435.017584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.017584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.017584 (E_RNA)
where:
Base-Base interactions energy: -303.837
where: short stacking energy: -120.565
Base-Backbone interact. energy: 0.329
local terms energy: -141.510027
where:
bonds (distance) C4'-P energy: -27.981
bonds (distance) P-C4' energy: -28.885
flat angles C4'-P-C4' energy: -25.511
flat angles P-C4'-P energy: -20.498
tors. eta vs tors. theta energy: -38.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -429.531947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.531947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.531947 (E_RNA)
where:
Base-Base interactions energy: -306.418
where: short stacking energy: -124.700
Base-Backbone interact. energy: -0.013
local terms energy: -133.101066
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -25.660
flat angles C4'-P-C4' energy: -30.178
flat angles P-C4'-P energy: -17.997
tors. eta vs tors. theta energy: -38.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -312.862489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -312.862489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.862489 (E_RNA)
where:
Base-Base interactions energy: -219.937
where: short stacking energy: -90.118
Base-Backbone interact. energy: 1.769
local terms energy: -104.694907
where:
bonds (distance) C4'-P energy: -12.619
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -28.614
flat angles P-C4'-P energy: -17.159
tors. eta vs tors. theta energy: -27.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -239.992124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.992124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.992124 (E_RNA)
where:
Base-Base interactions energy: -150.788
where: short stacking energy: -73.422
Base-Backbone interact. energy: -0.418
local terms energy: -98.786012
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -31.236
flat angles C4'-P-C4' energy: -21.458
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -19.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -489.521861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.521861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.521861 (E_RNA)
where:
Base-Base interactions energy: -352.463
where: short stacking energy: -144.589
Base-Backbone interact. energy: -0.928
local terms energy: -146.130849
where:
bonds (distance) C4'-P energy: -26.590
bonds (distance) P-C4' energy: -30.331
flat angles C4'-P-C4' energy: -31.919
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: -37.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -495.319314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.319314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.319314 (E_RNA)
where:
Base-Base interactions energy: -352.939
where: short stacking energy: -155.323
Base-Backbone interact. energy: -0.279
local terms energy: -152.101202
where:
bonds (distance) C4'-P energy: -27.217
bonds (distance) P-C4' energy: -30.092
flat angles C4'-P-C4' energy: -30.327
flat angles P-C4'-P energy: -19.663
tors. eta vs tors. theta energy: -44.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -483.191780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.191780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.191780 (E_RNA)
where:
Base-Base interactions energy: -346.043
where: short stacking energy: -147.075
Base-Backbone interact. energy: -0.687
local terms energy: -146.461420
where:
bonds (distance) C4'-P energy: -25.082
bonds (distance) P-C4' energy: -26.656
flat angles C4'-P-C4' energy: -28.614
flat angles P-C4'-P energy: -20.926
tors. eta vs tors. theta energy: -45.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -475.310699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.310699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.310699 (E_RNA)
where:
Base-Base interactions energy: -339.482
where: short stacking energy: -143.768
Base-Backbone interact. energy: -0.002
local terms energy: -145.826212
where:
bonds (distance) C4'-P energy: -25.409
bonds (distance) P-C4' energy: -26.779
flat angles C4'-P-C4' energy: -28.543
flat angles P-C4'-P energy: -21.883
tors. eta vs tors. theta energy: -43.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -452.184733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.184733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.184733 (E_RNA)
where:
Base-Base interactions energy: -312.163
where: short stacking energy: -127.696
Base-Backbone interact. energy: -0.334
local terms energy: -149.687184
where:
bonds (distance) C4'-P energy: -29.271
bonds (distance) P-C4' energy: -27.097
flat angles C4'-P-C4' energy: -28.631
flat angles P-C4'-P energy: -23.463
tors. eta vs tors. theta energy: -41.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -455.972335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.972335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.972335 (E_RNA)
where:
Base-Base interactions energy: -332.977
where: short stacking energy: -150.958
Base-Backbone interact. energy: -0.172
local terms energy: -132.823519
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -21.981
flat angles C4'-P-C4' energy: -28.326
flat angles P-C4'-P energy: -23.614
tors. eta vs tors. theta energy: -44.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -451.058648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.058648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.058648 (E_RNA)
where:
Base-Base interactions energy: -328.628
where: short stacking energy: -130.737
Base-Backbone interact. energy: -0.031
local terms energy: -132.400070
where:
bonds (distance) C4'-P energy: -23.118
bonds (distance) P-C4' energy: -18.789
flat angles C4'-P-C4' energy: -27.418
flat angles P-C4'-P energy: -20.585
tors. eta vs tors. theta energy: -42.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -419.396099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.396099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.396099 (E_RNA)
where:
Base-Base interactions energy: -306.341
where: short stacking energy: -133.517
Base-Backbone interact. energy: -0.042
local terms energy: -123.012772
where:
bonds (distance) C4'-P energy: -21.350
bonds (distance) P-C4' energy: -25.179
flat angles C4'-P-C4' energy: -26.122
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -38.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -290.431903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.431903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.431903 (E_RNA)
where:
Base-Base interactions energy: -185.550
where: short stacking energy: -90.526
Base-Backbone interact. energy: -0.562
local terms energy: -114.320441
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -21.823
flat angles C4'-P-C4' energy: -26.994
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -31.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -313.637265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.637265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.637265 (E_RNA)
where:
Base-Base interactions energy: -211.076
where: short stacking energy: -88.854
Base-Backbone interact. energy: 2.875
local terms energy: -115.436128
where:
bonds (distance) C4'-P energy: -24.097
bonds (distance) P-C4' energy: -21.270
flat angles C4'-P-C4' energy: -30.179
flat angles P-C4'-P energy: -14.940
tors. eta vs tors. theta energy: -24.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -483.955419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.955419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.955419 (E_RNA)
where:
Base-Base interactions energy: -348.440
where: short stacking energy: -143.964
Base-Backbone interact. energy: -0.601
local terms energy: -144.915126
where:
bonds (distance) C4'-P energy: -22.023
bonds (distance) P-C4' energy: -24.360
flat angles C4'-P-C4' energy: -32.365
flat angles P-C4'-P energy: -23.616
tors. eta vs tors. theta energy: -42.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -490.679224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.679224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.679224 (E_RNA)
where:
Base-Base interactions energy: -351.797
where: short stacking energy: -139.499
Base-Backbone interact. energy: -0.214
local terms energy: -148.667592
where:
bonds (distance) C4'-P energy: -23.676
bonds (distance) P-C4' energy: -28.315
flat angles C4'-P-C4' energy: -32.455
flat angles P-C4'-P energy: -23.626
tors. eta vs tors. theta energy: -40.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -481.987974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.987974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.987974 (E_RNA)
where:
Base-Base interactions energy: -347.955
where: short stacking energy: -144.802
Base-Backbone interact. energy: -0.296
local terms energy: -143.736587
where:
bonds (distance) C4'-P energy: -24.660
bonds (distance) P-C4' energy: -23.883
flat angles C4'-P-C4' energy: -32.099
flat angles P-C4'-P energy: -21.860
tors. eta vs tors. theta energy: -41.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -466.542746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.542746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.542746 (E_RNA)
where:
Base-Base interactions energy: -334.308
where: short stacking energy: -135.216
Base-Backbone interact. energy: -0.170
local terms energy: -142.065313
where:
bonds (distance) C4'-P energy: -23.692
bonds (distance) P-C4' energy: -27.661
flat angles C4'-P-C4' energy: -32.214
flat angles P-C4'-P energy: -22.459
tors. eta vs tors. theta energy: -36.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -462.787348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.787348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.787348 (E_RNA)
where:
Base-Base interactions energy: -335.562
where: short stacking energy: -136.641
Base-Backbone interact. energy: -0.003
local terms energy: -137.222309
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -27.232
flat angles C4'-P-C4' energy: -28.841
flat angles P-C4'-P energy: -21.736
tors. eta vs tors. theta energy: -43.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -450.682056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.682056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.682056 (E_RNA)
where:
Base-Base interactions energy: -322.329
where: short stacking energy: -132.233
Base-Backbone interact. energy: -0.408
local terms energy: -137.945050
where:
bonds (distance) C4'-P energy: -22.622
bonds (distance) P-C4' energy: -23.517
flat angles C4'-P-C4' energy: -28.636
flat angles P-C4'-P energy: -20.924
tors. eta vs tors. theta energy: -42.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -426.757873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.757873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.757873 (E_RNA)
where:
Base-Base interactions energy: -308.386
where: short stacking energy: -125.164
Base-Backbone interact. energy: -0.687
local terms energy: -127.685860
where:
bonds (distance) C4'-P energy: -25.383
bonds (distance) P-C4' energy: -25.044
flat angles C4'-P-C4' energy: -24.507
flat angles P-C4'-P energy: -17.001
tors. eta vs tors. theta energy: -35.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -440.525671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.525671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.525671 (E_RNA)
where:
Base-Base interactions energy: -322.165
where: short stacking energy: -134.112
Base-Backbone interact. energy: -0.006
local terms energy: -128.354531
where:
bonds (distance) C4'-P energy: -18.981
bonds (distance) P-C4' energy: -27.430
flat angles C4'-P-C4' energy: -28.902
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -39.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -267.947389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.947389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.947389 (E_RNA)
where:
Base-Base interactions energy: -182.108
where: short stacking energy: -85.198
Base-Backbone interact. energy: 0.006
local terms energy: -95.845926
where:
bonds (distance) C4'-P energy: -21.124
bonds (distance) P-C4' energy: -23.170
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -291.681037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.681037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.681037 (E_RNA)
where:
Base-Base interactions energy: -193.252
where: short stacking energy: -88.248
Base-Backbone interact. energy: -0.301
local terms energy: -108.128596
where:
bonds (distance) C4'-P energy: -21.811
bonds (distance) P-C4' energy: -27.558
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -19.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -494.272090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.272090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.272090 (E_RNA)
where:
Base-Base interactions energy: -348.201
where: short stacking energy: -147.358
Base-Backbone interact. energy: -0.622
local terms energy: -155.450062
where:
bonds (distance) C4'-P energy: -28.187
bonds (distance) P-C4' energy: -29.824
flat angles C4'-P-C4' energy: -30.580
flat angles P-C4'-P energy: -21.119
tors. eta vs tors. theta energy: -45.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -501.789834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.789834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.789834 (E_RNA)
where:
Base-Base interactions energy: -350.260
where: short stacking energy: -147.680
Base-Backbone interact. energy: -0.851
local terms energy: -160.679536
where:
bonds (distance) C4'-P energy: -29.370
bonds (distance) P-C4' energy: -26.202
flat angles C4'-P-C4' energy: -31.444
flat angles P-C4'-P energy: -27.310
tors. eta vs tors. theta energy: -46.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -468.470679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.470679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.470679 (E_RNA)
where:
Base-Base interactions energy: -340.562
where: short stacking energy: -140.351
Base-Backbone interact. energy: -0.263
local terms energy: -137.646128
where:
bonds (distance) C4'-P energy: -25.538
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -31.155
flat angles P-C4'-P energy: -22.910
tors. eta vs tors. theta energy: -37.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -493.757537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.757537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.757537 (E_RNA)
where:
Base-Base interactions energy: -360.987
where: short stacking energy: -151.466
Base-Backbone interact. energy: -0.033
local terms energy: -142.737329
where:
bonds (distance) C4'-P energy: -20.760
bonds (distance) P-C4' energy: -25.188
flat angles C4'-P-C4' energy: -30.820
flat angles P-C4'-P energy: -21.294
tors. eta vs tors. theta energy: -44.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -464.268704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.268704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.268704 (E_RNA)
where:
Base-Base interactions energy: -338.589
where: short stacking energy: -139.425
Base-Backbone interact. energy: -0.033
local terms energy: -135.646820
where:
bonds (distance) C4'-P energy: -21.344
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -28.126
flat angles P-C4'-P energy: -19.760
tors. eta vs tors. theta energy: -42.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -448.053189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.053189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.053189 (E_RNA)
where:
Base-Base interactions energy: -323.022
where: short stacking energy: -139.323
Base-Backbone interact. energy: -0.417
local terms energy: -134.613627
where:
bonds (distance) C4'-P energy: -18.632
bonds (distance) P-C4' energy: -24.782
flat angles C4'-P-C4' energy: -28.608
flat angles P-C4'-P energy: -17.300
tors. eta vs tors. theta energy: -45.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -430.904494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.904494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.904494 (E_RNA)
where:
Base-Base interactions energy: -314.236
where: short stacking energy: -129.470
Base-Backbone interact. energy: -0.052
local terms energy: -126.616571
where:
bonds (distance) C4'-P energy: -23.079
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -28.454
flat angles P-C4'-P energy: -20.751
tors. eta vs tors. theta energy: -39.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -427.620551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.620551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.620551 (E_RNA)
where:
Base-Base interactions energy: -309.718
where: short stacking energy: -132.554
Base-Backbone interact. energy: -0.043
local terms energy: -127.859988
where:
bonds (distance) C4'-P energy: -20.762
bonds (distance) P-C4' energy: -20.714
flat angles C4'-P-C4' energy: -29.980
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: -40.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -298.342679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.342679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.342679 (E_RNA)
where:
Base-Base interactions energy: -196.446
where: short stacking energy: -93.591
Base-Backbone interact. energy: 0.364
local terms energy: -112.261045
where:
bonds (distance) C4'-P energy: -24.035
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -24.874
flat angles P-C4'-P energy: -19.773
tors. eta vs tors. theta energy: -22.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -262.079807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.079807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.079807 (E_RNA)
where:
Base-Base interactions energy: -185.894
where: short stacking energy: -88.968
Base-Backbone interact. energy: -0.607
local terms energy: -85.578621
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -20.500
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -22.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -493.052827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.052827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.052827 (E_RNA)
where:
Base-Base interactions energy: -346.451
where: short stacking energy: -146.538
Base-Backbone interact. energy: 0.074
local terms energy: -156.676153
where:
bonds (distance) C4'-P energy: -25.965
bonds (distance) P-C4' energy: -30.122
flat angles C4'-P-C4' energy: -30.700
flat angles P-C4'-P energy: -24.656
tors. eta vs tors. theta energy: -45.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -489.583142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.583142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.583142 (E_RNA)
where:
Base-Base interactions energy: -345.333
where: short stacking energy: -143.252
Base-Backbone interact. energy: -0.042
local terms energy: -154.207664
where:
bonds (distance) C4'-P energy: -26.095
bonds (distance) P-C4' energy: -28.790
flat angles C4'-P-C4' energy: -32.773
flat angles P-C4'-P energy: -21.228
tors. eta vs tors. theta energy: -45.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -479.153661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.153661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.153661 (E_RNA)
where:
Base-Base interactions energy: -338.720
where: short stacking energy: -145.232
Base-Backbone interact. energy: -0.215
local terms energy: -150.218960
where:
bonds (distance) C4'-P energy: -25.610
bonds (distance) P-C4' energy: -27.132
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -18.279
tors. eta vs tors. theta energy: -47.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -460.799389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.799389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.799389 (E_RNA)
where:
Base-Base interactions energy: -344.534
where: short stacking energy: -145.860
Base-Backbone interact. energy: -0.092
local terms energy: -126.173094
where:
bonds (distance) C4'-P energy: -20.887
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -31.050
flat angles P-C4'-P energy: -22.503
tors. eta vs tors. theta energy: -41.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -456.664067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.664067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.664067 (E_RNA)
where:
Base-Base interactions energy: -324.925
where: short stacking energy: -138.879
Base-Backbone interact. energy: -0.026
local terms energy: -141.713022
where:
bonds (distance) C4'-P energy: -24.514
bonds (distance) P-C4' energy: -30.834
flat angles C4'-P-C4' energy: -26.667
flat angles P-C4'-P energy: -19.545
tors. eta vs tors. theta energy: -40.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -437.764531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.764531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.764531 (E_RNA)
where:
Base-Base interactions energy: -318.085
where: short stacking energy: -129.327
Base-Backbone interact. energy: -0.038
local terms energy: -129.641873
where:
bonds (distance) C4'-P energy: -21.253
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -28.935
flat angles P-C4'-P energy: -22.390
tors. eta vs tors. theta energy: -40.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -441.084367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.084367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.084367 (E_RNA)
where:
Base-Base interactions energy: -316.547
where: short stacking energy: -130.967
Base-Backbone interact. energy: -0.041
local terms energy: -134.497313
where:
bonds (distance) C4'-P energy: -23.799
bonds (distance) P-C4' energy: -21.870
flat angles C4'-P-C4' energy: -21.490
flat angles P-C4'-P energy: -23.224
tors. eta vs tors. theta energy: -44.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -408.375227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.375227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.375227 (E_RNA)
where:
Base-Base interactions energy: -291.553
where: short stacking energy: -123.036
Base-Backbone interact. energy: -0.846
local terms energy: -125.976182
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -30.023
flat angles C4'-P-C4' energy: -24.764
flat angles P-C4'-P energy: -21.224
tors. eta vs tors. theta energy: -33.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -266.698936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.698936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.698936 (E_RNA)
where:
Base-Base interactions energy: -179.452
where: short stacking energy: -75.513
Base-Backbone interact. energy: 0.246
local terms energy: -97.493605
where:
bonds (distance) C4'-P energy: -15.496
bonds (distance) P-C4' energy: -26.985
flat angles C4'-P-C4' energy: -22.392
flat angles P-C4'-P energy: -16.267
tors. eta vs tors. theta energy: -16.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -258.720025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.720025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.720025 (E_RNA)
where:
Base-Base interactions energy: -181.991
where: short stacking energy: -81.131
Base-Backbone interact. energy: 0.825
local terms energy: -87.554394
where:
bonds (distance) C4'-P energy: -23.914
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -13.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -499.161566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.161566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.161566 (E_RNA)
where:
Base-Base interactions energy: -349.331
where: short stacking energy: -147.913
Base-Backbone interact. energy: -0.296
local terms energy: -159.535285
where:
bonds (distance) C4'-P energy: -26.827
bonds (distance) P-C4' energy: -32.965
flat angles C4'-P-C4' energy: -32.545
flat angles P-C4'-P energy: -23.030
tors. eta vs tors. theta energy: -44.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -485.907360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.907360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.907360 (E_RNA)
where:
Base-Base interactions energy: -341.301
where: short stacking energy: -141.199
Base-Backbone interact. energy: 0.281
local terms energy: -154.887441
where:
bonds (distance) C4'-P energy: -28.304
bonds (distance) P-C4' energy: -27.809
flat angles C4'-P-C4' energy: -31.650
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -43.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -478.009352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.009352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.009352 (E_RNA)
where:
Base-Base interactions energy: -338.323
where: short stacking energy: -143.194
Base-Backbone interact. energy: -0.012
local terms energy: -149.674709
where:
bonds (distance) C4'-P energy: -24.177
bonds (distance) P-C4' energy: -31.894
flat angles C4'-P-C4' energy: -27.929
flat angles P-C4'-P energy: -19.889
tors. eta vs tors. theta energy: -45.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -462.642056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.642056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.642056 (E_RNA)
where:
Base-Base interactions energy: -325.950
where: short stacking energy: -134.027
Base-Backbone interact. energy: -1.563
local terms energy: -145.129498
where:
bonds (distance) C4'-P energy: -23.633
bonds (distance) P-C4' energy: -26.589
flat angles C4'-P-C4' energy: -33.758
flat angles P-C4'-P energy: -20.316
tors. eta vs tors. theta energy: -40.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -465.834013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.834013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.834013 (E_RNA)
where:
Base-Base interactions energy: -335.826
where: short stacking energy: -139.572
Base-Backbone interact. energy: -0.101
local terms energy: -139.907327
where:
bonds (distance) C4'-P energy: -25.981
bonds (distance) P-C4' energy: -24.335
flat angles C4'-P-C4' energy: -28.298
flat angles P-C4'-P energy: -17.629
tors. eta vs tors. theta energy: -43.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -451.063893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.063893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.063893 (E_RNA)
where:
Base-Base interactions energy: -325.366
where: short stacking energy: -133.522
Base-Backbone interact. energy: -0.022
local terms energy: -135.676411
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -27.337
flat angles C4'-P-C4' energy: -28.481
flat angles P-C4'-P energy: -20.583
tors. eta vs tors. theta energy: -41.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -454.718384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.718384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.718384 (E_RNA)
where:
Base-Base interactions energy: -318.322
where: short stacking energy: -137.498
Base-Backbone interact. energy: -0.025
local terms energy: -146.372069
where:
bonds (distance) C4'-P energy: -28.399
bonds (distance) P-C4' energy: -31.102
flat angles C4'-P-C4' energy: -26.111
flat angles P-C4'-P energy: -18.419
tors. eta vs tors. theta energy: -42.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -436.232588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.232588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.232588 (E_RNA)
where:
Base-Base interactions energy: -318.610
where: short stacking energy: -128.971
Base-Backbone interact. energy: -0.393
local terms energy: -127.229396
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -27.322
flat angles P-C4'-P energy: -20.296
tors. eta vs tors. theta energy: -38.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -318.139884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.139884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.139884 (E_RNA)
where:
Base-Base interactions energy: -208.653
where: short stacking energy: -95.617
Base-Backbone interact. energy: 0.636
local terms energy: -120.123225
where:
bonds (distance) C4'-P energy: -23.915
bonds (distance) P-C4' energy: -25.108
flat angles C4'-P-C4' energy: -20.381
flat angles P-C4'-P energy: -22.198
tors. eta vs tors. theta energy: -28.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -298.518425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.518425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.518425 (E_RNA)
where:
Base-Base interactions energy: -188.867
where: short stacking energy: -79.281
Base-Backbone interact. energy: 0.258
local terms energy: -119.909296
where:
bonds (distance) C4'-P energy: -30.629
bonds (distance) P-C4' energy: -29.376
flat angles C4'-P-C4' energy: -22.970
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -494.826932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.826932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.826932 (E_RNA)
where:
Base-Base interactions energy: -354.784
where: short stacking energy: -150.329
Base-Backbone interact. energy: -0.004
local terms energy: -150.038398
where:
bonds (distance) C4'-P energy: -21.248
bonds (distance) P-C4' energy: -28.845
flat angles C4'-P-C4' energy: -31.093
flat angles P-C4'-P energy: -22.993
tors. eta vs tors. theta energy: -45.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -485.548226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.548226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.548226 (E_RNA)
where:
Base-Base interactions energy: -348.281
where: short stacking energy: -150.134
Base-Backbone interact. energy: -0.070
local terms energy: -147.196789
where:
bonds (distance) C4'-P energy: -23.207
bonds (distance) P-C4' energy: -25.625
flat angles C4'-P-C4' energy: -28.280
flat angles P-C4'-P energy: -24.837
tors. eta vs tors. theta energy: -45.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -486.536930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.536930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.536930 (E_RNA)
where:
Base-Base interactions energy: -354.039
where: short stacking energy: -151.750
Base-Backbone interact. energy: -0.004
local terms energy: -142.494197
where:
bonds (distance) C4'-P energy: -22.268
bonds (distance) P-C4' energy: -22.922
flat angles C4'-P-C4' energy: -28.647
flat angles P-C4'-P energy: -24.761
tors. eta vs tors. theta energy: -43.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -474.475958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.475958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.475958 (E_RNA)
where:
Base-Base interactions energy: -337.205
where: short stacking energy: -149.045
Base-Backbone interact. energy: -0.029
local terms energy: -147.241076
where:
bonds (distance) C4'-P energy: -26.698
bonds (distance) P-C4' energy: -27.557
flat angles C4'-P-C4' energy: -29.377
flat angles P-C4'-P energy: -17.944
tors. eta vs tors. theta energy: -45.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -461.888819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.888819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.888819 (E_RNA)
where:
Base-Base interactions energy: -331.982
where: short stacking energy: -137.717
Base-Backbone interact. energy: -0.158
local terms energy: -139.749031
where:
bonds (distance) C4'-P energy: -29.105
bonds (distance) P-C4' energy: -24.870
flat angles C4'-P-C4' energy: -26.834
flat angles P-C4'-P energy: -18.415
tors. eta vs tors. theta energy: -40.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -466.846057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.846057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.846057 (E_RNA)
where:
Base-Base interactions energy: -334.509
where: short stacking energy: -139.155
Base-Backbone interact. energy: -0.524
local terms energy: -141.812801
where:
bonds (distance) C4'-P energy: -20.150
bonds (distance) P-C4' energy: -28.532
flat angles C4'-P-C4' energy: -29.279
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -43.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -447.526207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.526207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.526207 (E_RNA)
where:
Base-Base interactions energy: -311.110
where: short stacking energy: -131.161
Base-Backbone interact. energy: -1.005
local terms energy: -145.410330
where:
bonds (distance) C4'-P energy: -26.183
bonds (distance) P-C4' energy: -27.923
flat angles C4'-P-C4' energy: -31.832
flat angles P-C4'-P energy: -21.429
tors. eta vs tors. theta energy: -38.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -454.015367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.015367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.015367 (E_RNA)
where:
Base-Base interactions energy: -316.667
where: short stacking energy: -131.573
Base-Backbone interact. energy: -0.012
local terms energy: -147.336238
where:
bonds (distance) C4'-P energy: -28.146
bonds (distance) P-C4' energy: -23.608
flat angles C4'-P-C4' energy: -31.785
flat angles P-C4'-P energy: -21.375
tors. eta vs tors. theta energy: -42.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -334.110568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.110568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.110568 (E_RNA)
where:
Base-Base interactions energy: -231.680
where: short stacking energy: -101.724
Base-Backbone interact. energy: 1.331
local terms energy: -113.761272
where:
bonds (distance) C4'-P energy: -21.326
bonds (distance) P-C4' energy: -23.922
flat angles C4'-P-C4' energy: -22.157
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: -28.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -276.121417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.121417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.121417 (E_RNA)
where:
Base-Base interactions energy: -189.704
where: short stacking energy: -83.129
Base-Backbone interact. energy: -0.027
local terms energy: -96.390246
where:
bonds (distance) C4'-P energy: -27.772
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -21.879
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -19.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -501.927926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.927926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.927926 (E_RNA)
where:
Base-Base interactions energy: -354.146
where: short stacking energy: -148.048
Base-Backbone interact. energy: 0.737
local terms energy: -158.518562
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -29.403
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -25.632
tors. eta vs tors. theta energy: -43.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -484.644932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.644932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.644932 (E_RNA)
where:
Base-Base interactions energy: -351.977
where: short stacking energy: -145.598
Base-Backbone interact. energy: -0.156
local terms energy: -142.512380
where:
bonds (distance) C4'-P energy: -23.441
bonds (distance) P-C4' energy: -29.015
flat angles C4'-P-C4' energy: -27.945
flat angles P-C4'-P energy: -18.122
tors. eta vs tors. theta energy: -43.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -485.569023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.569023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.569023 (E_RNA)
where:
Base-Base interactions energy: -346.399
where: short stacking energy: -144.561
Base-Backbone interact. energy: -0.591
local terms energy: -148.578805
where:
bonds (distance) C4'-P energy: -25.915
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -30.477
flat angles P-C4'-P energy: -21.961
tors. eta vs tors. theta energy: -47.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -469.778264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.778264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.778264 (E_RNA)
where:
Base-Base interactions energy: -337.712
where: short stacking energy: -140.417
Base-Backbone interact. energy: -0.304
local terms energy: -141.762739
where:
bonds (distance) C4'-P energy: -21.164
bonds (distance) P-C4' energy: -30.085
flat angles C4'-P-C4' energy: -25.383
flat angles P-C4'-P energy: -24.801
tors. eta vs tors. theta energy: -40.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -457.581802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.581802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.581802 (E_RNA)
where:
Base-Base interactions energy: -343.891
where: short stacking energy: -132.657
Base-Backbone interact. energy: -0.075
local terms energy: -123.616097
where:
bonds (distance) C4'-P energy: -22.480
bonds (distance) P-C4' energy: -21.873
flat angles C4'-P-C4' energy: -26.538
flat angles P-C4'-P energy: -15.239
tors. eta vs tors. theta energy: -37.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -449.240390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.240390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.240390 (E_RNA)
where:
Base-Base interactions energy: -319.664
where: short stacking energy: -134.341
Base-Backbone interact. energy: -0.086
local terms energy: -139.490350
where:
bonds (distance) C4'-P energy: -21.618
bonds (distance) P-C4' energy: -28.291
flat angles C4'-P-C4' energy: -29.908
flat angles P-C4'-P energy: -19.465
tors. eta vs tors. theta energy: -40.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -446.241966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.241966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.241966 (E_RNA)
where:
Base-Base interactions energy: -317.811
where: short stacking energy: -133.934
Base-Backbone interact. energy: -1.930
local terms energy: -136.500771
where:
bonds (distance) C4'-P energy: -26.304
bonds (distance) P-C4' energy: -22.071
flat angles C4'-P-C4' energy: -24.728
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -43.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -434.842894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.842894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.842894 (E_RNA)
where:
Base-Base interactions energy: -313.613
where: short stacking energy: -128.059
Base-Backbone interact. energy: 0.554
local terms energy: -131.784286
where:
bonds (distance) C4'-P energy: -23.506
bonds (distance) P-C4' energy: -27.568
flat angles C4'-P-C4' energy: -25.749
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -39.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -255.995179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.995179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.995179 (E_RNA)
where:
Base-Base interactions energy: -163.757
where: short stacking energy: -74.783
Base-Backbone interact. energy: -0.465
local terms energy: -101.772910
where:
bonds (distance) C4'-P energy: -25.100
bonds (distance) P-C4' energy: -25.028
flat angles C4'-P-C4' energy: -20.576
flat angles P-C4'-P energy: -15.305
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -268.648973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.648973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.648973 (E_RNA)
where:
Base-Base interactions energy: -167.787
where: short stacking energy: -87.205
Base-Backbone interact. energy: -0.877
local terms energy: -109.985560
where:
bonds (distance) C4'-P energy: -20.958
bonds (distance) P-C4' energy: -29.444
flat angles C4'-P-C4' energy: -22.043
flat angles P-C4'-P energy: -14.259
tors. eta vs tors. theta energy: -23.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -489.946330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.946330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.946330 (E_RNA)
where:
Base-Base interactions energy: -353.793
where: short stacking energy: -153.652
Base-Backbone interact. energy: -0.003
local terms energy: -146.150457
where:
bonds (distance) C4'-P energy: -26.099
bonds (distance) P-C4' energy: -26.562
flat angles C4'-P-C4' energy: -31.314
flat angles P-C4'-P energy: -16.328
tors. eta vs tors. theta energy: -45.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -485.672259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.672259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.672259 (E_RNA)
where:
Base-Base interactions energy: -348.881
where: short stacking energy: -143.752
Base-Backbone interact. energy: -0.337
local terms energy: -146.453701
where:
bonds (distance) C4'-P energy: -23.558
bonds (distance) P-C4' energy: -24.898
flat angles C4'-P-C4' energy: -28.098
flat angles P-C4'-P energy: -23.500
tors. eta vs tors. theta energy: -46.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -496.225655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.225655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.225655 (E_RNA)
where:
Base-Base interactions energy: -349.242
where: short stacking energy: -152.727
Base-Backbone interact. energy: -0.283
local terms energy: -156.701246
where:
bonds (distance) C4'-P energy: -25.995
bonds (distance) P-C4' energy: -28.559
flat angles C4'-P-C4' energy: -30.484
flat angles P-C4'-P energy: -25.921
tors. eta vs tors. theta energy: -45.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -463.968570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.968570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.968570 (E_RNA)
where:
Base-Base interactions energy: -332.938
where: short stacking energy: -133.166
Base-Backbone interact. energy: -0.167
local terms energy: -140.863137
where:
bonds (distance) C4'-P energy: -25.207
bonds (distance) P-C4' energy: -26.485
flat angles C4'-P-C4' energy: -31.207
flat angles P-C4'-P energy: -17.908
tors. eta vs tors. theta energy: -40.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -466.987885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.987885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.987885 (E_RNA)
where:
Base-Base interactions energy: -339.264
where: short stacking energy: -143.512
Base-Backbone interact. energy: -0.123
local terms energy: -137.600625
where:
bonds (distance) C4'-P energy: -23.525
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -28.141
flat angles P-C4'-P energy: -22.619
tors. eta vs tors. theta energy: -43.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -451.446534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.446534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.446534 (E_RNA)
where:
Base-Base interactions energy: -319.694
where: short stacking energy: -135.682
Base-Backbone interact. energy: -0.220
local terms energy: -141.532641
where:
bonds (distance) C4'-P energy: -23.492
bonds (distance) P-C4' energy: -27.137
flat angles C4'-P-C4' energy: -30.772
flat angles P-C4'-P energy: -16.560
tors. eta vs tors. theta energy: -43.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -436.306725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.306725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.306725 (E_RNA)
where:
Base-Base interactions energy: -315.436
where: short stacking energy: -135.544
Base-Backbone interact. energy: -0.225
local terms energy: -130.645342
where:
bonds (distance) C4'-P energy: -21.646
bonds (distance) P-C4' energy: -26.224
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -18.897
tors. eta vs tors. theta energy: -44.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -417.746600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.746600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.746600 (E_RNA)
where:
Base-Base interactions energy: -304.438
where: short stacking energy: -118.965
Base-Backbone interact. energy: -0.425
local terms energy: -122.883054
where:
bonds (distance) C4'-P energy: -22.695
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -27.172
flat angles P-C4'-P energy: -18.016
tors. eta vs tors. theta energy: -33.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -237.386185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.386185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.386185 (E_RNA)
where:
Base-Base interactions energy: -144.470
where: short stacking energy: -75.770
Base-Backbone interact. energy: -0.277
local terms energy: -102.639781
where:
bonds (distance) C4'-P energy: -25.920
bonds (distance) P-C4' energy: -24.136
flat angles C4'-P-C4' energy: -24.501
flat angles P-C4'-P energy: -13.991
tors. eta vs tors. theta energy: -14.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -275.679251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.679251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.679251 (E_RNA)
where:
Base-Base interactions energy: -191.325
where: short stacking energy: -80.168
Base-Backbone interact. energy: 1.721
local terms energy: -96.075305
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -23.526
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -500.083477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.083477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.083477 (E_RNA)
where:
Base-Base interactions energy: -354.329
where: short stacking energy: -146.658
Base-Backbone interact. energy: -0.011
local terms energy: -155.743859
where:
bonds (distance) C4'-P energy: -25.355
bonds (distance) P-C4' energy: -30.149
flat angles C4'-P-C4' energy: -31.278
flat angles P-C4'-P energy: -24.328
tors. eta vs tors. theta energy: -44.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -485.796263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.796263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.796263 (E_RNA)
where:
Base-Base interactions energy: -346.053
where: short stacking energy: -144.833
Base-Backbone interact. energy: -0.022
local terms energy: -149.721176
where:
bonds (distance) C4'-P energy: -27.641
bonds (distance) P-C4' energy: -24.034
flat angles C4'-P-C4' energy: -26.916
flat angles P-C4'-P energy: -23.698
tors. eta vs tors. theta energy: -47.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -487.580213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.580213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.580213 (E_RNA)
where:
Base-Base interactions energy: -339.581
where: short stacking energy: -145.324
Base-Backbone interact. energy: -0.578
local terms energy: -157.421227
where:
bonds (distance) C4'-P energy: -30.601
bonds (distance) P-C4' energy: -33.293
flat angles C4'-P-C4' energy: -31.896
flat angles P-C4'-P energy: -21.105
tors. eta vs tors. theta energy: -40.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -478.878721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.878721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.878721 (E_RNA)
where:
Base-Base interactions energy: -334.264
where: short stacking energy: -144.249
Base-Backbone interact. energy: -0.249
local terms energy: -154.365472
where:
bonds (distance) C4'-P energy: -28.047
bonds (distance) P-C4' energy: -28.757
flat angles C4'-P-C4' energy: -32.259
flat angles P-C4'-P energy: -22.890
tors. eta vs tors. theta energy: -42.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -455.480730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.480730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.480730 (E_RNA)
where:
Base-Base interactions energy: -332.639
where: short stacking energy: -135.501
Base-Backbone interact. energy: -0.085
local terms energy: -132.756458
where:
bonds (distance) C4'-P energy: -22.962
bonds (distance) P-C4' energy: -25.113
flat angles C4'-P-C4' energy: -25.710
flat angles P-C4'-P energy: -19.475
tors. eta vs tors. theta energy: -39.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -454.635639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.635639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.635639 (E_RNA)
where:
Base-Base interactions energy: -326.578
where: short stacking energy: -132.252
Base-Backbone interact. energy: -0.182
local terms energy: -137.876031
where:
bonds (distance) C4'-P energy: -28.684
bonds (distance) P-C4' energy: -24.439
flat angles C4'-P-C4' energy: -27.463
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -38.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -445.415497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.415497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.415497 (E_RNA)
where:
Base-Base interactions energy: -321.294
where: short stacking energy: -128.058
Base-Backbone interact. energy: -0.112
local terms energy: -134.009389
where:
bonds (distance) C4'-P energy: -25.372
bonds (distance) P-C4' energy: -21.777
flat angles C4'-P-C4' energy: -26.358
flat angles P-C4'-P energy: -22.229
tors. eta vs tors. theta energy: -38.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -408.184909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.184909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.184909 (E_RNA)
where:
Base-Base interactions energy: -301.180
where: short stacking energy: -125.782
Base-Backbone interact. energy: -0.233
local terms energy: -116.772253
where:
bonds (distance) C4'-P energy: -14.979
bonds (distance) P-C4' energy: -23.301
flat angles C4'-P-C4' energy: -27.080
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -41.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -324.435637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.435637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.435637 (E_RNA)
where:
Base-Base interactions energy: -223.350
where: short stacking energy: -98.971
Base-Backbone interact. energy: -0.500
local terms energy: -110.585772
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -27.652
flat angles C4'-P-C4' energy: -22.469
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -26.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -225.564407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.564407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.564407 (E_RNA)
where:
Base-Base interactions energy: -156.968
where: short stacking energy: -78.395
Base-Backbone interact. energy: 2.327
local terms energy: -80.922640
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -17.523
tors. eta vs tors. theta energy: -8.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -500.982991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.982991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.982991 (E_RNA)
where:
Base-Base interactions energy: -354.452
where: short stacking energy: -159.543
Base-Backbone interact. energy: -0.240
local terms energy: -156.291340
where:
bonds (distance) C4'-P energy: -23.210
bonds (distance) P-C4' energy: -27.334
flat angles C4'-P-C4' energy: -34.243
flat angles P-C4'-P energy: -23.296
tors. eta vs tors. theta energy: -48.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -490.033571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.033571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.033571 (E_RNA)
where:
Base-Base interactions energy: -349.924
where: short stacking energy: -148.179
Base-Backbone interact. energy: -0.049
local terms energy: -150.060928
where:
bonds (distance) C4'-P energy: -26.359
bonds (distance) P-C4' energy: -25.189
flat angles C4'-P-C4' energy: -30.925
flat angles P-C4'-P energy: -21.856
tors. eta vs tors. theta energy: -45.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -470.077969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.077969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.077969 (E_RNA)
where:
Base-Base interactions energy: -330.928
where: short stacking energy: -133.242
Base-Backbone interact. energy: -0.265
local terms energy: -148.885174
where:
bonds (distance) C4'-P energy: -28.782
bonds (distance) P-C4' energy: -31.329
flat angles C4'-P-C4' energy: -29.554
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -40.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -487.046814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.046814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.046814 (E_RNA)
where:
Base-Base interactions energy: -348.648
where: short stacking energy: -152.111
Base-Backbone interact. energy: -0.460
local terms energy: -147.938833
where:
bonds (distance) C4'-P energy: -24.834
bonds (distance) P-C4' energy: -23.007
flat angles C4'-P-C4' energy: -30.722
flat angles P-C4'-P energy: -21.675
tors. eta vs tors. theta energy: -47.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -458.407163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.407163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.407163 (E_RNA)
where:
Base-Base interactions energy: -322.462
where: short stacking energy: -138.822
Base-Backbone interact. energy: -0.009
local terms energy: -145.935894
where:
bonds (distance) C4'-P energy: -24.148
bonds (distance) P-C4' energy: -24.039
flat angles C4'-P-C4' energy: -30.110
flat angles P-C4'-P energy: -22.328
tors. eta vs tors. theta energy: -45.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -429.027592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.027592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.027592 (E_RNA)
where:
Base-Base interactions energy: -303.419
where: short stacking energy: -117.164
Base-Backbone interact. energy: -0.892
local terms energy: -134.716262
where:
bonds (distance) C4'-P energy: -29.798
bonds (distance) P-C4' energy: -20.570
flat angles C4'-P-C4' energy: -27.025
flat angles P-C4'-P energy: -20.291
tors. eta vs tors. theta energy: -37.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -436.961860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.961860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.961860 (E_RNA)
where:
Base-Base interactions energy: -316.746
where: short stacking energy: -124.195
Base-Backbone interact. energy: -0.717
local terms energy: -129.498726
where:
bonds (distance) C4'-P energy: -23.780
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -27.344
flat angles P-C4'-P energy: -21.769
tors. eta vs tors. theta energy: -36.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -396.239063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.239063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.239063 (E_RNA)
where:
Base-Base interactions energy: -288.300
where: short stacking energy: -110.663
Base-Backbone interact. energy: -0.182
local terms energy: -117.756333
where:
bonds (distance) C4'-P energy: -23.773
bonds (distance) P-C4' energy: -21.939
flat angles C4'-P-C4' energy: -24.184
flat angles P-C4'-P energy: -18.416
tors. eta vs tors. theta energy: -29.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -377.014517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.014517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.014517 (E_RNA)
where:
Base-Base interactions energy: -278.190
where: short stacking energy: -114.574
Base-Backbone interact. energy: -0.266
local terms energy: -108.558962
where:
bonds (distance) C4'-P energy: -20.541
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -25.867
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: -31.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -233.396650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.396650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.396650 (E_RNA)
where:
Base-Base interactions energy: -162.457
where: short stacking energy: -74.755
Base-Backbone interact. energy: -0.224
local terms energy: -80.716151
where:
bonds (distance) C4'-P energy: -20.959
bonds (distance) P-C4' energy: -26.813
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -9.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -491.271797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.271797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.271797 (E_RNA)
where:
Base-Base interactions energy: -353.379
where: short stacking energy: -152.213
Base-Backbone interact. energy: -1.291
local terms energy: -146.601825
where:
bonds (distance) C4'-P energy: -26.838
bonds (distance) P-C4' energy: -22.682
flat angles C4'-P-C4' energy: -31.926
flat angles P-C4'-P energy: -20.566
tors. eta vs tors. theta energy: -44.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -491.921499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.921499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.921499 (E_RNA)
where:
Base-Base interactions energy: -347.490
where: short stacking energy: -150.781
Base-Backbone interact. energy: -0.007
local terms energy: -154.424771
where:
bonds (distance) C4'-P energy: -21.461
bonds (distance) P-C4' energy: -27.744
flat angles C4'-P-C4' energy: -31.095
flat angles P-C4'-P energy: -25.457
tors. eta vs tors. theta energy: -48.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -488.450230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.450230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.450230 (E_RNA)
where:
Base-Base interactions energy: -352.096
where: short stacking energy: -146.656
Base-Backbone interact. energy: -0.455
local terms energy: -145.898916
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -30.428
flat angles C4'-P-C4' energy: -31.141
flat angles P-C4'-P energy: -19.354
tors. eta vs tors. theta energy: -45.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -479.573929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.573929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.573929 (E_RNA)
where:
Base-Base interactions energy: -343.845
where: short stacking energy: -133.777
Base-Backbone interact. energy: -0.141
local terms energy: -145.587673
where:
bonds (distance) C4'-P energy: -23.137
bonds (distance) P-C4' energy: -27.578
flat angles C4'-P-C4' energy: -31.561
flat angles P-C4'-P energy: -19.905
tors. eta vs tors. theta energy: -43.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -455.930510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.930510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.930510 (E_RNA)
where:
Base-Base interactions energy: -323.990
where: short stacking energy: -135.182
Base-Backbone interact. energy: -0.240
local terms energy: -141.700726
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -26.482
flat angles C4'-P-C4' energy: -29.705
flat angles P-C4'-P energy: -21.063
tors. eta vs tors. theta energy: -44.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -451.704504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.704504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.704504 (E_RNA)
where:
Base-Base interactions energy: -313.216
where: short stacking energy: -137.225
Base-Backbone interact. energy: -0.803
local terms energy: -147.685897
where:
bonds (distance) C4'-P energy: -28.294
bonds (distance) P-C4' energy: -27.742
flat angles C4'-P-C4' energy: -31.331
flat angles P-C4'-P energy: -17.363
tors. eta vs tors. theta energy: -42.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -425.872418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.872418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.872418 (E_RNA)
where:
Base-Base interactions energy: -314.734
where: short stacking energy: -126.521
Base-Backbone interact. energy: -0.111
local terms energy: -121.027749
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -22.682
flat angles C4'-P-C4' energy: -30.017
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -36.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -407.213591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.213591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.213591 (E_RNA)
where:
Base-Base interactions energy: -292.058
where: short stacking energy: -124.650
Base-Backbone interact. energy: -0.048
local terms energy: -125.107698
where:
bonds (distance) C4'-P energy: -26.357
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -29.228
flat angles P-C4'-P energy: -20.262
tors. eta vs tors. theta energy: -33.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -400.218008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.218008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.218008 (E_RNA)
where:
Base-Base interactions energy: -293.790
where: short stacking energy: -120.164
Base-Backbone interact. energy: 1.660
local terms energy: -118.087966
where:
bonds (distance) C4'-P energy: -24.500
bonds (distance) P-C4' energy: -17.143
flat angles C4'-P-C4' energy: -22.003
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -38.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -256.656013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.656013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.656013 (E_RNA)
where:
Base-Base interactions energy: -170.749
where: short stacking energy: -79.580
Base-Backbone interact. energy: 0.925
local terms energy: -96.831874
where:
bonds (distance) C4'-P energy: -21.154
bonds (distance) P-C4' energy: -23.765
flat angles C4'-P-C4' energy: -23.147
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -496.939771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.939771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.939771 (E_RNA)
where:
Base-Base interactions energy: -350.079
where: short stacking energy: -152.865
Base-Backbone interact. energy: -0.648
local terms energy: -156.213459
where:
bonds (distance) C4'-P energy: -28.740
bonds (distance) P-C4' energy: -28.702
flat angles C4'-P-C4' energy: -30.867
flat angles P-C4'-P energy: -21.614
tors. eta vs tors. theta energy: -46.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -496.758781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.758781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.758781 (E_RNA)
where:
Base-Base interactions energy: -350.170
where: short stacking energy: -152.527
Base-Backbone interact. energy: -0.012
local terms energy: -156.577537
where:
bonds (distance) C4'-P energy: -25.843
bonds (distance) P-C4' energy: -30.768
flat angles C4'-P-C4' energy: -34.809
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -43.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -476.214066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.214066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.214066 (E_RNA)
where:
Base-Base interactions energy: -341.463
where: short stacking energy: -135.821
Base-Backbone interact. energy: -0.093
local terms energy: -144.658112
where:
bonds (distance) C4'-P energy: -26.793
bonds (distance) P-C4' energy: -25.242
flat angles C4'-P-C4' energy: -28.681
flat angles P-C4'-P energy: -20.545
tors. eta vs tors. theta energy: -43.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -471.966342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.966342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.966342 (E_RNA)
where:
Base-Base interactions energy: -336.402
where: short stacking energy: -136.916
Base-Backbone interact. energy: -0.652
local terms energy: -144.911875
where:
bonds (distance) C4'-P energy: -28.659
bonds (distance) P-C4' energy: -22.974
flat angles C4'-P-C4' energy: -31.470
flat angles P-C4'-P energy: -19.704
tors. eta vs tors. theta energy: -42.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -461.018483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.018483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.018483 (E_RNA)
where:
Base-Base interactions energy: -326.640
where: short stacking energy: -123.435
Base-Backbone interact. energy: 0.602
local terms energy: -144.980147
where:
bonds (distance) C4'-P energy: -23.645
bonds (distance) P-C4' energy: -30.213
flat angles C4'-P-C4' energy: -31.420
flat angles P-C4'-P energy: -21.546
tors. eta vs tors. theta energy: -38.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -457.294549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.294549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.294549 (E_RNA)
where:
Base-Base interactions energy: -331.839
where: short stacking energy: -139.270
Base-Backbone interact. energy: -0.163
local terms energy: -135.292313
where:
bonds (distance) C4'-P energy: -21.799
bonds (distance) P-C4' energy: -21.732
flat angles C4'-P-C4' energy: -28.820
flat angles P-C4'-P energy: -22.206
tors. eta vs tors. theta energy: -40.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -435.165977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.165977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.165977 (E_RNA)
where:
Base-Base interactions energy: -311.688
where: short stacking energy: -129.792
Base-Backbone interact. energy: 0.101
local terms energy: -133.578846
where:
bonds (distance) C4'-P energy: -24.365
bonds (distance) P-C4' energy: -27.180
flat angles C4'-P-C4' energy: -28.398
flat angles P-C4'-P energy: -17.764
tors. eta vs tors. theta energy: -35.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -420.660487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.660487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.660487 (E_RNA)
where:
Base-Base interactions energy: -309.148
where: short stacking energy: -122.745
Base-Backbone interact. energy: -0.285
local terms energy: -121.227405
where:
bonds (distance) C4'-P energy: -24.847
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -29.483
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -36.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -413.538776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.538776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.538776 (E_RNA)
where:
Base-Base interactions energy: -292.396
where: short stacking energy: -118.938
Base-Backbone interact. energy: -0.030
local terms energy: -131.113337
where:
bonds (distance) C4'-P energy: -23.396
bonds (distance) P-C4' energy: -25.958
flat angles C4'-P-C4' energy: -30.282
flat angles P-C4'-P energy: -15.861
tors. eta vs tors. theta energy: -35.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -295.782510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.782510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.782510 (E_RNA)
where:
Base-Base interactions energy: -212.688
where: short stacking energy: -85.926
Base-Backbone interact. energy: 0.401
local terms energy: -93.495598
where:
bonds (distance) C4'-P energy: -25.898
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -21.886
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -495.384338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.384338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.384338 (E_RNA)
where:
Base-Base interactions energy: -354.078
where: short stacking energy: -147.823
Base-Backbone interact. energy: -0.164
local terms energy: -151.142677
where:
bonds (distance) C4'-P energy: -28.369
bonds (distance) P-C4' energy: -26.642
flat angles C4'-P-C4' energy: -32.130
flat angles P-C4'-P energy: -19.289
tors. eta vs tors. theta energy: -44.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -488.329935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.329935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.329935 (E_RNA)
where:
Base-Base interactions energy: -349.249
where: short stacking energy: -142.183
Base-Backbone interact. energy: -0.046
local terms energy: -149.034972
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -28.734
flat angles C4'-P-C4' energy: -32.554
flat angles P-C4'-P energy: -23.961
tors. eta vs tors. theta energy: -43.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -475.547153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.547153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.547153 (E_RNA)
where:
Base-Base interactions energy: -343.810
where: short stacking energy: -133.313
Base-Backbone interact. energy: -0.047
local terms energy: -141.689846
where:
bonds (distance) C4'-P energy: -23.888
bonds (distance) P-C4' energy: -26.099
flat angles C4'-P-C4' energy: -31.306
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -43.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -474.156869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.156869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.156869 (E_RNA)
where:
Base-Base interactions energy: -341.787
where: short stacking energy: -143.422
Base-Backbone interact. energy: -0.105
local terms energy: -142.264583
where:
bonds (distance) C4'-P energy: -26.244
bonds (distance) P-C4' energy: -22.072
flat angles C4'-P-C4' energy: -27.219
flat angles P-C4'-P energy: -23.792
tors. eta vs tors. theta energy: -42.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -473.284949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.284949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.284949 (E_RNA)
where:
Base-Base interactions energy: -332.287
where: short stacking energy: -140.794
Base-Backbone interact. energy: -0.067
local terms energy: -150.930618
where:
bonds (distance) C4'-P energy: -27.027
bonds (distance) P-C4' energy: -30.818
flat angles C4'-P-C4' energy: -28.885
flat angles P-C4'-P energy: -21.153
tors. eta vs tors. theta energy: -43.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -459.545439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.545439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.545439 (E_RNA)
where:
Base-Base interactions energy: -333.827
where: short stacking energy: -133.887
Base-Backbone interact. energy: -0.161
local terms energy: -135.557538
where:
bonds (distance) C4'-P energy: -20.105
bonds (distance) P-C4' energy: -27.016
flat angles C4'-P-C4' energy: -30.456
flat angles P-C4'-P energy: -18.428
tors. eta vs tors. theta energy: -39.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -458.222321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.222321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.222321 (E_RNA)
where:
Base-Base interactions energy: -324.926
where: short stacking energy: -138.118
Base-Backbone interact. energy: -0.004
local terms energy: -143.292440
where:
bonds (distance) C4'-P energy: -21.816
bonds (distance) P-C4' energy: -25.648
flat angles C4'-P-C4' energy: -24.494
flat angles P-C4'-P energy: -25.515
tors. eta vs tors. theta energy: -45.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -419.235731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.235731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.235731 (E_RNA)
where:
Base-Base interactions energy: -296.245
where: short stacking energy: -124.117
Base-Backbone interact. energy: 2.103
local terms energy: -135.093883
where:
bonds (distance) C4'-P energy: -25.931
bonds (distance) P-C4' energy: -22.328
flat angles C4'-P-C4' energy: -28.895
flat angles P-C4'-P energy: -19.383
tors. eta vs tors. theta energy: -38.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -409.983550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.983550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.983550 (E_RNA)
where:
Base-Base interactions energy: -291.823
where: short stacking energy: -116.513
Base-Backbone interact. energy: -0.656
local terms energy: -127.504245
where:
bonds (distance) C4'-P energy: -25.975
bonds (distance) P-C4' energy: -28.408
flat angles C4'-P-C4' energy: -22.667
flat angles P-C4'-P energy: -16.321
tors. eta vs tors. theta energy: -34.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -306.605284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.605284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -316.605284 (E_RNA)
where:
Base-Base interactions energy: -205.699
where: short stacking energy: -86.531
Base-Backbone interact. energy: -0.770
local terms energy: -110.137174
where:
bonds (distance) C4'-P energy: -24.169
bonds (distance) P-C4' energy: -26.184
flat angles C4'-P-C4' energy: -23.423
flat angles P-C4'-P energy: -16.260
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -489.072170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.072170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.072170 (E_RNA)
where:
Base-Base interactions energy: -355.337
where: short stacking energy: -152.535
Base-Backbone interact. energy: -0.712
local terms energy: -143.022703
where:
bonds (distance) C4'-P energy: -23.741
bonds (distance) P-C4' energy: -24.530
flat angles C4'-P-C4' energy: -31.338
flat angles P-C4'-P energy: -21.465
tors. eta vs tors. theta energy: -41.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -487.459031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.459031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.459031 (E_RNA)
where:
Base-Base interactions energy: -342.329
where: short stacking energy: -147.730
Base-Backbone interact. energy: -0.642
local terms energy: -154.487919
where:
bonds (distance) C4'-P energy: -27.492
bonds (distance) P-C4' energy: -31.085
flat angles C4'-P-C4' energy: -29.092
flat angles P-C4'-P energy: -24.431
tors. eta vs tors. theta energy: -42.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -473.974970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.974970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.974970 (E_RNA)
where:
Base-Base interactions energy: -338.003
where: short stacking energy: -136.582
Base-Backbone interact. energy: -0.034
local terms energy: -145.938630
where:
bonds (distance) C4'-P energy: -26.523
bonds (distance) P-C4' energy: -30.114
flat angles C4'-P-C4' energy: -28.034
flat angles P-C4'-P energy: -19.745
tors. eta vs tors. theta energy: -41.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -475.185200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.185200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.185200 (E_RNA)
where:
Base-Base interactions energy: -337.446
where: short stacking energy: -130.584
Base-Backbone interact. energy: -0.166
local terms energy: -147.573609
where:
bonds (distance) C4'-P energy: -25.473
bonds (distance) P-C4' energy: -28.262
flat angles C4'-P-C4' energy: -30.386
flat angles P-C4'-P energy: -21.066
tors. eta vs tors. theta energy: -42.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -460.812308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.812308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.812308 (E_RNA)
where:
Base-Base interactions energy: -324.774
where: short stacking energy: -131.153
Base-Backbone interact. energy: -0.061
local terms energy: -145.978060
where:
bonds (distance) C4'-P energy: -29.562
bonds (distance) P-C4' energy: -27.904
flat angles C4'-P-C4' energy: -24.447
flat angles P-C4'-P energy: -21.632
tors. eta vs tors. theta energy: -42.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -448.339789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.339789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.339789 (E_RNA)
where:
Base-Base interactions energy: -322.255
where: short stacking energy: -131.703
Base-Backbone interact. energy: 0.520
local terms energy: -136.604762
where:
bonds (distance) C4'-P energy: -24.730
bonds (distance) P-C4' energy: -22.399
flat angles C4'-P-C4' energy: -26.681
flat angles P-C4'-P energy: -18.963
tors. eta vs tors. theta energy: -43.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -457.353408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.353408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.353408 (E_RNA)
where:
Base-Base interactions energy: -323.253
where: short stacking energy: -138.368
Base-Backbone interact. energy: 0.780
local terms energy: -144.881116
where:
bonds (distance) C4'-P energy: -25.290
bonds (distance) P-C4' energy: -26.074
flat angles C4'-P-C4' energy: -30.607
flat angles P-C4'-P energy: -20.249
tors. eta vs tors. theta energy: -42.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -430.763969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.763969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.763969 (E_RNA)
where:
Base-Base interactions energy: -318.636
where: short stacking energy: -129.358
Base-Backbone interact. energy: -0.120
local terms energy: -122.008094
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -23.509
flat angles C4'-P-C4' energy: -28.167
flat angles P-C4'-P energy: -16.425
tors. eta vs tors. theta energy: -41.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -417.446359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.446359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.446359 (E_RNA)
where:
Base-Base interactions energy: -307.886
where: short stacking energy: -126.435
Base-Backbone interact. energy: 0.475
local terms energy: -120.034986
where:
bonds (distance) C4'-P energy: -19.957
bonds (distance) P-C4' energy: -23.493
flat angles C4'-P-C4' energy: -28.200
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -39.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -251.383436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.383436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.383436 (E_RNA)
where:
Base-Base interactions energy: -162.968
where: short stacking energy: -69.896
Base-Backbone interact. energy: -0.030
local terms energy: -98.385044
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -26.777
flat angles C4'-P-C4' energy: -22.683
flat angles P-C4'-P energy: -19.334
tors. eta vs tors. theta energy: -14.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -501.790722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.790722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.790722 (E_RNA)
where:
Base-Base interactions energy: -358.714
where: short stacking energy: -151.928
Base-Backbone interact. energy: -0.014
local terms energy: -153.063358
where:
bonds (distance) C4'-P energy: -23.256
bonds (distance) P-C4' energy: -24.982
flat angles C4'-P-C4' energy: -32.325
flat angles P-C4'-P energy: -25.943
tors. eta vs tors. theta energy: -46.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -492.663524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.663524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.663524 (E_RNA)
where:
Base-Base interactions energy: -347.976
where: short stacking energy: -147.469
Base-Backbone interact. energy: -0.251
local terms energy: -154.437174
where:
bonds (distance) C4'-P energy: -24.186
bonds (distance) P-C4' energy: -30.508
flat angles C4'-P-C4' energy: -29.526
flat angles P-C4'-P energy: -23.079
tors. eta vs tors. theta energy: -47.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -488.286451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.286451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.286451 (E_RNA)
where:
Base-Base interactions energy: -349.676
where: short stacking energy: -152.734
Base-Backbone interact. energy: -0.003
local terms energy: -148.607143
where:
bonds (distance) C4'-P energy: -27.617
bonds (distance) P-C4' energy: -23.449
flat angles C4'-P-C4' energy: -29.517
flat angles P-C4'-P energy: -25.018
tors. eta vs tors. theta energy: -43.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -468.946042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.946042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.946042 (E_RNA)
where:
Base-Base interactions energy: -336.199
where: short stacking energy: -137.814
Base-Backbone interact. energy: -0.053
local terms energy: -142.693719
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -25.422
flat angles C4'-P-C4' energy: -33.209
flat angles P-C4'-P energy: -20.397
tors. eta vs tors. theta energy: -44.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -458.473015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.473015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.473015 (E_RNA)
where:
Base-Base interactions energy: -336.013
where: short stacking energy: -149.461
Base-Backbone interact. energy: -0.003
local terms energy: -132.456995
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -32.564
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -44.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -452.339346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.339346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.339346 (E_RNA)
where:
Base-Base interactions energy: -320.456
where: short stacking energy: -132.949
Base-Backbone interact. energy: -0.905
local terms energy: -140.978311
where:
bonds (distance) C4'-P energy: -28.967
bonds (distance) P-C4' energy: -24.303
flat angles C4'-P-C4' energy: -27.626
flat angles P-C4'-P energy: -19.482
tors. eta vs tors. theta energy: -40.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -454.833685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.833685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.833685 (E_RNA)
where:
Base-Base interactions energy: -318.349
where: short stacking energy: -136.055
Base-Backbone interact. energy: -0.002
local terms energy: -146.482446
where:
bonds (distance) C4'-P energy: -24.168
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -29.770
flat angles P-C4'-P energy: -21.307
tors. eta vs tors. theta energy: -46.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -434.004290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.004290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.004290 (E_RNA)
where:
Base-Base interactions energy: -323.614
where: short stacking energy: -139.012
Base-Backbone interact. energy: -0.068
local terms energy: -120.322360
where:
bonds (distance) C4'-P energy: -23.268
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -29.630
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -39.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -407.087473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.087473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.087473 (E_RNA)
where:
Base-Base interactions energy: -286.505
where: short stacking energy: -111.089
Base-Backbone interact. energy: -0.498
local terms energy: -130.084761
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -26.068
flat angles C4'-P-C4' energy: -31.747
flat angles P-C4'-P energy: -17.389
tors. eta vs tors. theta energy: -36.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -253.498490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.498490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.498490 (E_RNA)
where:
Base-Base interactions energy: -156.283
where: short stacking energy: -63.093
Base-Backbone interact. energy: -0.248
local terms energy: -106.967817
where:
bonds (distance) C4'-P energy: -20.267
bonds (distance) P-C4' energy: -27.194
flat angles C4'-P-C4' energy: -28.094
flat angles P-C4'-P energy: -15.085
tors. eta vs tors. theta energy: -16.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -489.051613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.051613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.051613 (E_RNA)
where:
Base-Base interactions energy: -348.224
where: short stacking energy: -144.218
Base-Backbone interact. energy: -0.158
local terms energy: -150.669659
where:
bonds (distance) C4'-P energy: -26.736
bonds (distance) P-C4' energy: -24.291
flat angles C4'-P-C4' energy: -29.701
flat angles P-C4'-P energy: -26.940
tors. eta vs tors. theta energy: -43.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -489.896171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.896171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.896171 (E_RNA)
where:
Base-Base interactions energy: -350.430
where: short stacking energy: -148.000
Base-Backbone interact. energy: -0.649
local terms energy: -148.817165
where:
bonds (distance) C4'-P energy: -20.992
bonds (distance) P-C4' energy: -29.381
flat angles C4'-P-C4' energy: -31.645
flat angles P-C4'-P energy: -20.648
tors. eta vs tors. theta energy: -46.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -480.303075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.303075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.303075 (E_RNA)
where:
Base-Base interactions energy: -339.101
where: short stacking energy: -143.644
Base-Backbone interact. energy: 2.159
local terms energy: -153.361363
where:
bonds (distance) C4'-P energy: -26.019
bonds (distance) P-C4' energy: -31.905
flat angles C4'-P-C4' energy: -28.666
flat angles P-C4'-P energy: -24.253
tors. eta vs tors. theta energy: -42.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -474.296518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.296518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.296518 (E_RNA)
where:
Base-Base interactions energy: -335.403
where: short stacking energy: -134.539
Base-Backbone interact. energy: -0.011
local terms energy: -148.882233
where:
bonds (distance) C4'-P energy: -26.746
bonds (distance) P-C4' energy: -26.916
flat angles C4'-P-C4' energy: -27.935
flat angles P-C4'-P energy: -22.100
tors. eta vs tors. theta energy: -45.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -468.301673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.301673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.301673 (E_RNA)
where:
Base-Base interactions energy: -340.637
where: short stacking energy: -143.161
Base-Backbone interact. energy: -0.050
local terms energy: -137.614783
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -30.579
flat angles C4'-P-C4' energy: -23.957
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -46.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -437.115746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.115746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.115746 (E_RNA)
where:
Base-Base interactions energy: -306.370
where: short stacking energy: -130.280
Base-Backbone interact. energy: 0.007
local terms energy: -140.752343
where:
bonds (distance) C4'-P energy: -26.899
bonds (distance) P-C4' energy: -24.991
flat angles C4'-P-C4' energy: -31.761
flat angles P-C4'-P energy: -19.234
tors. eta vs tors. theta energy: -37.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -419.575145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.575145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.575145 (E_RNA)
where:
Base-Base interactions energy: -301.646
where: short stacking energy: -122.587
Base-Backbone interact. energy: -0.177
local terms energy: -127.752241
where:
bonds (distance) C4'-P energy: -21.301
bonds (distance) P-C4' energy: -28.394
flat angles C4'-P-C4' energy: -28.566
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -36.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -421.193035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.193035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.193035 (E_RNA)
where:
Base-Base interactions energy: -308.714
where: short stacking energy: -131.179
Base-Backbone interact. energy: -0.206
local terms energy: -122.273445
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -22.630
flat angles C4'-P-C4' energy: -25.273
flat angles P-C4'-P energy: -21.593
tors. eta vs tors. theta energy: -35.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -430.963498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.963498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.963498 (E_RNA)
where:
Base-Base interactions energy: -304.822
where: short stacking energy: -134.667
Base-Backbone interact. energy: -0.008
local terms energy: -136.132955
where:
bonds (distance) C4'-P energy: -26.372
bonds (distance) P-C4' energy: -22.487
flat angles C4'-P-C4' energy: -27.614
flat angles P-C4'-P energy: -19.038
tors. eta vs tors. theta energy: -40.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -228.534926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.534926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.534926 (E_RNA)
where:
Base-Base interactions energy: -132.023
where: short stacking energy: -67.153
Base-Backbone interact. energy: -0.144
local terms energy: -106.367586
where:
bonds (distance) C4'-P energy: -30.303
bonds (distance) P-C4' energy: -22.933
flat angles C4'-P-C4' energy: -27.228
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -10.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -496.814776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.814776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.814776 (E_RNA)
where:
Base-Base interactions energy: -358.066
where: short stacking energy: -155.805
Base-Backbone interact. energy: -0.124
local terms energy: -148.624833
where:
bonds (distance) C4'-P energy: -30.060
bonds (distance) P-C4' energy: -27.452
flat angles C4'-P-C4' energy: -33.029
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -45.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -491.564865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.564865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.564865 (E_RNA)
where:
Base-Base interactions energy: -345.645
where: short stacking energy: -147.751
Base-Backbone interact. energy: 0.660
local terms energy: -156.579782
where:
bonds (distance) C4'-P energy: -20.747
bonds (distance) P-C4' energy: -31.280
flat angles C4'-P-C4' energy: -30.983
flat angles P-C4'-P energy: -28.412
tors. eta vs tors. theta energy: -45.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -490.826095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.826095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.826095 (E_RNA)
where:
Base-Base interactions energy: -344.413
where: short stacking energy: -137.692
Base-Backbone interact. energy: -0.131
local terms energy: -156.282473
where:
bonds (distance) C4'-P energy: -31.396
bonds (distance) P-C4' energy: -28.544
flat angles C4'-P-C4' energy: -30.215
flat angles P-C4'-P energy: -22.002
tors. eta vs tors. theta energy: -44.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -479.965573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.965573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.965573 (E_RNA)
where:
Base-Base interactions energy: -343.311
where: short stacking energy: -140.554
Base-Backbone interact. energy: -0.370
local terms energy: -146.283786
where:
bonds (distance) C4'-P energy: -24.335
bonds (distance) P-C4' energy: -28.772
flat angles C4'-P-C4' energy: -29.916
flat angles P-C4'-P energy: -21.540
tors. eta vs tors. theta energy: -41.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -465.085503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.085503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.085503 (E_RNA)
where:
Base-Base interactions energy: -333.434
where: short stacking energy: -144.275
Base-Backbone interact. energy: -0.243
local terms energy: -141.408364
where:
bonds (distance) C4'-P energy: -26.850
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -30.472
flat angles P-C4'-P energy: -21.880
tors. eta vs tors. theta energy: -43.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -445.710284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.710284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.710284 (E_RNA)
where:
Base-Base interactions energy: -317.114
where: short stacking energy: -130.334
Base-Backbone interact. energy: -0.458
local terms energy: -138.137999
where:
bonds (distance) C4'-P energy: -22.142
bonds (distance) P-C4' energy: -26.970
flat angles C4'-P-C4' energy: -26.409
flat angles P-C4'-P energy: -23.475
tors. eta vs tors. theta energy: -39.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -437.918524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.918524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.918524 (E_RNA)
where:
Base-Base interactions energy: -320.087
where: short stacking energy: -126.423
Base-Backbone interact. energy: -0.331
local terms energy: -127.500114
where:
bonds (distance) C4'-P energy: -20.847
bonds (distance) P-C4' energy: -25.831
flat angles C4'-P-C4' energy: -27.844
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -38.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -441.300950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.300950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.300950 (E_RNA)
where:
Base-Base interactions energy: -315.582
where: short stacking energy: -137.056
Base-Backbone interact. energy: -0.437
local terms energy: -135.282504
where:
bonds (distance) C4'-P energy: -21.669
bonds (distance) P-C4' energy: -20.888
flat angles C4'-P-C4' energy: -26.711
flat angles P-C4'-P energy: -22.687
tors. eta vs tors. theta energy: -43.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -424.614589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.614589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.614589 (E_RNA)
where:
Base-Base interactions energy: -314.735
where: short stacking energy: -130.920
Base-Backbone interact. energy: -0.170
local terms energy: -119.709223
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -20.617
flat angles P-C4'-P energy: -19.495
tors. eta vs tors. theta energy: -40.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -216.718428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.718428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.718428 (E_RNA)
where:
Base-Base interactions energy: -133.149
where: short stacking energy: -58.531
Base-Backbone interact. energy: -0.972
local terms energy: -92.596837
where:
bonds (distance) C4'-P energy: -26.742
bonds (distance) P-C4' energy: -20.325
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -15.327
tors. eta vs tors. theta energy: -8.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -494.722409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.722409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.722409 (E_RNA)
where:
Base-Base interactions energy: -340.562
where: short stacking energy: -150.686
Base-Backbone interact. energy: -0.994
local terms energy: -163.166529
where:
bonds (distance) C4'-P energy: -27.815
bonds (distance) P-C4' energy: -28.598
flat angles C4'-P-C4' energy: -33.819
flat angles P-C4'-P energy: -26.669
tors. eta vs tors. theta energy: -46.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -502.375702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.375702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.375702 (E_RNA)
where:
Base-Base interactions energy: -360.579
where: short stacking energy: -142.231
Base-Backbone interact. energy: -0.928
local terms energy: -150.868481
where:
bonds (distance) C4'-P energy: -26.788
bonds (distance) P-C4' energy: -27.488
flat angles C4'-P-C4' energy: -30.788
flat angles P-C4'-P energy: -22.266
tors. eta vs tors. theta energy: -43.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -484.804142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.804142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.804142 (E_RNA)
where:
Base-Base interactions energy: -344.162
where: short stacking energy: -148.412
Base-Backbone interact. energy: -0.131
local terms energy: -150.510964
where:
bonds (distance) C4'-P energy: -26.092
bonds (distance) P-C4' energy: -26.504
flat angles C4'-P-C4' energy: -27.224
flat angles P-C4'-P energy: -23.932
tors. eta vs tors. theta energy: -46.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -471.929696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.929696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.929696 (E_RNA)
where:
Base-Base interactions energy: -336.083
where: short stacking energy: -139.000
Base-Backbone interact. energy: -0.380
local terms energy: -145.466616
where:
bonds (distance) C4'-P energy: -27.967
bonds (distance) P-C4' energy: -24.252
flat angles C4'-P-C4' energy: -31.452
flat angles P-C4'-P energy: -17.055
tors. eta vs tors. theta energy: -44.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -464.275186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.275186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.275186 (E_RNA)
where:
Base-Base interactions energy: -336.139
where: short stacking energy: -142.136
Base-Backbone interact. energy: -0.499
local terms energy: -137.636989
where:
bonds (distance) C4'-P energy: -22.120
bonds (distance) P-C4' energy: -20.893
flat angles C4'-P-C4' energy: -32.683
flat angles P-C4'-P energy: -20.678
tors. eta vs tors. theta energy: -41.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -451.561344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.561344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.561344 (E_RNA)
where:
Base-Base interactions energy: -319.185
where: short stacking energy: -125.106
Base-Backbone interact. energy: -0.084
local terms energy: -142.291686
where:
bonds (distance) C4'-P energy: -27.769
bonds (distance) P-C4' energy: -26.436
flat angles C4'-P-C4' energy: -25.730
flat angles P-C4'-P energy: -21.665
tors. eta vs tors. theta energy: -40.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -436.442709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.442709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.442709 (E_RNA)
where:
Base-Base interactions energy: -308.490
where: short stacking energy: -133.390
Base-Backbone interact. energy: -0.364
local terms energy: -137.588324
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -28.389
flat angles C4'-P-C4' energy: -29.910
flat angles P-C4'-P energy: -17.005
tors. eta vs tors. theta energy: -43.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -433.668145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.668145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.668145 (E_RNA)
where:
Base-Base interactions energy: -312.948
where: short stacking energy: -141.423
Base-Backbone interact. energy: -1.418
local terms energy: -129.301890
where:
bonds (distance) C4'-P energy: -19.771
bonds (distance) P-C4' energy: -21.683
flat angles C4'-P-C4' energy: -24.299
flat angles P-C4'-P energy: -16.687
tors. eta vs tors. theta energy: -46.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -427.363678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.363678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.363678 (E_RNA)
where:
Base-Base interactions energy: -306.859
where: short stacking energy: -127.723
Base-Backbone interact. energy: -0.012
local terms energy: -130.492609
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -29.363
flat angles P-C4'-P energy: -19.316
tors. eta vs tors. theta energy: -39.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -222.318947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.318947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.318947 (E_RNA)
where:
Base-Base interactions energy: -141.826
where: short stacking energy: -69.900
Base-Backbone interact. energy: -0.341
local terms energy: -90.151518
where:
bonds (distance) C4'-P energy: -21.766
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -20.939
flat angles P-C4'-P energy: -13.765
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -503.548465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.548465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.548465 (E_RNA)
where:
Base-Base interactions energy: -360.347
where: short stacking energy: -142.112
Base-Backbone interact. energy: -0.640
local terms energy: -152.561464
where:
bonds (distance) C4'-P energy: -25.385
bonds (distance) P-C4' energy: -28.743
flat angles C4'-P-C4' energy: -31.436
flat angles P-C4'-P energy: -22.493
tors. eta vs tors. theta energy: -44.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -490.136613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.136613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.136613 (E_RNA)
where:
Base-Base interactions energy: -357.358
where: short stacking energy: -143.312
Base-Backbone interact. energy: -0.955
local terms energy: -141.823530
where:
bonds (distance) C4'-P energy: -27.600
bonds (distance) P-C4' energy: -27.821
flat angles C4'-P-C4' energy: -28.247
flat angles P-C4'-P energy: -16.047
tors. eta vs tors. theta energy: -42.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -477.566843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.566843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.566843 (E_RNA)
where:
Base-Base interactions energy: -337.505
where: short stacking energy: -139.907
Base-Backbone interact. energy: -0.009
local terms energy: -150.053390
where:
bonds (distance) C4'-P energy: -28.404
bonds (distance) P-C4' energy: -29.672
flat angles C4'-P-C4' energy: -30.410
flat angles P-C4'-P energy: -18.057
tors. eta vs tors. theta energy: -43.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -471.394088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.394088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.394088 (E_RNA)
where:
Base-Base interactions energy: -331.569
where: short stacking energy: -140.862
Base-Backbone interact. energy: -0.029
local terms energy: -149.796170
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -28.552
flat angles C4'-P-C4' energy: -30.432
flat angles P-C4'-P energy: -23.070
tors. eta vs tors. theta energy: -46.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -470.182504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.182504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.182504 (E_RNA)
where:
Base-Base interactions energy: -335.047
where: short stacking energy: -140.399
Base-Backbone interact. energy: -0.007
local terms energy: -145.128282
where:
bonds (distance) C4'-P energy: -23.996
bonds (distance) P-C4' energy: -25.816
flat angles C4'-P-C4' energy: -31.093
flat angles P-C4'-P energy: -21.781
tors. eta vs tors. theta energy: -42.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -453.355383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.355383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.355383 (E_RNA)
where:
Base-Base interactions energy: -322.240
where: short stacking energy: -126.501
Base-Backbone interact. energy: 0.435
local terms energy: -141.550762
where:
bonds (distance) C4'-P energy: -24.185
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -30.123
flat angles P-C4'-P energy: -25.649
tors. eta vs tors. theta energy: -40.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -441.124275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.124275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.124275 (E_RNA)
where:
Base-Base interactions energy: -315.131
where: short stacking energy: -132.485
Base-Backbone interact. energy: -0.116
local terms energy: -135.877176
where:
bonds (distance) C4'-P energy: -27.291
bonds (distance) P-C4' energy: -24.367
flat angles C4'-P-C4' energy: -27.890
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -40.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -447.232358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.232358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.232358 (E_RNA)
where:
Base-Base interactions energy: -331.807
where: short stacking energy: -132.909
Base-Backbone interact. energy: -0.147
local terms energy: -125.278955
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -23.151
flat angles C4'-P-C4' energy: -27.169
flat angles P-C4'-P energy: -19.462
tors. eta vs tors. theta energy: -36.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -425.848222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.848222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.848222 (E_RNA)
where:
Base-Base interactions energy: -307.553
where: short stacking energy: -124.395
Base-Backbone interact. energy: -0.733
local terms energy: -127.562069
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -24.097
flat angles C4'-P-C4' energy: -27.259
flat angles P-C4'-P energy: -19.532
tors. eta vs tors. theta energy: -36.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -243.768357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.768357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.768357 (E_RNA)
where:
Base-Base interactions energy: -158.229
where: short stacking energy: -88.043
Base-Backbone interact. energy: -0.828
local terms energy: -94.711887
where:
bonds (distance) C4'-P energy: -22.260
bonds (distance) P-C4' energy: -24.215
flat angles C4'-P-C4' energy: -20.433
flat angles P-C4'-P energy: -13.936
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -500.694842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.694842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.694842 (E_RNA)
where:
Base-Base interactions energy: -356.886
where: short stacking energy: -140.424
Base-Backbone interact. energy: -0.715
local terms energy: -153.094037
where:
bonds (distance) C4'-P energy: -23.927
bonds (distance) P-C4' energy: -30.583
flat angles C4'-P-C4' energy: -30.889
flat angles P-C4'-P energy: -24.332
tors. eta vs tors. theta energy: -43.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -492.971831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.971831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.971831 (E_RNA)
where:
Base-Base interactions energy: -359.320
where: short stacking energy: -140.149
Base-Backbone interact. energy: -0.096
local terms energy: -143.555358
where:
bonds (distance) C4'-P energy: -26.159
bonds (distance) P-C4' energy: -29.461
flat angles C4'-P-C4' energy: -30.967
flat angles P-C4'-P energy: -17.819
tors. eta vs tors. theta energy: -39.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -488.726103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.726103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.726103 (E_RNA)
where:
Base-Base interactions energy: -343.393
where: short stacking energy: -142.880
Base-Backbone interact. energy: -0.644
local terms energy: -154.688682
where:
bonds (distance) C4'-P energy: -30.576
bonds (distance) P-C4' energy: -24.164
flat angles C4'-P-C4' energy: -31.840
flat angles P-C4'-P energy: -22.433
tors. eta vs tors. theta energy: -45.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -477.246041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.246041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.246041 (E_RNA)
where:
Base-Base interactions energy: -342.614
where: short stacking energy: -144.017
Base-Backbone interact. energy: -0.021
local terms energy: -144.611306
where:
bonds (distance) C4'-P energy: -26.452
bonds (distance) P-C4' energy: -24.806
flat angles C4'-P-C4' energy: -31.023
flat angles P-C4'-P energy: -21.120
tors. eta vs tors. theta energy: -41.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -459.758667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.758667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.758667 (E_RNA)
where:
Base-Base interactions energy: -326.828
where: short stacking energy: -143.202
Base-Backbone interact. energy: -0.129
local terms energy: -142.801013
where:
bonds (distance) C4'-P energy: -23.139
bonds (distance) P-C4' energy: -21.865
flat angles C4'-P-C4' energy: -28.422
flat angles P-C4'-P energy: -23.128
tors. eta vs tors. theta energy: -46.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -464.877285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.877285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.877285 (E_RNA)
where:
Base-Base interactions energy: -334.932
where: short stacking energy: -146.691
Base-Backbone interact. energy: -0.330
local terms energy: -139.615253
where:
bonds (distance) C4'-P energy: -22.789
bonds (distance) P-C4' energy: -27.508
flat angles C4'-P-C4' energy: -30.489
flat angles P-C4'-P energy: -18.187
tors. eta vs tors. theta energy: -40.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -457.803121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.803121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.803121 (E_RNA)
where:
Base-Base interactions energy: -318.499
where: short stacking energy: -123.426
Base-Backbone interact. energy: -0.202
local terms energy: -149.102314
where:
bonds (distance) C4'-P energy: -25.998
bonds (distance) P-C4' energy: -30.088
flat angles C4'-P-C4' energy: -27.518
flat angles P-C4'-P energy: -24.909
tors. eta vs tors. theta energy: -40.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -436.162467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.162467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.162467 (E_RNA)
where:
Base-Base interactions energy: -317.909
where: short stacking energy: -135.562
Base-Backbone interact. energy: -0.443
local terms energy: -127.810181
where:
bonds (distance) C4'-P energy: -26.448
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -28.800
flat angles P-C4'-P energy: -15.377
tors. eta vs tors. theta energy: -39.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -416.132732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.132732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.132732 (E_RNA)
where:
Base-Base interactions energy: -303.657
where: short stacking energy: -124.359
Base-Backbone interact. energy: -0.865
local terms energy: -121.611284
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -20.399
flat angles C4'-P-C4' energy: -28.074
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: -35.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -198.956671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.956671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.956671 (E_RNA)
where:
Base-Base interactions energy: -113.988
where: short stacking energy: -62.718
Base-Backbone interact. energy: -0.438
local terms energy: -94.530018
where:
bonds (distance) C4'-P energy: -22.826
bonds (distance) P-C4' energy: -29.308
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -13.320
tors. eta vs tors. theta energy: -9.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -497.778032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.778032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.778032 (E_RNA)
where:
Base-Base interactions energy: -355.996
where: short stacking energy: -142.791
Base-Backbone interact. energy: -0.495
local terms energy: -151.287016
where:
bonds (distance) C4'-P energy: -28.987
bonds (distance) P-C4' energy: -27.424
flat angles C4'-P-C4' energy: -30.957
flat angles P-C4'-P energy: -21.892
tors. eta vs tors. theta energy: -42.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -500.301368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.301368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.301368 (E_RNA)
where:
Base-Base interactions energy: -356.792
where: short stacking energy: -145.687
Base-Backbone interact. energy: -0.364
local terms energy: -153.145414
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -30.394
flat angles C4'-P-C4' energy: -33.030
flat angles P-C4'-P energy: -22.733
tors. eta vs tors. theta energy: -44.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -476.705440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.705440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.705440 (E_RNA)
where:
Base-Base interactions energy: -348.231
where: short stacking energy: -145.336
Base-Backbone interact. energy: -0.005
local terms energy: -138.469611
where:
bonds (distance) C4'-P energy: -27.028
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -26.700
flat angles P-C4'-P energy: -20.647
tors. eta vs tors. theta energy: -43.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -487.745354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.745354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.745354 (E_RNA)
where:
Base-Base interactions energy: -352.833
where: short stacking energy: -148.841
Base-Backbone interact. energy: 0.214
local terms energy: -145.126920
where:
bonds (distance) C4'-P energy: -25.318
bonds (distance) P-C4' energy: -24.001
flat angles C4'-P-C4' energy: -29.738
flat angles P-C4'-P energy: -21.277
tors. eta vs tors. theta energy: -44.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -469.044884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.044884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.044884 (E_RNA)
where:
Base-Base interactions energy: -339.306
where: short stacking energy: -139.697
Base-Backbone interact. energy: -0.080
local terms energy: -139.658674
where:
bonds (distance) C4'-P energy: -22.098
bonds (distance) P-C4' energy: -24.939
flat angles C4'-P-C4' energy: -31.872
flat angles P-C4'-P energy: -16.293
tors. eta vs tors. theta energy: -44.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -445.571202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.571202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.571202 (E_RNA)
where:
Base-Base interactions energy: -314.227
where: short stacking energy: -134.875
Base-Backbone interact. energy: -0.049
local terms energy: -141.295143
where:
bonds (distance) C4'-P energy: -27.656
bonds (distance) P-C4' energy: -25.178
flat angles C4'-P-C4' energy: -28.202
flat angles P-C4'-P energy: -19.642
tors. eta vs tors. theta energy: -40.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -439.856942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.856942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.856942 (E_RNA)
where:
Base-Base interactions energy: -312.470
where: short stacking energy: -130.269
Base-Backbone interact. energy: -0.005
local terms energy: -137.382078
where:
bonds (distance) C4'-P energy: -24.585
bonds (distance) P-C4' energy: -26.103
flat angles C4'-P-C4' energy: -25.078
flat angles P-C4'-P energy: -18.344
tors. eta vs tors. theta energy: -43.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -443.685608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.685608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.685608 (E_RNA)
where:
Base-Base interactions energy: -315.213
where: short stacking energy: -126.618
Base-Backbone interact. energy: -0.714
local terms energy: -137.758474
where:
bonds (distance) C4'-P energy: -29.333
bonds (distance) P-C4' energy: -24.963
flat angles C4'-P-C4' energy: -29.756
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -40.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -423.288717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.288717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.288717 (E_RNA)
where:
Base-Base interactions energy: -316.352
where: short stacking energy: -130.448
Base-Backbone interact. energy: 1.271
local terms energy: -118.208001
where:
bonds (distance) C4'-P energy: -20.710
bonds (distance) P-C4' energy: -11.363
flat angles C4'-P-C4' energy: -30.229
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -39.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -177.609301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.609301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.609301 (E_RNA)
where:
Base-Base interactions energy: -107.873
where: short stacking energy: -49.708
Base-Backbone interact. energy: 1.573
local terms energy: -81.309512
where:
bonds (distance) C4'-P energy: -25.226
bonds (distance) P-C4' energy: -30.793
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -0.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -495.042166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.042166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.042166 (E_RNA)
where:
Base-Base interactions energy: -358.017
where: short stacking energy: -136.280
Base-Backbone interact. energy: -0.808
local terms energy: -146.217606
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -27.699
flat angles C4'-P-C4' energy: -26.487
flat angles P-C4'-P energy: -23.083
tors. eta vs tors. theta energy: -39.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -485.344361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.344361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.344361 (E_RNA)
where:
Base-Base interactions energy: -342.022
where: short stacking energy: -140.842
Base-Backbone interact. energy: -1.131
local terms energy: -152.190883
where:
bonds (distance) C4'-P energy: -29.182
bonds (distance) P-C4' energy: -30.809
flat angles C4'-P-C4' energy: -30.239
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -43.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -478.179508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.179508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.179508 (E_RNA)
where:
Base-Base interactions energy: -343.477
where: short stacking energy: -142.192
Base-Backbone interact. energy: -0.157
local terms energy: -144.545311
where:
bonds (distance) C4'-P energy: -25.872
bonds (distance) P-C4' energy: -27.816
flat angles C4'-P-C4' energy: -28.394
flat angles P-C4'-P energy: -18.784
tors. eta vs tors. theta energy: -43.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -465.352732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.352732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.352732 (E_RNA)
where:
Base-Base interactions energy: -333.649
where: short stacking energy: -135.416
Base-Backbone interact. energy: -0.457
local terms energy: -141.246670
where:
bonds (distance) C4'-P energy: -23.253
bonds (distance) P-C4' energy: -24.557
flat angles C4'-P-C4' energy: -27.332
flat angles P-C4'-P energy: -22.587
tors. eta vs tors. theta energy: -43.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -467.438596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.438596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.438596 (E_RNA)
where:
Base-Base interactions energy: -337.957
where: short stacking energy: -138.222
Base-Backbone interact. energy: -0.327
local terms energy: -139.154484
where:
bonds (distance) C4'-P energy: -23.110
bonds (distance) P-C4' energy: -26.158
flat angles C4'-P-C4' energy: -31.077
flat angles P-C4'-P energy: -17.840
tors. eta vs tors. theta energy: -40.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -468.934511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.934511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.934511 (E_RNA)
where:
Base-Base interactions energy: -334.988
where: short stacking energy: -139.133
Base-Backbone interact. energy: -1.205
local terms energy: -142.741991
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -28.581
flat angles C4'-P-C4' energy: -28.417
flat angles P-C4'-P energy: -18.329
tors. eta vs tors. theta energy: -45.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -443.685934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.685934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.685934 (E_RNA)
where:
Base-Base interactions energy: -323.570
where: short stacking energy: -128.977
Base-Backbone interact. energy: -0.185
local terms energy: -129.930702
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -28.099
flat angles C4'-P-C4' energy: -29.514
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -39.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -439.362157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.362157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.362157 (E_RNA)
where:
Base-Base interactions energy: -310.913
where: short stacking energy: -129.064
Base-Backbone interact. energy: -0.550
local terms energy: -137.898520
where:
bonds (distance) C4'-P energy: -23.063
bonds (distance) P-C4' energy: -25.909
flat angles C4'-P-C4' energy: -25.368
flat angles P-C4'-P energy: -23.840
tors. eta vs tors. theta energy: -39.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -436.097859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.097859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.097859 (E_RNA)
where:
Base-Base interactions energy: -318.643
where: short stacking energy: -130.958
Base-Backbone interact. energy: -0.065
local terms energy: -127.390080
where:
bonds (distance) C4'-P energy: -22.944
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -28.540
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -41.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -206.043588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.043588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.043588 (E_RNA)
where:
Base-Base interactions energy: -126.596
where: short stacking energy: -57.314
Base-Backbone interact. energy: -0.392
local terms energy: -89.056114
where:
bonds (distance) C4'-P energy: -22.867
bonds (distance) P-C4' energy: -26.477
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -17.142
tors. eta vs tors. theta energy: -6.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -501.761190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.761190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.761190 (E_RNA)
where:
Base-Base interactions energy: -357.912
where: short stacking energy: -151.960
Base-Backbone interact. energy: -0.233
local terms energy: -153.616307
where:
bonds (distance) C4'-P energy: -26.883
bonds (distance) P-C4' energy: -26.450
flat angles C4'-P-C4' energy: -30.804
flat angles P-C4'-P energy: -23.655
tors. eta vs tors. theta energy: -45.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -480.059801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.059801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.059801 (E_RNA)
where:
Base-Base interactions energy: -353.740
where: short stacking energy: -138.293
Base-Backbone interact. energy: -0.201
local terms energy: -136.119064
where:
bonds (distance) C4'-P energy: -24.768
bonds (distance) P-C4' energy: -20.944
flat angles C4'-P-C4' energy: -28.859
flat angles P-C4'-P energy: -22.742
tors. eta vs tors. theta energy: -38.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -492.967986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.967986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.967986 (E_RNA)
where:
Base-Base interactions energy: -348.951
where: short stacking energy: -148.222
Base-Backbone interact. energy: -0.260
local terms energy: -153.756400
where:
bonds (distance) C4'-P energy: -20.560
bonds (distance) P-C4' energy: -29.060
flat angles C4'-P-C4' energy: -31.426
flat angles P-C4'-P energy: -28.186
tors. eta vs tors. theta energy: -44.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -478.005162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.005162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.005162 (E_RNA)
where:
Base-Base interactions energy: -352.945
where: short stacking energy: -139.338
Base-Backbone interact. energy: -0.284
local terms energy: -134.776143
where:
bonds (distance) C4'-P energy: -22.936
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -26.861
flat angles P-C4'-P energy: -20.310
tors. eta vs tors. theta energy: -43.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -469.250913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.250913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.250913 (E_RNA)
where:
Base-Base interactions energy: -336.213
where: short stacking energy: -145.917
Base-Backbone interact. energy: -0.261
local terms energy: -142.776337
where:
bonds (distance) C4'-P energy: -27.186
bonds (distance) P-C4' energy: -29.594
flat angles C4'-P-C4' energy: -22.707
flat angles P-C4'-P energy: -18.216
tors. eta vs tors. theta energy: -45.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -473.393039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.393039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.393039 (E_RNA)
where:
Base-Base interactions energy: -337.861
where: short stacking energy: -145.719
Base-Backbone interact. energy: 1.682
local terms energy: -147.214061
where:
bonds (distance) C4'-P energy: -25.736
bonds (distance) P-C4' energy: -22.269
flat angles C4'-P-C4' energy: -33.450
flat angles P-C4'-P energy: -23.473
tors. eta vs tors. theta energy: -42.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -439.873327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.873327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.873327 (E_RNA)
where:
Base-Base interactions energy: -324.782
where: short stacking energy: -123.730
Base-Backbone interact. energy: -0.060
local terms energy: -125.031825
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -28.378
flat angles C4'-P-C4' energy: -21.851
flat angles P-C4'-P energy: -16.695
tors. eta vs tors. theta energy: -38.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -412.814273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.814273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.814273 (E_RNA)
where:
Base-Base interactions energy: -301.283
where: short stacking energy: -116.086
Base-Backbone interact. energy: -0.734
local terms energy: -120.796707
where:
bonds (distance) C4'-P energy: -20.334
bonds (distance) P-C4' energy: -22.201
flat angles C4'-P-C4' energy: -24.420
flat angles P-C4'-P energy: -20.361
tors. eta vs tors. theta energy: -33.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -421.367332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.367332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.367332 (E_RNA)
where:
Base-Base interactions energy: -308.137
where: short stacking energy: -123.163
Base-Backbone interact. energy: -0.040
local terms energy: -123.190540
where:
bonds (distance) C4'-P energy: -22.131
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -24.205
flat angles P-C4'-P energy: -19.295
tors. eta vs tors. theta energy: -38.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -279.404594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.404594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.404594 (E_RNA)
where:
Base-Base interactions energy: -188.228
where: short stacking energy: -90.622
Base-Backbone interact. energy: -0.402
local terms energy: -100.774135
where:
bonds (distance) C4'-P energy: -20.051
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -24.670
flat angles P-C4'-P energy: -17.960
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -503.875452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.875452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.875452 (E_RNA)
where:
Base-Base interactions energy: -361.601
where: short stacking energy: -144.145
Base-Backbone interact. energy: -0.281
local terms energy: -151.993957
where:
bonds (distance) C4'-P energy: -30.747
bonds (distance) P-C4' energy: -28.314
flat angles C4'-P-C4' energy: -29.079
flat angles P-C4'-P energy: -21.898
tors. eta vs tors. theta energy: -41.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -487.043924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.043924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.043924 (E_RNA)
where:
Base-Base interactions energy: -356.066
where: short stacking energy: -148.000
Base-Backbone interact. energy: -0.186
local terms energy: -140.791165
where:
bonds (distance) C4'-P energy: -23.054
bonds (distance) P-C4' energy: -24.837
flat angles C4'-P-C4' energy: -30.216
flat angles P-C4'-P energy: -16.043
tors. eta vs tors. theta energy: -46.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -475.065046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.065046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.065046 (E_RNA)
where:
Base-Base interactions energy: -344.232
where: short stacking energy: -145.326
Base-Backbone interact. energy: -0.487
local terms energy: -140.346000
where:
bonds (distance) C4'-P energy: -24.177
bonds (distance) P-C4' energy: -24.253
flat angles C4'-P-C4' energy: -30.353
flat angles P-C4'-P energy: -20.904
tors. eta vs tors. theta energy: -40.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -473.781301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.781301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.781301 (E_RNA)
where:
Base-Base interactions energy: -332.898
where: short stacking energy: -135.686
Base-Backbone interact. energy: -0.184
local terms energy: -150.698748
where:
bonds (distance) C4'-P energy: -28.920
bonds (distance) P-C4' energy: -28.258
flat angles C4'-P-C4' energy: -28.938
flat angles P-C4'-P energy: -23.233
tors. eta vs tors. theta energy: -41.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -463.257414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.257414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.257414 (E_RNA)
where:
Base-Base interactions energy: -335.264
where: short stacking energy: -141.073
Base-Backbone interact. energy: -0.096
local terms energy: -137.896458
where:
bonds (distance) C4'-P energy: -23.528
bonds (distance) P-C4' energy: -23.258
flat angles C4'-P-C4' energy: -30.493
flat angles P-C4'-P energy: -18.767
tors. eta vs tors. theta energy: -41.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -461.989517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.989517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.989517 (E_RNA)
where:
Base-Base interactions energy: -334.520
where: short stacking energy: -144.552
Base-Backbone interact. energy: 0.743
local terms energy: -138.212573
where:
bonds (distance) C4'-P energy: -21.729
bonds (distance) P-C4' energy: -27.890
flat angles C4'-P-C4' energy: -25.628
flat angles P-C4'-P energy: -17.410
tors. eta vs tors. theta energy: -45.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -414.098721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.098721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.098721 (E_RNA)
where:
Base-Base interactions energy: -298.654
where: short stacking energy: -126.549
Base-Backbone interact. energy: -0.024
local terms energy: -125.421159
where:
bonds (distance) C4'-P energy: -18.359
bonds (distance) P-C4' energy: -23.286
flat angles C4'-P-C4' energy: -26.806
flat angles P-C4'-P energy: -18.365
tors. eta vs tors. theta energy: -38.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -422.294190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.294190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.294190 (E_RNA)
where:
Base-Base interactions energy: -306.963
where: short stacking energy: -129.163
Base-Backbone interact. energy: 1.547
local terms energy: -126.877378
where:
bonds (distance) C4'-P energy: -26.822
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -27.189
flat angles P-C4'-P energy: -16.049
tors. eta vs tors. theta energy: -38.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -415.230826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.230826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.230826 (E_RNA)
where:
Base-Base interactions energy: -293.435
where: short stacking energy: -122.065
Base-Backbone interact. energy: -1.151
local terms energy: -130.645250
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -25.150
flat angles C4'-P-C4' energy: -25.753
flat angles P-C4'-P energy: -18.577
tors. eta vs tors. theta energy: -41.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -231.820554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.820554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.820554 (E_RNA)
where:
Base-Base interactions energy: -146.338
where: short stacking energy: -68.619
Base-Backbone interact. energy: -0.450
local terms energy: -95.032276
where:
bonds (distance) C4'-P energy: -26.586
bonds (distance) P-C4' energy: -25.301
flat angles C4'-P-C4' energy: -21.714
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -7.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -488.273432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.273432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.273432 (E_RNA)
where:
Base-Base interactions energy: -345.309
where: short stacking energy: -149.517
Base-Backbone interact. energy: -0.180
local terms energy: -152.784848
where:
bonds (distance) C4'-P energy: -25.945
bonds (distance) P-C4' energy: -29.159
flat angles C4'-P-C4' energy: -28.259
flat angles P-C4'-P energy: -25.217
tors. eta vs tors. theta energy: -44.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -494.780413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.780413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.780413 (E_RNA)
where:
Base-Base interactions energy: -349.706
where: short stacking energy: -152.148
Base-Backbone interact. energy: -0.487
local terms energy: -154.587274
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -26.687
flat angles C4'-P-C4' energy: -31.327
flat angles P-C4'-P energy: -21.965
tors. eta vs tors. theta energy: -48.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -472.128675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.128675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.128675 (E_RNA)
where:
Base-Base interactions energy: -335.962
where: short stacking energy: -144.063
Base-Backbone interact. energy: -0.037
local terms energy: -146.129045
where:
bonds (distance) C4'-P energy: -23.356
bonds (distance) P-C4' energy: -28.685
flat angles C4'-P-C4' energy: -31.347
flat angles P-C4'-P energy: -18.125
tors. eta vs tors. theta energy: -44.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -466.873700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.873700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.873700 (E_RNA)
where:
Base-Base interactions energy: -335.021
where: short stacking energy: -135.215
Base-Backbone interact. energy: -0.110
local terms energy: -141.742699
where:
bonds (distance) C4'-P energy: -29.251
bonds (distance) P-C4' energy: -25.914
flat angles C4'-P-C4' energy: -25.258
flat angles P-C4'-P energy: -17.362
tors. eta vs tors. theta energy: -43.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -449.729918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.729918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.729918 (E_RNA)
where:
Base-Base interactions energy: -317.753
where: short stacking energy: -139.405
Base-Backbone interact. energy: -0.783
local terms energy: -141.194254
where:
bonds (distance) C4'-P energy: -25.117
bonds (distance) P-C4' energy: -23.252
flat angles C4'-P-C4' energy: -30.981
flat angles P-C4'-P energy: -21.984
tors. eta vs tors. theta energy: -39.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -465.903703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.903703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.903703 (E_RNA)
where:
Base-Base interactions energy: -339.566
where: short stacking energy: -147.792
Base-Backbone interact. energy: -0.003
local terms energy: -136.334467
where:
bonds (distance) C4'-P energy: -20.052
bonds (distance) P-C4' energy: -29.005
flat angles C4'-P-C4' energy: -28.843
flat angles P-C4'-P energy: -17.064
tors. eta vs tors. theta energy: -41.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -435.290644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.290644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.290644 (E_RNA)
where:
Base-Base interactions energy: -315.007
where: short stacking energy: -136.436
Base-Backbone interact. energy: -0.200
local terms energy: -130.083111
where:
bonds (distance) C4'-P energy: -26.038
bonds (distance) P-C4' energy: -20.374
flat angles C4'-P-C4' energy: -28.324
flat angles P-C4'-P energy: -19.018
tors. eta vs tors. theta energy: -36.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -405.831302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.831302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.831302 (E_RNA)
where:
Base-Base interactions energy: -298.312
where: short stacking energy: -118.052
Base-Backbone interact. energy: -0.066
local terms energy: -117.453868
where:
bonds (distance) C4'-P energy: -24.300
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -23.801
flat angles P-C4'-P energy: -17.651
tors. eta vs tors. theta energy: -34.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -420.897790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.897790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.897790 (E_RNA)
where:
Base-Base interactions energy: -308.117
where: short stacking energy: -128.897
Base-Backbone interact. energy: -0.314
local terms energy: -122.466210
where:
bonds (distance) C4'-P energy: -15.420
bonds (distance) P-C4' energy: -20.126
flat angles C4'-P-C4' energy: -31.032
flat angles P-C4'-P energy: -18.069
tors. eta vs tors. theta energy: -37.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -222.606083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.606083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.606083 (E_RNA)
where:
Base-Base interactions energy: -143.367
where: short stacking energy: -64.696
Base-Backbone interact. energy: 0.602
local terms energy: -89.841063
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -29.595
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -18.718
tors. eta vs tors. theta energy: -9.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -494.365868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.365868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.365868 (E_RNA)
where:
Base-Base interactions energy: -356.027
where: short stacking energy: -155.170
Base-Backbone interact. energy: -0.001
local terms energy: -148.337304
where:
bonds (distance) C4'-P energy: -24.704
bonds (distance) P-C4' energy: -23.805
flat angles C4'-P-C4' energy: -29.072
flat angles P-C4'-P energy: -24.429
tors. eta vs tors. theta energy: -46.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -503.346194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.346194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.346194 (E_RNA)
where:
Base-Base interactions energy: -353.697
where: short stacking energy: -142.138
Base-Backbone interact. energy: -0.003
local terms energy: -159.646037
where:
bonds (distance) C4'-P energy: -28.030
bonds (distance) P-C4' energy: -30.301
flat angles C4'-P-C4' energy: -32.372
flat angles P-C4'-P energy: -23.371
tors. eta vs tors. theta energy: -45.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -475.308102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.308102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.308102 (E_RNA)
where:
Base-Base interactions energy: -344.845
where: short stacking energy: -147.309
Base-Backbone interact. energy: -0.217
local terms energy: -140.245621
where:
bonds (distance) C4'-P energy: -20.374
bonds (distance) P-C4' energy: -27.574
flat angles C4'-P-C4' energy: -28.003
flat angles P-C4'-P energy: -21.877
tors. eta vs tors. theta energy: -42.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -465.522704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.522704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.522704 (E_RNA)
where:
Base-Base interactions energy: -339.448
where: short stacking energy: -138.908
Base-Backbone interact. energy: 2.833
local terms energy: -138.907450
where:
bonds (distance) C4'-P energy: -27.685
bonds (distance) P-C4' energy: -18.852
flat angles C4'-P-C4' energy: -29.074
flat angles P-C4'-P energy: -21.407
tors. eta vs tors. theta energy: -41.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -456.405119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.405119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.405119 (E_RNA)
where:
Base-Base interactions energy: -323.036
where: short stacking energy: -129.331
Base-Backbone interact. energy: -0.200
local terms energy: -143.169415
where:
bonds (distance) C4'-P energy: -30.228
bonds (distance) P-C4' energy: -26.312
flat angles C4'-P-C4' energy: -23.367
flat angles P-C4'-P energy: -22.431
tors. eta vs tors. theta energy: -40.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -463.619738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.619738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.619738 (E_RNA)
where:
Base-Base interactions energy: -331.591
where: short stacking energy: -143.814
Base-Backbone interact. energy: -0.203
local terms energy: -141.825977
where:
bonds (distance) C4'-P energy: -27.793
bonds (distance) P-C4' energy: -20.527
flat angles C4'-P-C4' energy: -29.429
flat angles P-C4'-P energy: -18.834
tors. eta vs tors. theta energy: -45.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -462.825621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.825621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.825621 (E_RNA)
where:
Base-Base interactions energy: -329.663
where: short stacking energy: -130.815
Base-Backbone interact. energy: -0.109
local terms energy: -143.053974
where:
bonds (distance) C4'-P energy: -21.031
bonds (distance) P-C4' energy: -26.614
flat angles C4'-P-C4' energy: -29.402
flat angles P-C4'-P energy: -20.860
tors. eta vs tors. theta energy: -45.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -432.758510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.758510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.758510 (E_RNA)
where:
Base-Base interactions energy: -309.052
where: short stacking energy: -132.432
Base-Backbone interact. energy: -0.006
local terms energy: -133.701148
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -29.341
flat angles C4'-P-C4' energy: -27.030
flat angles P-C4'-P energy: -19.295
tors. eta vs tors. theta energy: -42.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -412.563240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.563240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.563240 (E_RNA)
where:
Base-Base interactions energy: -307.828
where: short stacking energy: -125.260
Base-Backbone interact. energy: -0.092
local terms energy: -114.642908
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -22.734
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -39.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -263.372305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.372305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.372305 (E_RNA)
where:
Base-Base interactions energy: -177.573
where: short stacking energy: -69.114
Base-Backbone interact. energy: -0.283
local terms energy: -95.515864
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -20.615
flat angles C4'-P-C4' energy: -27.370
flat angles P-C4'-P energy: -13.712
tors. eta vs tors. theta energy: -15.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -503.138597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.138597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.138597 (E_RNA)
where:
Base-Base interactions energy: -359.022
where: short stacking energy: -148.008
Base-Backbone interact. energy: -0.561
local terms energy: -153.555888
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -29.366
flat angles C4'-P-C4' energy: -34.081
flat angles P-C4'-P energy: -19.912
tors. eta vs tors. theta energy: -47.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -487.239496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.239496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.239496 (E_RNA)
where:
Base-Base interactions energy: -346.190
where: short stacking energy: -144.466
Base-Backbone interact. energy: -0.192
local terms energy: -150.857663
where:
bonds (distance) C4'-P energy: -25.153
bonds (distance) P-C4' energy: -27.142
flat angles C4'-P-C4' energy: -29.545
flat angles P-C4'-P energy: -21.819
tors. eta vs tors. theta energy: -47.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -470.032998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.032998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.032998 (E_RNA)
where:
Base-Base interactions energy: -337.175
where: short stacking energy: -139.469
Base-Backbone interact. energy: 2.368
local terms energy: -145.225170
where:
bonds (distance) C4'-P energy: -26.296
bonds (distance) P-C4' energy: -22.983
flat angles C4'-P-C4' energy: -30.552
flat angles P-C4'-P energy: -22.815
tors. eta vs tors. theta energy: -42.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -477.749632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.749632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.749632 (E_RNA)
where:
Base-Base interactions energy: -332.050
where: short stacking energy: -135.459
Base-Backbone interact. energy: -0.214
local terms energy: -155.486500
where:
bonds (distance) C4'-P energy: -29.136
bonds (distance) P-C4' energy: -26.515
flat angles C4'-P-C4' energy: -29.472
flat angles P-C4'-P energy: -24.278
tors. eta vs tors. theta energy: -46.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -477.763755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.763755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.763755 (E_RNA)
where:
Base-Base interactions energy: -335.066
where: short stacking energy: -142.761
Base-Backbone interact. energy: -0.004
local terms energy: -152.693535
where:
bonds (distance) C4'-P energy: -26.188
bonds (distance) P-C4' energy: -25.185
flat angles C4'-P-C4' energy: -32.694
flat angles P-C4'-P energy: -21.357
tors. eta vs tors. theta energy: -47.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -458.556007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.556007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.556007 (E_RNA)
where:
Base-Base interactions energy: -335.166
where: short stacking energy: -141.381
Base-Backbone interact. energy: -0.015
local terms energy: -133.375190
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -26.517
flat angles C4'-P-C4' energy: -27.258
flat angles P-C4'-P energy: -16.685
tors. eta vs tors. theta energy: -44.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -444.065012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.065012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.065012 (E_RNA)
where:
Base-Base interactions energy: -323.132
where: short stacking energy: -121.177
Base-Backbone interact. energy: -0.226
local terms energy: -130.706839
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -25.412
flat angles C4'-P-C4' energy: -29.349
flat angles P-C4'-P energy: -17.723
tors. eta vs tors. theta energy: -39.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -425.636357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.636357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.636357 (E_RNA)
where:
Base-Base interactions energy: -311.791
where: short stacking energy: -121.488
Base-Backbone interact. energy: 2.256
local terms energy: -126.101464
where:
bonds (distance) C4'-P energy: -24.928
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -25.507
flat angles P-C4'-P energy: -17.060
tors. eta vs tors. theta energy: -40.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -399.697734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.697734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.697734 (E_RNA)
where:
Base-Base interactions energy: -276.764
where: short stacking energy: -111.316
Base-Backbone interact. energy: 2.458
local terms energy: -135.392370
where:
bonds (distance) C4'-P energy: -22.238
bonds (distance) P-C4' energy: -25.736
flat angles C4'-P-C4' energy: -26.504
flat angles P-C4'-P energy: -22.152
tors. eta vs tors. theta energy: -38.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -227.249540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.249540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.249540 (E_RNA)
where:
Base-Base interactions energy: -141.015
where: short stacking energy: -68.278
Base-Backbone interact. energy: -0.273
local terms energy: -95.961863
where:
bonds (distance) C4'-P energy: -22.429
bonds (distance) P-C4' energy: -22.373
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -16.414
tors. eta vs tors. theta energy: -16.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -488.625811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.625811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.625811 (E_RNA)
where:
Base-Base interactions energy: -348.291
where: short stacking energy: -147.170
Base-Backbone interact. energy: -0.107
local terms energy: -150.226905
where:
bonds (distance) C4'-P energy: -25.641
bonds (distance) P-C4' energy: -28.251
flat angles C4'-P-C4' energy: -32.075
flat angles P-C4'-P energy: -21.228
tors. eta vs tors. theta energy: -43.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -484.697178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.697178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.697178 (E_RNA)
where:
Base-Base interactions energy: -336.945
where: short stacking energy: -143.507
Base-Backbone interact. energy: -1.059
local terms energy: -156.693391
where:
bonds (distance) C4'-P energy: -28.598
bonds (distance) P-C4' energy: -29.591
flat angles C4'-P-C4' energy: -34.532
flat angles P-C4'-P energy: -19.529
tors. eta vs tors. theta energy: -44.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -471.870829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.870829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.870829 (E_RNA)
where:
Base-Base interactions energy: -333.706
where: short stacking energy: -140.249
Base-Backbone interact. energy: -0.332
local terms energy: -147.832480
where:
bonds (distance) C4'-P energy: -26.391
bonds (distance) P-C4' energy: -27.124
flat angles C4'-P-C4' energy: -28.912
flat angles P-C4'-P energy: -21.456
tors. eta vs tors. theta energy: -43.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -470.749319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.749319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.749319 (E_RNA)
where:
Base-Base interactions energy: -333.441
where: short stacking energy: -139.493
Base-Backbone interact. energy: -0.004
local terms energy: -147.304498
where:
bonds (distance) C4'-P energy: -21.985
bonds (distance) P-C4' energy: -28.143
flat angles C4'-P-C4' energy: -30.059
flat angles P-C4'-P energy: -23.894
tors. eta vs tors. theta energy: -43.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -462.767385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.767385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.767385 (E_RNA)
where:
Base-Base interactions energy: -332.235
where: short stacking energy: -132.218
Base-Backbone interact. energy: -0.261
local terms energy: -140.271861
where:
bonds (distance) C4'-P energy: -24.211
bonds (distance) P-C4' energy: -22.614
flat angles C4'-P-C4' energy: -32.882
flat angles P-C4'-P energy: -18.220
tors. eta vs tors. theta energy: -42.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -461.383033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.383033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.383033 (E_RNA)
where:
Base-Base interactions energy: -335.741
where: short stacking energy: -139.347
Base-Backbone interact. energy: -0.628
local terms energy: -135.013576
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -23.892
flat angles C4'-P-C4' energy: -26.412
flat angles P-C4'-P energy: -24.379
tors. eta vs tors. theta energy: -43.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -438.155653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.155653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.155653 (E_RNA)
where:
Base-Base interactions energy: -315.130
where: short stacking energy: -139.740
Base-Backbone interact. energy: -0.095
local terms energy: -132.930221
where:
bonds (distance) C4'-P energy: -26.568
bonds (distance) P-C4' energy: -23.029
flat angles C4'-P-C4' energy: -24.379
flat angles P-C4'-P energy: -21.086
tors. eta vs tors. theta energy: -37.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -421.419526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.419526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.419526 (E_RNA)
where:
Base-Base interactions energy: -302.461
where: short stacking energy: -124.268
Base-Backbone interact. energy: 1.168
local terms energy: -130.126526
where:
bonds (distance) C4'-P energy: -21.931
bonds (distance) P-C4' energy: -24.053
flat angles C4'-P-C4' energy: -30.144
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -33.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -385.772192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.772192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -395.772192 (E_RNA)
where:
Base-Base interactions energy: -278.776
where: short stacking energy: -109.740
Base-Backbone interact. energy: -0.186
local terms energy: -116.810210
where:
bonds (distance) C4'-P energy: -20.930
bonds (distance) P-C4' energy: -28.319
flat angles C4'-P-C4' energy: -24.394
flat angles P-C4'-P energy: -13.783
tors. eta vs tors. theta energy: -29.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -231.678409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.678409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.678409 (E_RNA)
where:
Base-Base interactions energy: -147.181
where: short stacking energy: -73.143
Base-Backbone interact. energy: 0.980
local terms energy: -95.478161
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -25.554
flat angles C4'-P-C4' energy: -22.934
flat angles P-C4'-P energy: -15.582
tors. eta vs tors. theta energy: -13.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -496.167295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.167295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.167295 (E_RNA)
where:
Base-Base interactions energy: -353.706
where: short stacking energy: -145.440
Base-Backbone interact. energy: -0.807
local terms energy: -151.654215
where:
bonds (distance) C4'-P energy: -25.016
bonds (distance) P-C4' energy: -27.942
flat angles C4'-P-C4' energy: -32.873
flat angles P-C4'-P energy: -21.561
tors. eta vs tors. theta energy: -44.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -486.712207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.712207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.712207 (E_RNA)
where:
Base-Base interactions energy: -352.216
where: short stacking energy: -147.530
Base-Backbone interact. energy: -0.876
local terms energy: -143.620330
where:
bonds (distance) C4'-P energy: -20.991
bonds (distance) P-C4' energy: -25.317
flat angles C4'-P-C4' energy: -27.028
flat angles P-C4'-P energy: -26.139
tors. eta vs tors. theta energy: -44.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -479.509598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.509598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.509598 (E_RNA)
where:
Base-Base interactions energy: -340.304
where: short stacking energy: -146.044
Base-Backbone interact. energy: -0.147
local terms energy: -149.058780
where:
bonds (distance) C4'-P energy: -22.060
bonds (distance) P-C4' energy: -26.533
flat angles C4'-P-C4' energy: -31.636
flat angles P-C4'-P energy: -23.181
tors. eta vs tors. theta energy: -45.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -468.093083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.093083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.093083 (E_RNA)
where:
Base-Base interactions energy: -331.109
where: short stacking energy: -138.667
Base-Backbone interact. energy: -0.765
local terms energy: -146.219016
where:
bonds (distance) C4'-P energy: -25.231
bonds (distance) P-C4' energy: -26.135
flat angles C4'-P-C4' energy: -32.367
flat angles P-C4'-P energy: -24.413
tors. eta vs tors. theta energy: -38.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -468.680212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.680212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.680212 (E_RNA)
where:
Base-Base interactions energy: -332.244
where: short stacking energy: -148.757
Base-Backbone interact. energy: -0.105
local terms energy: -146.331219
where:
bonds (distance) C4'-P energy: -25.176
bonds (distance) P-C4' energy: -28.756
flat angles C4'-P-C4' energy: -29.159
flat angles P-C4'-P energy: -16.383
tors. eta vs tors. theta energy: -46.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -453.742057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.742057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.742057 (E_RNA)
where:
Base-Base interactions energy: -327.656
where: short stacking energy: -134.698
Base-Backbone interact. energy: -0.003
local terms energy: -136.082991
where:
bonds (distance) C4'-P energy: -20.090
bonds (distance) P-C4' energy: -24.254
flat angles C4'-P-C4' energy: -32.327
flat angles P-C4'-P energy: -18.428
tors. eta vs tors. theta energy: -40.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -420.226149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.226149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.226149 (E_RNA)
where:
Base-Base interactions energy: -299.442
where: short stacking energy: -126.382
Base-Backbone interact. energy: -2.745
local terms energy: -128.039599
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -27.671
flat angles C4'-P-C4' energy: -29.070
flat angles P-C4'-P energy: -18.333
tors. eta vs tors. theta energy: -34.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -430.106466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.106466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.106466 (E_RNA)
where:
Base-Base interactions energy: -303.402
where: short stacking energy: -122.237
Base-Backbone interact. energy: -0.230
local terms energy: -136.474287
where:
bonds (distance) C4'-P energy: -27.438
bonds (distance) P-C4' energy: -24.211
flat angles C4'-P-C4' energy: -27.014
flat angles P-C4'-P energy: -19.423
tors. eta vs tors. theta energy: -38.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -409.052594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.052594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.052594 (E_RNA)
where:
Base-Base interactions energy: -285.260
where: short stacking energy: -122.161
Base-Backbone interact. energy: -0.241
local terms energy: -133.551050
where:
bonds (distance) C4'-P energy: -25.335
bonds (distance) P-C4' energy: -24.716
flat angles C4'-P-C4' energy: -25.829
flat angles P-C4'-P energy: -17.366
tors. eta vs tors. theta energy: -40.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -219.505034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.505034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.505034 (E_RNA)
where:
Base-Base interactions energy: -139.354
where: short stacking energy: -58.129
Base-Backbone interact. energy: 1.082
local terms energy: -91.232193
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -22.645
flat angles C4'-P-C4' energy: -26.535
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -10.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -494.748191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.748191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.748191 (E_RNA)
where:
Base-Base interactions energy: -348.191
where: short stacking energy: -142.046
Base-Backbone interact. energy: -0.047
local terms energy: -156.510812
where:
bonds (distance) C4'-P energy: -26.271
bonds (distance) P-C4' energy: -30.048
flat angles C4'-P-C4' energy: -33.773
flat angles P-C4'-P energy: -21.566
tors. eta vs tors. theta energy: -44.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -501.024641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.024641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.024641 (E_RNA)
where:
Base-Base interactions energy: -355.531
where: short stacking energy: -153.584
Base-Backbone interact. energy: -0.434
local terms energy: -155.059674
where:
bonds (distance) C4'-P energy: -27.818
bonds (distance) P-C4' energy: -25.254
flat angles C4'-P-C4' energy: -32.262
flat angles P-C4'-P energy: -24.080
tors. eta vs tors. theta energy: -45.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -480.567656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.567656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.567656 (E_RNA)
where:
Base-Base interactions energy: -341.342
where: short stacking energy: -145.556
Base-Backbone interact. energy: -0.071
local terms energy: -149.154373
where:
bonds (distance) C4'-P energy: -28.527
bonds (distance) P-C4' energy: -25.951
flat angles C4'-P-C4' energy: -27.105
flat angles P-C4'-P energy: -21.385
tors. eta vs tors. theta energy: -46.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -483.838086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.838086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.838086 (E_RNA)
where:
Base-Base interactions energy: -342.448
where: short stacking energy: -147.499
Base-Backbone interact. energy: -1.131
local terms energy: -150.259399
where:
bonds (distance) C4'-P energy: -24.590
bonds (distance) P-C4' energy: -23.933
flat angles C4'-P-C4' energy: -33.930
flat angles P-C4'-P energy: -21.613
tors. eta vs tors. theta energy: -46.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -461.611479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.611479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.611479 (E_RNA)
where:
Base-Base interactions energy: -331.740
where: short stacking energy: -135.377
Base-Backbone interact. energy: -0.482
local terms energy: -139.389027
where:
bonds (distance) C4'-P energy: -26.601
bonds (distance) P-C4' energy: -25.304
flat angles C4'-P-C4' energy: -27.333
flat angles P-C4'-P energy: -16.750
tors. eta vs tors. theta energy: -43.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -457.373123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.373123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.373123 (E_RNA)
where:
Base-Base interactions energy: -323.417
where: short stacking energy: -134.901
Base-Backbone interact. energy: -0.003
local terms energy: -143.952868
where:
bonds (distance) C4'-P energy: -22.570
bonds (distance) P-C4' energy: -30.561
flat angles C4'-P-C4' energy: -25.851
flat angles P-C4'-P energy: -21.960
tors. eta vs tors. theta energy: -43.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -424.802774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.802774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.802774 (E_RNA)
where:
Base-Base interactions energy: -320.377
where: short stacking energy: -124.906
Base-Backbone interact. energy: -0.306
local terms energy: -114.119620
where:
bonds (distance) C4'-P energy: -26.261
bonds (distance) P-C4' energy: -25.795
flat angles C4'-P-C4' energy: -20.528
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -30.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -421.415541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.415541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.415541 (E_RNA)
where:
Base-Base interactions energy: -294.699
where: short stacking energy: -125.144
Base-Backbone interact. energy: -0.044
local terms energy: -136.672935
where:
bonds (distance) C4'-P energy: -20.028
bonds (distance) P-C4' energy: -26.523
flat angles C4'-P-C4' energy: -30.501
flat angles P-C4'-P energy: -18.686
tors. eta vs tors. theta energy: -40.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -428.067514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.067514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.067514 (E_RNA)
where:
Base-Base interactions energy: -319.299
where: short stacking energy: -123.950
Base-Backbone interact. energy: -0.257
local terms energy: -118.511710
where:
bonds (distance) C4'-P energy: -21.713
bonds (distance) P-C4' energy: -21.559
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -18.589
tors. eta vs tors. theta energy: -36.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -229.311431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.311431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.311431 (E_RNA)
where:
Base-Base interactions energy: -151.066
where: short stacking energy: -68.311
Base-Backbone interact. energy: 0.975
local terms energy: -89.220438
where:
bonds (distance) C4'-P energy: -21.855
bonds (distance) P-C4' energy: -25.589
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -18.326
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -495.537455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.537455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.537455 (E_RNA)
where:
Base-Base interactions energy: -349.815
where: short stacking energy: -143.465
Base-Backbone interact. energy: -0.007
local terms energy: -155.715413
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -26.547
flat angles C4'-P-C4' energy: -31.760
flat angles P-C4'-P energy: -22.590
tors. eta vs tors. theta energy: -47.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -495.829073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.829073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.829073 (E_RNA)
where:
Base-Base interactions energy: -354.246
where: short stacking energy: -152.402
Base-Backbone interact. energy: -0.088
local terms energy: -151.494863
where:
bonds (distance) C4'-P energy: -30.853
bonds (distance) P-C4' energy: -27.042
flat angles C4'-P-C4' energy: -29.494
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -45.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -490.589788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.589788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.589788 (E_RNA)
where:
Base-Base interactions energy: -343.740
where: short stacking energy: -144.191
Base-Backbone interact. energy: -0.009
local terms energy: -156.841636
where:
bonds (distance) C4'-P energy: -29.872
bonds (distance) P-C4' energy: -27.322
flat angles C4'-P-C4' energy: -31.716
flat angles P-C4'-P energy: -23.190
tors. eta vs tors. theta energy: -44.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -473.577176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.577176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.577176 (E_RNA)
where:
Base-Base interactions energy: -342.392
where: short stacking energy: -134.510
Base-Backbone interact. energy: -0.336
local terms energy: -140.849322
where:
bonds (distance) C4'-P energy: -25.406
bonds (distance) P-C4' energy: -26.051
flat angles C4'-P-C4' energy: -26.570
flat angles P-C4'-P energy: -19.556
tors. eta vs tors. theta energy: -43.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -461.944010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.944010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.944010 (E_RNA)
where:
Base-Base interactions energy: -334.660
where: short stacking energy: -143.879
Base-Backbone interact. energy: -0.016
local terms energy: -137.267822
where:
bonds (distance) C4'-P energy: -28.853
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -25.493
flat angles P-C4'-P energy: -16.779
tors. eta vs tors. theta energy: -47.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -457.991869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.991869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.991869 (E_RNA)
where:
Base-Base interactions energy: -329.930
where: short stacking energy: -141.068
Base-Backbone interact. energy: -0.542
local terms energy: -137.520464
where:
bonds (distance) C4'-P energy: -22.221
bonds (distance) P-C4' energy: -22.873
flat angles C4'-P-C4' energy: -28.587
flat angles P-C4'-P energy: -20.815
tors. eta vs tors. theta energy: -43.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -422.131166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.131166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.131166 (E_RNA)
where:
Base-Base interactions energy: -306.243
where: short stacking energy: -124.269
Base-Backbone interact. energy: -0.154
local terms energy: -125.734384
where:
bonds (distance) C4'-P energy: -17.552
bonds (distance) P-C4' energy: -27.843
flat angles C4'-P-C4' energy: -23.165
flat angles P-C4'-P energy: -19.389
tors. eta vs tors. theta energy: -37.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -436.861368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.861368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.861368 (E_RNA)
where:
Base-Base interactions energy: -328.091
where: short stacking energy: -136.004
Base-Backbone interact. energy: -0.315
local terms energy: -118.455196
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -25.436
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: -39.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -409.883878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.883878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.883878 (E_RNA)
where:
Base-Base interactions energy: -308.973
where: short stacking energy: -118.747
Base-Backbone interact. energy: -0.554
local terms energy: -110.357684
where:
bonds (distance) C4'-P energy: -10.675
bonds (distance) P-C4' energy: -20.370
flat angles C4'-P-C4' energy: -27.006
flat angles P-C4'-P energy: -16.270
tors. eta vs tors. theta energy: -36.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -238.508138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.508138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.508138 (E_RNA)
where:
Base-Base interactions energy: -169.842
where: short stacking energy: -85.997
Base-Backbone interact. energy: -0.258
local terms energy: -78.408348
where:
bonds (distance) C4'-P energy: -21.221
bonds (distance) P-C4' energy: -20.143
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -7.838
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -499.732856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.732856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.732856 (E_RNA)
where:
Base-Base interactions energy: -354.711
where: short stacking energy: -149.770
Base-Backbone interact. energy: -0.671
local terms energy: -154.351261
where:
bonds (distance) C4'-P energy: -23.495
bonds (distance) P-C4' energy: -31.626
flat angles C4'-P-C4' energy: -31.509
flat angles P-C4'-P energy: -25.746
tors. eta vs tors. theta energy: -41.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -490.486634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.486634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.486634 (E_RNA)
where:
Base-Base interactions energy: -355.949
where: short stacking energy: -146.583
Base-Backbone interact. energy: -0.252
local terms energy: -144.285062
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -27.163
flat angles C4'-P-C4' energy: -31.509
flat angles P-C4'-P energy: -20.854
tors. eta vs tors. theta energy: -43.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -484.038635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.038635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.038635 (E_RNA)
where:
Base-Base interactions energy: -348.454
where: short stacking energy: -148.487
Base-Backbone interact. energy: -0.067
local terms energy: -145.518412
where:
bonds (distance) C4'-P energy: -21.512
bonds (distance) P-C4' energy: -29.424
flat angles C4'-P-C4' energy: -32.024
flat angles P-C4'-P energy: -17.790
tors. eta vs tors. theta energy: -44.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -474.291708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.291708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.291708 (E_RNA)
where:
Base-Base interactions energy: -339.007
where: short stacking energy: -149.467
Base-Backbone interact. energy: -0.002
local terms energy: -145.282734
where:
bonds (distance) C4'-P energy: -25.046
bonds (distance) P-C4' energy: -27.390
flat angles C4'-P-C4' energy: -30.183
flat angles P-C4'-P energy: -17.043
tors. eta vs tors. theta energy: -45.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -449.770608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.770608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.770608 (E_RNA)
where:
Base-Base interactions energy: -321.958
where: short stacking energy: -137.880
Base-Backbone interact. energy: -0.864
local terms energy: -136.947789
where:
bonds (distance) C4'-P energy: -21.628
bonds (distance) P-C4' energy: -27.483
flat angles C4'-P-C4' energy: -27.986
flat angles P-C4'-P energy: -17.221
tors. eta vs tors. theta energy: -42.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -446.619859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.619859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.619859 (E_RNA)
where:
Base-Base interactions energy: -321.537
where: short stacking energy: -139.120
Base-Backbone interact. energy: -0.125
local terms energy: -134.958328
where:
bonds (distance) C4'-P energy: -18.826
bonds (distance) P-C4' energy: -20.939
flat angles C4'-P-C4' energy: -28.124
flat angles P-C4'-P energy: -22.409
tors. eta vs tors. theta energy: -44.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -438.078493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.078493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.078493 (E_RNA)
where:
Base-Base interactions energy: -314.948
where: short stacking energy: -129.850
Base-Backbone interact. energy: -0.541
local terms energy: -132.588756
where:
bonds (distance) C4'-P energy: -25.314
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -27.595
flat angles P-C4'-P energy: -21.636
tors. eta vs tors. theta energy: -36.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -437.719559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.719559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.719559 (E_RNA)
where:
Base-Base interactions energy: -314.982
where: short stacking energy: -130.734
Base-Backbone interact. energy: -0.636
local terms energy: -132.101462
where:
bonds (distance) C4'-P energy: -21.704
bonds (distance) P-C4' energy: -20.164
flat angles C4'-P-C4' energy: -28.716
flat angles P-C4'-P energy: -18.709
tors. eta vs tors. theta energy: -42.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -414.495487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.495487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.495487 (E_RNA)
where:
Base-Base interactions energy: -299.741
where: short stacking energy: -125.755
Base-Backbone interact. energy: -0.371
local terms energy: -124.383677
where:
bonds (distance) C4'-P energy: -20.364
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -29.213
flat angles P-C4'-P energy: -20.743
tors. eta vs tors. theta energy: -37.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -224.726999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.726999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.726999 (E_RNA)
where:
Base-Base interactions energy: -146.402
where: short stacking energy: -67.835
Base-Backbone interact. energy: 0.271
local terms energy: -88.596265
where:
bonds (distance) C4'-P energy: -19.655
bonds (distance) P-C4' energy: -22.505
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -16.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -496.320976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.320976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.320976 (E_RNA)
where:
Base-Base interactions energy: -347.345
where: short stacking energy: -147.977
Base-Backbone interact. energy: -0.575
local terms energy: -158.401428
where:
bonds (distance) C4'-P energy: -30.559
bonds (distance) P-C4' energy: -27.853
flat angles C4'-P-C4' energy: -30.870
flat angles P-C4'-P energy: -21.602
tors. eta vs tors. theta energy: -47.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -494.613559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.613559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.613559 (E_RNA)
where:
Base-Base interactions energy: -350.378
where: short stacking energy: -139.934
Base-Backbone interact. energy: 0.189
local terms energy: -154.424852
where:
bonds (distance) C4'-P energy: -27.478
bonds (distance) P-C4' energy: -29.288
flat angles C4'-P-C4' energy: -33.428
flat angles P-C4'-P energy: -21.342
tors. eta vs tors. theta energy: -42.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -480.327221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.327221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.327221 (E_RNA)
where:
Base-Base interactions energy: -345.590
where: short stacking energy: -145.787
Base-Backbone interact. energy: -1.033
local terms energy: -143.704075
where:
bonds (distance) C4'-P energy: -26.311
bonds (distance) P-C4' energy: -22.172
flat angles C4'-P-C4' energy: -30.968
flat angles P-C4'-P energy: -16.574
tors. eta vs tors. theta energy: -47.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -465.315756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.315756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.315756 (E_RNA)
where:
Base-Base interactions energy: -332.386
where: short stacking energy: -135.147
Base-Backbone interact. energy: -0.048
local terms energy: -142.882160
where:
bonds (distance) C4'-P energy: -27.114
bonds (distance) P-C4' energy: -21.521
flat angles C4'-P-C4' energy: -34.392
flat angles P-C4'-P energy: -19.427
tors. eta vs tors. theta energy: -40.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -460.170784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.170784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.170784 (E_RNA)
where:
Base-Base interactions energy: -327.397
where: short stacking energy: -135.724
Base-Backbone interact. energy: -0.536
local terms energy: -142.237828
where:
bonds (distance) C4'-P energy: -23.624
bonds (distance) P-C4' energy: -25.943
flat angles C4'-P-C4' energy: -29.407
flat angles P-C4'-P energy: -21.708
tors. eta vs tors. theta energy: -41.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -453.415346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.415346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.415346 (E_RNA)
where:
Base-Base interactions energy: -336.996
where: short stacking energy: -129.660
Base-Backbone interact. energy: -0.346
local terms energy: -126.073451
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -24.950
flat angles C4'-P-C4' energy: -27.431
flat angles P-C4'-P energy: -14.782
tors. eta vs tors. theta energy: -42.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -459.277744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.277744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.277744 (E_RNA)
where:
Base-Base interactions energy: -322.954
where: short stacking energy: -128.805
Base-Backbone interact. energy: -0.290
local terms energy: -146.033220
where:
bonds (distance) C4'-P energy: -26.649
bonds (distance) P-C4' energy: -30.355
flat angles C4'-P-C4' energy: -25.315
flat angles P-C4'-P energy: -21.881
tors. eta vs tors. theta energy: -41.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -413.968598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.968598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.968598 (E_RNA)
where:
Base-Base interactions energy: -303.974
where: short stacking energy: -127.862
Base-Backbone interact. energy: -0.051
local terms energy: -119.943937
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -21.623
flat angles C4'-P-C4' energy: -29.866
flat angles P-C4'-P energy: -16.287
tors. eta vs tors. theta energy: -37.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -430.773557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.773557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.773557 (E_RNA)
where:
Base-Base interactions energy: -308.330
where: short stacking energy: -132.009
Base-Backbone interact. energy: 1.143
local terms energy: -133.586857
where:
bonds (distance) C4'-P energy: -24.437
bonds (distance) P-C4' energy: -24.791
flat angles C4'-P-C4' energy: -26.197
flat angles P-C4'-P energy: -13.675
tors. eta vs tors. theta energy: -44.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -218.244726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.244726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.244726 (E_RNA)
where:
Base-Base interactions energy: -142.971
where: short stacking energy: -75.286
Base-Backbone interact. energy: -0.259
local terms energy: -85.015224
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -23.078
flat angles C4'-P-C4' energy: -24.904
flat angles P-C4'-P energy: -10.373
tors. eta vs tors. theta energy: -11.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -496.592599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.592599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.592599 (E_RNA)
where:
Base-Base interactions energy: -355.624
where: short stacking energy: -150.195
Base-Backbone interact. energy: 0.053
local terms energy: -151.021058
where:
bonds (distance) C4'-P energy: -24.726
bonds (distance) P-C4' energy: -30.358
flat angles C4'-P-C4' energy: -32.616
flat angles P-C4'-P energy: -19.122
tors. eta vs tors. theta energy: -44.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -492.713817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.713817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.713817 (E_RNA)
where:
Base-Base interactions energy: -348.106
where: short stacking energy: -148.972
Base-Backbone interact. energy: -0.922
local terms energy: -153.686622
where:
bonds (distance) C4'-P energy: -27.214
bonds (distance) P-C4' energy: -29.514
flat angles C4'-P-C4' energy: -31.755
flat angles P-C4'-P energy: -20.360
tors. eta vs tors. theta energy: -44.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -484.257827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.257827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.257827 (E_RNA)
where:
Base-Base interactions energy: -347.244
where: short stacking energy: -148.522
Base-Backbone interact. energy: -0.216
local terms energy: -146.797324
where:
bonds (distance) C4'-P energy: -24.925
bonds (distance) P-C4' energy: -24.962
flat angles C4'-P-C4' energy: -32.925
flat angles P-C4'-P energy: -20.948
tors. eta vs tors. theta energy: -43.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -470.781670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.781670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.781670 (E_RNA)
where:
Base-Base interactions energy: -337.382
where: short stacking energy: -138.341
Base-Backbone interact. energy: -0.572
local terms energy: -142.828230
where:
bonds (distance) C4'-P energy: -24.760
bonds (distance) P-C4' energy: -27.694
flat angles C4'-P-C4' energy: -26.094
flat angles P-C4'-P energy: -22.786
tors. eta vs tors. theta energy: -41.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -466.546921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.546921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.546921 (E_RNA)
where:
Base-Base interactions energy: -328.373
where: short stacking energy: -136.922
Base-Backbone interact. energy: 2.829
local terms energy: -151.003164
where:
bonds (distance) C4'-P energy: -27.826
bonds (distance) P-C4' energy: -29.400
flat angles C4'-P-C4' energy: -28.925
flat angles P-C4'-P energy: -19.186
tors. eta vs tors. theta energy: -45.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -461.331252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.331252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.331252 (E_RNA)
where:
Base-Base interactions energy: -321.767
where: short stacking energy: -136.467
Base-Backbone interact. energy: 0.411
local terms energy: -149.976040
where:
bonds (distance) C4'-P energy: -29.416
bonds (distance) P-C4' energy: -25.285
flat angles C4'-P-C4' energy: -30.442
flat angles P-C4'-P energy: -22.392
tors. eta vs tors. theta energy: -42.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -444.564607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.564607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.564607 (E_RNA)
where:
Base-Base interactions energy: -324.814
where: short stacking energy: -135.888
Base-Backbone interact. energy: 0.883
local terms energy: -130.632912
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -23.641
flat angles C4'-P-C4' energy: -25.043
flat angles P-C4'-P energy: -22.413
tors. eta vs tors. theta energy: -44.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -417.215862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.215862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.215862 (E_RNA)
where:
Base-Base interactions energy: -302.672
where: short stacking energy: -137.023
Base-Backbone interact. energy: -0.016
local terms energy: -124.527789
where:
bonds (distance) C4'-P energy: -23.625
bonds (distance) P-C4' energy: -20.640
flat angles C4'-P-C4' energy: -27.666
flat angles P-C4'-P energy: -17.935
tors. eta vs tors. theta energy: -34.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -419.630821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.630821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.630821 (E_RNA)
where:
Base-Base interactions energy: -302.963
where: short stacking energy: -121.632
Base-Backbone interact. energy: 0.750
local terms energy: -127.417840
where:
bonds (distance) C4'-P energy: -25.872
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -29.425
flat angles P-C4'-P energy: -22.671
tors. eta vs tors. theta energy: -32.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -201.056014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.056014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.056014 (E_RNA)
where:
Base-Base interactions energy: -122.032
where: short stacking energy: -42.783
Base-Backbone interact. energy: -0.989
local terms energy: -88.034963
where:
bonds (distance) C4'-P energy: -22.031
bonds (distance) P-C4' energy: -26.314
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -15.139
tors. eta vs tors. theta energy: -2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -486.202265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.202265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.202265 (E_RNA)
where:
Base-Base interactions energy: -347.290
where: short stacking energy: -145.519
Base-Backbone interact. energy: -0.270
local terms energy: -148.642311
where:
bonds (distance) C4'-P energy: -29.239
bonds (distance) P-C4' energy: -28.810
flat angles C4'-P-C4' energy: -28.269
flat angles P-C4'-P energy: -18.489
tors. eta vs tors. theta energy: -43.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -489.365151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.365151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.365151 (E_RNA)
where:
Base-Base interactions energy: -351.607
where: short stacking energy: -154.991
Base-Backbone interact. energy: -0.610
local terms energy: -147.148648
where:
bonds (distance) C4'-P energy: -26.612
bonds (distance) P-C4' energy: -27.348
flat angles C4'-P-C4' energy: -26.299
flat angles P-C4'-P energy: -19.442
tors. eta vs tors. theta energy: -47.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -485.134935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.134935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.134935 (E_RNA)
where:
Base-Base interactions energy: -345.288
where: short stacking energy: -141.743
Base-Backbone interact. energy: -0.361
local terms energy: -149.485865
where:
bonds (distance) C4'-P energy: -23.836
bonds (distance) P-C4' energy: -27.811
flat angles C4'-P-C4' energy: -31.833
flat angles P-C4'-P energy: -21.201
tors. eta vs tors. theta energy: -44.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -482.471142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.471142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.471142 (E_RNA)
where:
Base-Base interactions energy: -345.606
where: short stacking energy: -144.443
Base-Backbone interact. energy: -0.034
local terms energy: -146.830798
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -26.402
flat angles C4'-P-C4' energy: -31.639
flat angles P-C4'-P energy: -23.999
tors. eta vs tors. theta energy: -46.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -460.842214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.842214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.842214 (E_RNA)
where:
Base-Base interactions energy: -332.739
where: short stacking energy: -138.212
Base-Backbone interact. energy: -0.045
local terms energy: -138.057707
where:
bonds (distance) C4'-P energy: -20.367
bonds (distance) P-C4' energy: -25.791
flat angles C4'-P-C4' energy: -27.326
flat angles P-C4'-P energy: -19.724
tors. eta vs tors. theta energy: -44.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -450.447342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.447342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.447342 (E_RNA)
where:
Base-Base interactions energy: -320.829
where: short stacking energy: -119.762
Base-Backbone interact. energy: -0.172
local terms energy: -139.446708
where:
bonds (distance) C4'-P energy: -24.417
bonds (distance) P-C4' energy: -26.134
flat angles C4'-P-C4' energy: -27.080
flat angles P-C4'-P energy: -19.777
tors. eta vs tors. theta energy: -42.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -429.609185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.609185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.609185 (E_RNA)
where:
Base-Base interactions energy: -307.772
where: short stacking energy: -125.565
Base-Backbone interact. energy: -0.119
local terms energy: -131.718881
where:
bonds (distance) C4'-P energy: -29.301
bonds (distance) P-C4' energy: -24.596
flat angles C4'-P-C4' energy: -27.645
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -35.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -441.303942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.303942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.303942 (E_RNA)
where:
Base-Base interactions energy: -320.953
where: short stacking energy: -122.358
Base-Backbone interact. energy: -0.438
local terms energy: -129.912143
where:
bonds (distance) C4'-P energy: -21.504
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -29.833
flat angles P-C4'-P energy: -21.977
tors. eta vs tors. theta energy: -38.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -420.933508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.933508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.933508 (E_RNA)
where:
Base-Base interactions energy: -295.521
where: short stacking energy: -122.577
Base-Backbone interact. energy: -0.964
local terms energy: -134.447789
where:
bonds (distance) C4'-P energy: -25.055
bonds (distance) P-C4' energy: -22.888
flat angles C4'-P-C4' energy: -31.295
flat angles P-C4'-P energy: -20.342
tors. eta vs tors. theta energy: -34.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -236.945055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.945055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.945055 (E_RNA)
where:
Base-Base interactions energy: -155.572
where: short stacking energy: -76.462
Base-Backbone interact. energy: -0.551
local terms energy: -90.822348
where:
bonds (distance) C4'-P energy: -24.651
bonds (distance) P-C4' energy: -22.521
flat angles C4'-P-C4' energy: -21.093
flat angles P-C4'-P energy: -13.479
tors. eta vs tors. theta energy: -9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -491.848426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.848426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.848426 (E_RNA)
where:
Base-Base interactions energy: -346.661
where: short stacking energy: -147.845
Base-Backbone interact. energy: -0.074
local terms energy: -155.112996
where:
bonds (distance) C4'-P energy: -27.012
bonds (distance) P-C4' energy: -30.456
flat angles C4'-P-C4' energy: -31.605
flat angles P-C4'-P energy: -22.003
tors. eta vs tors. theta energy: -44.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -497.386880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.386880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.386880 (E_RNA)
where:
Base-Base interactions energy: -357.794
where: short stacking energy: -151.951
Base-Backbone interact. energy: -0.611
local terms energy: -148.982094
where:
bonds (distance) C4'-P energy: -20.889
bonds (distance) P-C4' energy: -27.830
flat angles C4'-P-C4' energy: -29.452
flat angles P-C4'-P energy: -25.241
tors. eta vs tors. theta energy: -45.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -477.880738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.880738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.880738 (E_RNA)
where:
Base-Base interactions energy: -336.855
where: short stacking energy: -139.857
Base-Backbone interact. energy: -0.728
local terms energy: -150.298456
where:
bonds (distance) C4'-P energy: -29.107
bonds (distance) P-C4' energy: -25.708
flat angles C4'-P-C4' energy: -31.511
flat angles P-C4'-P energy: -21.956
tors. eta vs tors. theta energy: -42.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -463.113749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.113749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.113749 (E_RNA)
where:
Base-Base interactions energy: -334.507
where: short stacking energy: -139.844
Base-Backbone interact. energy: -0.019
local terms energy: -138.587306
where:
bonds (distance) C4'-P energy: -26.787
bonds (distance) P-C4' energy: -23.504
flat angles C4'-P-C4' energy: -27.384
flat angles P-C4'-P energy: -20.761
tors. eta vs tors. theta energy: -40.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -459.633503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.633503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.633503 (E_RNA)
where:
Base-Base interactions energy: -316.822
where: short stacking energy: -128.025
Base-Backbone interact. energy: -0.163
local terms energy: -152.647880
where:
bonds (distance) C4'-P energy: -27.189
bonds (distance) P-C4' energy: -26.924
flat angles C4'-P-C4' energy: -31.969
flat angles P-C4'-P energy: -22.601
tors. eta vs tors. theta energy: -43.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -459.732761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.732761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.732761 (E_RNA)
where:
Base-Base interactions energy: -330.224
where: short stacking energy: -146.687
Base-Backbone interact. energy: -0.324
local terms energy: -139.184244
where:
bonds (distance) C4'-P energy: -24.049
bonds (distance) P-C4' energy: -25.692
flat angles C4'-P-C4' energy: -23.210
flat angles P-C4'-P energy: -22.923
tors. eta vs tors. theta energy: -43.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -450.816735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.816735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.816735 (E_RNA)
where:
Base-Base interactions energy: -326.542
where: short stacking energy: -140.359
Base-Backbone interact. energy: -0.387
local terms energy: -133.888397
where:
bonds (distance) C4'-P energy: -25.070
bonds (distance) P-C4' energy: -21.642
flat angles C4'-P-C4' energy: -25.629
flat angles P-C4'-P energy: -21.666
tors. eta vs tors. theta energy: -39.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -446.196873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.196873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.196873 (E_RNA)
where:
Base-Base interactions energy: -312.473
where: short stacking energy: -131.157
Base-Backbone interact. energy: 0.773
local terms energy: -144.496832
where:
bonds (distance) C4'-P energy: -23.719
bonds (distance) P-C4' energy: -28.924
flat angles C4'-P-C4' energy: -28.511
flat angles P-C4'-P energy: -17.516
tors. eta vs tors. theta energy: -45.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -411.523144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.523144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.523144 (E_RNA)
where:
Base-Base interactions energy: -298.640
where: short stacking energy: -116.712
Base-Backbone interact. energy: -0.472
local terms energy: -122.410909
where:
bonds (distance) C4'-P energy: -27.458
bonds (distance) P-C4' energy: -26.267
flat angles C4'-P-C4' energy: -25.893
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -31.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -244.501963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.501963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.501963 (E_RNA)
where:
Base-Base interactions energy: -169.689
where: short stacking energy: -75.710
Base-Backbone interact. energy: 2.431
local terms energy: -87.244038
where:
bonds (distance) C4'-P energy: -23.036
bonds (distance) P-C4' energy: -19.864
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -15.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -493.881082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.881082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.881082 (E_RNA)
where:
Base-Base interactions energy: -351.506
where: short stacking energy: -149.503
Base-Backbone interact. energy: -0.007
local terms energy: -152.368132
where:
bonds (distance) C4'-P energy: -25.065
bonds (distance) P-C4' energy: -27.993
flat angles C4'-P-C4' energy: -30.677
flat angles P-C4'-P energy: -21.411
tors. eta vs tors. theta energy: -47.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -482.441599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.441599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.441599 (E_RNA)
where:
Base-Base interactions energy: -343.164
where: short stacking energy: -145.914
Base-Backbone interact. energy: -0.618
local terms energy: -148.659759
where:
bonds (distance) C4'-P energy: -24.522
bonds (distance) P-C4' energy: -25.068
flat angles C4'-P-C4' energy: -29.426
flat angles P-C4'-P energy: -24.975
tors. eta vs tors. theta energy: -44.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -485.110771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.110771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.110771 (E_RNA)
where:
Base-Base interactions energy: -348.382
where: short stacking energy: -142.166
Base-Backbone interact. energy: -0.664
local terms energy: -146.064944
where:
bonds (distance) C4'-P energy: -24.908
bonds (distance) P-C4' energy: -26.754
flat angles C4'-P-C4' energy: -27.762
flat angles P-C4'-P energy: -22.385
tors. eta vs tors. theta energy: -44.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -462.716686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.716686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.716686 (E_RNA)
where:
Base-Base interactions energy: -342.669
where: short stacking energy: -144.812
Base-Backbone interact. energy: -0.080
local terms energy: -129.967984
where:
bonds (distance) C4'-P energy: -21.874
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -29.801
flat angles P-C4'-P energy: -18.541
tors. eta vs tors. theta energy: -41.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -459.305594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.305594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.305594 (E_RNA)
where:
Base-Base interactions energy: -327.926
where: short stacking energy: -135.352
Base-Backbone interact. energy: -0.147
local terms energy: -141.233137
where:
bonds (distance) C4'-P energy: -25.096
bonds (distance) P-C4' energy: -23.059
flat angles C4'-P-C4' energy: -29.562
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -39.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -445.837778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.837778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.837778 (E_RNA)
where:
Base-Base interactions energy: -317.863
where: short stacking energy: -134.476
Base-Backbone interact. energy: -0.995
local terms energy: -136.979759
where:
bonds (distance) C4'-P energy: -23.482
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -33.565
flat angles P-C4'-P energy: -18.549
tors. eta vs tors. theta energy: -40.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -457.939087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.939087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.939087 (E_RNA)
where:
Base-Base interactions energy: -322.005
where: short stacking energy: -135.556
Base-Backbone interact. energy: -0.042
local terms energy: -145.891410
where:
bonds (distance) C4'-P energy: -25.447
bonds (distance) P-C4' energy: -21.233
flat angles C4'-P-C4' energy: -29.878
flat angles P-C4'-P energy: -25.544
tors. eta vs tors. theta energy: -43.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -433.006777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.006777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.006777 (E_RNA)
where:
Base-Base interactions energy: -313.743
where: short stacking energy: -129.134
Base-Backbone interact. energy: -0.081
local terms energy: -129.182261
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -24.408
flat angles P-C4'-P energy: -23.424
tors. eta vs tors. theta energy: -44.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -407.757806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.757806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.757806 (E_RNA)
where:
Base-Base interactions energy: -300.688
where: short stacking energy: -125.229
Base-Backbone interact. energy: -0.594
local terms energy: -116.475412
where:
bonds (distance) C4'-P energy: -22.015
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -37.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -238.388529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.388529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.388529 (E_RNA)
where:
Base-Base interactions energy: -147.998
where: short stacking energy: -73.002
Base-Backbone interact. energy: 0.925
local terms energy: -101.315082
where:
bonds (distance) C4'-P energy: -25.420
bonds (distance) P-C4' energy: -25.705
flat angles C4'-P-C4' energy: -23.540
flat angles P-C4'-P energy: -15.942
tors. eta vs tors. theta energy: -10.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -507.139504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.139504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.139504 (E_RNA)
where:
Base-Base interactions energy: -355.149
where: short stacking energy: -150.740
Base-Backbone interact. energy: -0.625
local terms energy: -161.366247
where:
bonds (distance) C4'-P energy: -27.312
bonds (distance) P-C4' energy: -31.032
flat angles C4'-P-C4' energy: -33.479
flat angles P-C4'-P energy: -23.771
tors. eta vs tors. theta energy: -45.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -481.195267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.195267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.195267 (E_RNA)
where:
Base-Base interactions energy: -349.732
where: short stacking energy: -146.493
Base-Backbone interact. energy: -0.042
local terms energy: -141.421794
where:
bonds (distance) C4'-P energy: -25.987
bonds (distance) P-C4' energy: -24.802
flat angles C4'-P-C4' energy: -29.875
flat angles P-C4'-P energy: -18.029
tors. eta vs tors. theta energy: -42.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -483.349557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.349557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.349557 (E_RNA)
where:
Base-Base interactions energy: -338.425
where: short stacking energy: -147.858
Base-Backbone interact. energy: -0.004
local terms energy: -154.920666
where:
bonds (distance) C4'-P energy: -28.240
bonds (distance) P-C4' energy: -26.334
flat angles C4'-P-C4' energy: -31.938
flat angles P-C4'-P energy: -23.679
tors. eta vs tors. theta energy: -44.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -467.756866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.756866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.756866 (E_RNA)
where:
Base-Base interactions energy: -330.703
where: short stacking energy: -133.275
Base-Backbone interact. energy: -0.856
local terms energy: -146.197422
where:
bonds (distance) C4'-P energy: -28.224
bonds (distance) P-C4' energy: -27.160
flat angles C4'-P-C4' energy: -28.239
flat angles P-C4'-P energy: -19.974
tors. eta vs tors. theta energy: -42.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -443.668378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.668378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.668378 (E_RNA)
where:
Base-Base interactions energy: -312.446
where: short stacking energy: -137.864
Base-Backbone interact. energy: -0.283
local terms energy: -140.939988
where:
bonds (distance) C4'-P energy: -25.614
bonds (distance) P-C4' energy: -31.324
flat angles C4'-P-C4' energy: -27.649
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -39.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -472.651564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.651564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.651564 (E_RNA)
where:
Base-Base interactions energy: -336.912
where: short stacking energy: -144.996
Base-Backbone interact. energy: -0.038
local terms energy: -145.701970
where:
bonds (distance) C4'-P energy: -26.342
bonds (distance) P-C4' energy: -23.928
flat angles C4'-P-C4' energy: -25.698
flat angles P-C4'-P energy: -25.640
tors. eta vs tors. theta energy: -44.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -442.832459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.832459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.832459 (E_RNA)
where:
Base-Base interactions energy: -309.968
where: short stacking energy: -113.707
Base-Backbone interact. energy: -1.423
local terms energy: -141.441767
where:
bonds (distance) C4'-P energy: -28.509
bonds (distance) P-C4' energy: -23.874
flat angles C4'-P-C4' energy: -32.161
flat angles P-C4'-P energy: -21.697
tors. eta vs tors. theta energy: -35.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -433.668097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.668097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.668097 (E_RNA)
where:
Base-Base interactions energy: -319.554
where: short stacking energy: -132.149
Base-Backbone interact. energy: -1.024
local terms energy: -123.090192
where:
bonds (distance) C4'-P energy: -19.286
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -26.883
flat angles P-C4'-P energy: -18.952
tors. eta vs tors. theta energy: -38.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -421.977595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.977595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.977595 (E_RNA)
where:
Base-Base interactions energy: -302.272
where: short stacking energy: -115.821
Base-Backbone interact. energy: 0.027
local terms energy: -129.732530
where:
bonds (distance) C4'-P energy: -25.983
bonds (distance) P-C4' energy: -29.163
flat angles C4'-P-C4' energy: -20.064
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -38.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -233.817813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.817813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.817813 (E_RNA)
where:
Base-Base interactions energy: -149.379
where: short stacking energy: -86.053
Base-Backbone interact. energy: -1.068
local terms energy: -93.369909
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -22.706
flat angles P-C4'-P energy: -17.462
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -493.809776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.809776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.809776 (E_RNA)
where:
Base-Base interactions energy: -353.089
where: short stacking energy: -137.371
Base-Backbone interact. energy: -0.112
local terms energy: -150.608003
where:
bonds (distance) C4'-P energy: -26.234
bonds (distance) P-C4' energy: -25.175
flat angles C4'-P-C4' energy: -33.239
flat angles P-C4'-P energy: -22.095
tors. eta vs tors. theta energy: -43.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -489.613929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.613929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.613929 (E_RNA)
where:
Base-Base interactions energy: -355.976
where: short stacking energy: -145.793
Base-Backbone interact. energy: -0.187
local terms energy: -143.450570
where:
bonds (distance) C4'-P energy: -23.641
bonds (distance) P-C4' energy: -24.104
flat angles C4'-P-C4' energy: -30.416
flat angles P-C4'-P energy: -20.837
tors. eta vs tors. theta energy: -44.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -477.108945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.108945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.108945 (E_RNA)
where:
Base-Base interactions energy: -336.223
where: short stacking energy: -141.380
Base-Backbone interact. energy: -0.629
local terms energy: -150.257038
where:
bonds (distance) C4'-P energy: -30.312
bonds (distance) P-C4' energy: -24.648
flat angles C4'-P-C4' energy: -28.357
flat angles P-C4'-P energy: -21.879
tors. eta vs tors. theta energy: -45.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -481.726093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.726093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.726093 (E_RNA)
where:
Base-Base interactions energy: -338.244
where: short stacking energy: -142.192
Base-Backbone interact. energy: -0.001
local terms energy: -153.480463
where:
bonds (distance) C4'-P energy: -28.975
bonds (distance) P-C4' energy: -29.353
flat angles C4'-P-C4' energy: -32.267
flat angles P-C4'-P energy: -20.504
tors. eta vs tors. theta energy: -42.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -468.459641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.459641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.459641 (E_RNA)
where:
Base-Base interactions energy: -335.007
where: short stacking energy: -139.539
Base-Backbone interact. energy: 0.368
local terms energy: -143.820639
where:
bonds (distance) C4'-P energy: -24.027
bonds (distance) P-C4' energy: -28.506
flat angles C4'-P-C4' energy: -27.862
flat angles P-C4'-P energy: -18.986
tors. eta vs tors. theta energy: -44.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -435.246689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.246689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.246689 (E_RNA)
where:
Base-Base interactions energy: -317.141
where: short stacking energy: -129.052
Base-Backbone interact. energy: 0.766
local terms energy: -128.871479
where:
bonds (distance) C4'-P energy: -24.494
bonds (distance) P-C4' energy: -24.736
flat angles C4'-P-C4' energy: -25.657
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -37.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -435.207561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.207561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.207561 (E_RNA)
where:
Base-Base interactions energy: -328.920
where: short stacking energy: -132.831
Base-Backbone interact. energy: -0.812
local terms energy: -115.474808
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -21.720
flat angles C4'-P-C4' energy: -25.803
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -41.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -427.928540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.928540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.928540 (E_RNA)
where:
Base-Base interactions energy: -312.369
where: short stacking energy: -132.435
Base-Backbone interact. energy: -0.002
local terms energy: -125.557464
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -20.811
flat angles C4'-P-C4' energy: -26.274
flat angles P-C4'-P energy: -20.669
tors. eta vs tors. theta energy: -37.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -405.421938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.421938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.421938 (E_RNA)
where:
Base-Base interactions energy: -296.444
where: short stacking energy: -123.399
Base-Backbone interact. energy: -0.173
local terms energy: -118.804957
where:
bonds (distance) C4'-P energy: -22.059
bonds (distance) P-C4' energy: -24.094
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -35.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -175.384613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.384613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.384613 (E_RNA)
where:
Base-Base interactions energy: -108.443
where: short stacking energy: -45.538
Base-Backbone interact. energy: -0.380
local terms energy: -76.561157
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -490.925785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.925785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.925785 (E_RNA)
where:
Base-Base interactions energy: -353.298
where: short stacking energy: -152.025
Base-Backbone interact. energy: -0.184
local terms energy: -147.443055
where:
bonds (distance) C4'-P energy: -29.284
bonds (distance) P-C4' energy: -27.925
flat angles C4'-P-C4' energy: -30.319
flat angles P-C4'-P energy: -19.156
tors. eta vs tors. theta energy: -40.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -489.369783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.369783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.369783 (E_RNA)
where:
Base-Base interactions energy: -347.225
where: short stacking energy: -135.838
Base-Backbone interact. energy: -0.022
local terms energy: -152.122494
where:
bonds (distance) C4'-P energy: -30.120
bonds (distance) P-C4' energy: -27.297
flat angles C4'-P-C4' energy: -32.177
flat angles P-C4'-P energy: -19.642
tors. eta vs tors. theta energy: -42.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -479.564068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.564068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.564068 (E_RNA)
where:
Base-Base interactions energy: -338.849
where: short stacking energy: -137.968
Base-Backbone interact. energy: -0.518
local terms energy: -150.197032
where:
bonds (distance) C4'-P energy: -29.813
bonds (distance) P-C4' energy: -25.580
flat angles C4'-P-C4' energy: -28.563
flat angles P-C4'-P energy: -21.293
tors. eta vs tors. theta energy: -44.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -478.036447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.036447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.036447 (E_RNA)
where:
Base-Base interactions energy: -334.636
where: short stacking energy: -142.925
Base-Backbone interact. energy: -0.009
local terms energy: -153.391621
where:
bonds (distance) C4'-P energy: -29.728
bonds (distance) P-C4' energy: -28.960
flat angles C4'-P-C4' energy: -30.455
flat angles P-C4'-P energy: -17.782
tors. eta vs tors. theta energy: -46.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -466.750758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.750758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.750758 (E_RNA)
where:
Base-Base interactions energy: -338.058
where: short stacking energy: -138.233
Base-Backbone interact. energy: -0.095
local terms energy: -138.597288
where:
bonds (distance) C4'-P energy: -26.572
bonds (distance) P-C4' energy: -26.043
flat angles C4'-P-C4' energy: -26.731
flat angles P-C4'-P energy: -15.109
tors. eta vs tors. theta energy: -44.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -462.115895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.115895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.115895 (E_RNA)
where:
Base-Base interactions energy: -332.410
where: short stacking energy: -132.240
Base-Backbone interact. energy: -0.942
local terms energy: -138.763434
where:
bonds (distance) C4'-P energy: -20.176
bonds (distance) P-C4' energy: -26.971
flat angles C4'-P-C4' energy: -28.760
flat angles P-C4'-P energy: -21.181
tors. eta vs tors. theta energy: -41.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -396.008009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.008009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.008009 (E_RNA)
where:
Base-Base interactions energy: -287.795
where: short stacking energy: -124.487
Base-Backbone interact. energy: -0.191
local terms energy: -118.021320
where:
bonds (distance) C4'-P energy: -21.163
bonds (distance) P-C4' energy: -22.664
flat angles C4'-P-C4' energy: -24.137
flat angles P-C4'-P energy: -18.692
tors. eta vs tors. theta energy: -31.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -436.412568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.412568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.412568 (E_RNA)
where:
Base-Base interactions energy: -316.141
where: short stacking energy: -135.944
Base-Backbone interact. energy: -0.020
local terms energy: -130.251802
where:
bonds (distance) C4'-P energy: -21.650
bonds (distance) P-C4' energy: -22.551
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -40.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -425.974063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.974063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.974063 (E_RNA)
where:
Base-Base interactions energy: -313.819
where: short stacking energy: -129.358
Base-Backbone interact. energy: -0.301
local terms energy: -121.853779
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -24.255
flat angles C4'-P-C4' energy: -28.750
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -37.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -196.268848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.268848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.268848 (E_RNA)
where:
Base-Base interactions energy: -106.524
where: short stacking energy: -46.790
Base-Backbone interact. energy: -0.976
local terms energy: -98.768590
where:
bonds (distance) C4'-P energy: -21.605
bonds (distance) P-C4' energy: -27.178
flat angles C4'-P-C4' energy: -22.002
flat angles P-C4'-P energy: -20.266
tors. eta vs tors. theta energy: -7.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -491.980037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.980037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.980037 (E_RNA)
where:
Base-Base interactions energy: -345.415
where: short stacking energy: -139.871
Base-Backbone interact. energy: -1.316
local terms energy: -155.249836
where:
bonds (distance) C4'-P energy: -27.754
bonds (distance) P-C4' energy: -29.991
flat angles C4'-P-C4' energy: -29.125
flat angles P-C4'-P energy: -23.749
tors. eta vs tors. theta energy: -44.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -490.665915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.665915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.665915 (E_RNA)
where:
Base-Base interactions energy: -346.582
where: short stacking energy: -152.448
Base-Backbone interact. energy: -0.777
local terms energy: -153.307317
where:
bonds (distance) C4'-P energy: -31.130
bonds (distance) P-C4' energy: -26.518
flat angles C4'-P-C4' energy: -29.199
flat angles P-C4'-P energy: -22.942
tors. eta vs tors. theta energy: -43.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -481.545084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.545084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.545084 (E_RNA)
where:
Base-Base interactions energy: -348.612
where: short stacking energy: -151.334
Base-Backbone interact. energy: -0.577
local terms energy: -142.355568
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -26.006
flat angles C4'-P-C4' energy: -34.668
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -48.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -456.626023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.626023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.626023 (E_RNA)
where:
Base-Base interactions energy: -325.905
where: short stacking energy: -129.363
Base-Backbone interact. energy: -0.007
local terms energy: -140.714305
where:
bonds (distance) C4'-P energy: -26.912
bonds (distance) P-C4' energy: -26.981
flat angles C4'-P-C4' energy: -26.596
flat angles P-C4'-P energy: -19.087
tors. eta vs tors. theta energy: -41.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -459.707883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.707883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.707883 (E_RNA)
where:
Base-Base interactions energy: -327.035
where: short stacking energy: -136.295
Base-Backbone interact. energy: -0.257
local terms energy: -142.415743
where:
bonds (distance) C4'-P energy: -23.028
bonds (distance) P-C4' energy: -28.693
flat angles C4'-P-C4' energy: -31.466
flat angles P-C4'-P energy: -22.094
tors. eta vs tors. theta energy: -37.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -459.840937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.840937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.840937 (E_RNA)
where:
Base-Base interactions energy: -335.275
where: short stacking energy: -140.639
Base-Backbone interact. energy: -0.097
local terms energy: -134.468457
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -20.120
flat angles C4'-P-C4' energy: -29.456
flat angles P-C4'-P energy: -22.757
tors. eta vs tors. theta energy: -44.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -436.187715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.187715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.187715 (E_RNA)
where:
Base-Base interactions energy: -318.722
where: short stacking energy: -122.829
Base-Backbone interact. energy: -0.181
local terms energy: -127.284940
where:
bonds (distance) C4'-P energy: -23.827
bonds (distance) P-C4' energy: -24.357
flat angles C4'-P-C4' energy: -21.878
flat angles P-C4'-P energy: -18.378
tors. eta vs tors. theta energy: -38.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -419.296610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.296610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.296610 (E_RNA)
where:
Base-Base interactions energy: -312.679
where: short stacking energy: -120.273
Base-Backbone interact. energy: -0.164
local terms energy: -116.453819
where:
bonds (distance) C4'-P energy: -20.029
bonds (distance) P-C4' energy: -24.902
flat angles C4'-P-C4' energy: -24.274
flat angles P-C4'-P energy: -18.133
tors. eta vs tors. theta energy: -29.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -422.306972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.306972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.306972 (E_RNA)
where:
Base-Base interactions energy: -297.621
where: short stacking energy: -122.139
Base-Backbone interact. energy: 0.161
local terms energy: -134.846930
where:
bonds (distance) C4'-P energy: -23.631
bonds (distance) P-C4' energy: -27.204
flat angles C4'-P-C4' energy: -27.871
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -40.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -227.491847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.491847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.491847 (E_RNA)
where:
Base-Base interactions energy: -144.026
where: short stacking energy: -75.526
Base-Backbone interact. energy: -1.066
local terms energy: -92.399848
where:
bonds (distance) C4'-P energy: -21.817
bonds (distance) P-C4' energy: -22.268
flat angles C4'-P-C4' energy: -23.322
flat angles P-C4'-P energy: -11.677
tors. eta vs tors. theta energy: -13.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -502.191470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.191470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.191470 (E_RNA)
where:
Base-Base interactions energy: -360.144
where: short stacking energy: -159.651
Base-Backbone interact. energy: -0.033
local terms energy: -152.015040
where:
bonds (distance) C4'-P energy: -26.792
bonds (distance) P-C4' energy: -24.473
flat angles C4'-P-C4' energy: -29.808
flat angles P-C4'-P energy: -25.074
tors. eta vs tors. theta energy: -45.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -483.954726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.954726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.954726 (E_RNA)
where:
Base-Base interactions energy: -350.575
where: short stacking energy: -150.236
Base-Backbone interact. energy: -0.530
local terms energy: -142.848974
where:
bonds (distance) C4'-P energy: -23.444
bonds (distance) P-C4' energy: -25.333
flat angles C4'-P-C4' energy: -30.010
flat angles P-C4'-P energy: -20.965
tors. eta vs tors. theta energy: -43.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -474.312861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.312861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.312861 (E_RNA)
where:
Base-Base interactions energy: -340.664
where: short stacking energy: -138.437
Base-Backbone interact. energy: -1.315
local terms energy: -142.333837
where:
bonds (distance) C4'-P energy: -27.319
bonds (distance) P-C4' energy: -24.645
flat angles C4'-P-C4' energy: -29.643
flat angles P-C4'-P energy: -21.107
tors. eta vs tors. theta energy: -39.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -475.662507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.662507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.662507 (E_RNA)
where:
Base-Base interactions energy: -347.392
where: short stacking energy: -148.456
Base-Backbone interact. energy: -0.617
local terms energy: -137.653613
where:
bonds (distance) C4'-P energy: -20.072
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -31.463
flat angles P-C4'-P energy: -22.640
tors. eta vs tors. theta energy: -44.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -465.491496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.491496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.491496 (E_RNA)
where:
Base-Base interactions energy: -335.712
where: short stacking energy: -141.707
Base-Backbone interact. energy: -0.487
local terms energy: -139.292554
where:
bonds (distance) C4'-P energy: -27.897
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -29.125
flat angles P-C4'-P energy: -20.129
tors. eta vs tors. theta energy: -44.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -467.196344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.196344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.196344 (E_RNA)
where:
Base-Base interactions energy: -338.260
where: short stacking energy: -144.992
Base-Backbone interact. energy: -0.254
local terms energy: -138.681810
where:
bonds (distance) C4'-P energy: -21.044
bonds (distance) P-C4' energy: -25.715
flat angles C4'-P-C4' energy: -28.676
flat angles P-C4'-P energy: -19.856
tors. eta vs tors. theta energy: -43.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -427.607107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.607107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.607107 (E_RNA)
where:
Base-Base interactions energy: -309.953
where: short stacking energy: -128.466
Base-Backbone interact. energy: -0.787
local terms energy: -126.866573
where:
bonds (distance) C4'-P energy: -17.120
bonds (distance) P-C4' energy: -25.136
flat angles C4'-P-C4' energy: -27.614
flat angles P-C4'-P energy: -17.441
tors. eta vs tors. theta energy: -39.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -419.813890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.813890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.813890 (E_RNA)
where:
Base-Base interactions energy: -296.313
where: short stacking energy: -130.308
Base-Backbone interact. energy: -0.880
local terms energy: -132.621564
where:
bonds (distance) C4'-P energy: -23.227
bonds (distance) P-C4' energy: -29.851
flat angles C4'-P-C4' energy: -27.067
flat angles P-C4'-P energy: -15.077
tors. eta vs tors. theta energy: -37.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -426.628506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.628506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.628506 (E_RNA)
where:
Base-Base interactions energy: -307.276
where: short stacking energy: -120.450
Base-Backbone interact. energy: -0.047
local terms energy: -129.306302
where:
bonds (distance) C4'-P energy: -19.337
bonds (distance) P-C4' energy: -23.714
flat angles C4'-P-C4' energy: -23.523
flat angles P-C4'-P energy: -25.273
tors. eta vs tors. theta energy: -37.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -232.291875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.291875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.291875 (E_RNA)
where:
Base-Base interactions energy: -150.274
where: short stacking energy: -83.880
Base-Backbone interact. energy: -0.909
local terms energy: -91.109157
where:
bonds (distance) C4'-P energy: -21.422
bonds (distance) P-C4' energy: -25.240
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -13.325
tors. eta vs tors. theta energy: -15.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -496.902021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.902021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.902021 (E_RNA)
where:
Base-Base interactions energy: -347.160
where: short stacking energy: -152.874
Base-Backbone interact. energy: -0.718
local terms energy: -159.024225
where:
bonds (distance) C4'-P energy: -30.179
bonds (distance) P-C4' energy: -28.488
flat angles C4'-P-C4' energy: -28.888
flat angles P-C4'-P energy: -25.589
tors. eta vs tors. theta energy: -45.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -492.411738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.411738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.411738 (E_RNA)
where:
Base-Base interactions energy: -349.781
where: short stacking energy: -152.945
Base-Backbone interact. energy: -0.026
local terms energy: -152.605220
where:
bonds (distance) C4'-P energy: -24.101
bonds (distance) P-C4' energy: -31.120
flat angles C4'-P-C4' energy: -27.946
flat angles P-C4'-P energy: -22.504
tors. eta vs tors. theta energy: -46.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -485.579638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.579638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.579638 (E_RNA)
where:
Base-Base interactions energy: -351.474
where: short stacking energy: -144.114
Base-Backbone interact. energy: -0.013
local terms energy: -144.092081
where:
bonds (distance) C4'-P energy: -24.242
bonds (distance) P-C4' energy: -24.705
flat angles C4'-P-C4' energy: -30.115
flat angles P-C4'-P energy: -20.517
tors. eta vs tors. theta energy: -44.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -477.750898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.750898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.750898 (E_RNA)
where:
Base-Base interactions energy: -342.273
where: short stacking energy: -142.178
Base-Backbone interact. energy: -0.005
local terms energy: -145.472168
where:
bonds (distance) C4'-P energy: -27.090
bonds (distance) P-C4' energy: -25.146
flat angles C4'-P-C4' energy: -26.004
flat angles P-C4'-P energy: -23.302
tors. eta vs tors. theta energy: -43.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -477.557132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.557132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.557132 (E_RNA)
where:
Base-Base interactions energy: -346.607
where: short stacking energy: -154.543
Base-Backbone interact. energy: -0.654
local terms energy: -140.295533
where:
bonds (distance) C4'-P energy: -23.700
bonds (distance) P-C4' energy: -27.896
flat angles C4'-P-C4' energy: -29.088
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -45.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -460.603584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.603584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.603584 (E_RNA)
where:
Base-Base interactions energy: -324.239
where: short stacking energy: -144.558
Base-Backbone interact. energy: -0.681
local terms energy: -145.683015
where:
bonds (distance) C4'-P energy: -26.433
bonds (distance) P-C4' energy: -24.002
flat angles C4'-P-C4' energy: -30.138
flat angles P-C4'-P energy: -21.689
tors. eta vs tors. theta energy: -43.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -452.983559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.983559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.983559 (E_RNA)
where:
Base-Base interactions energy: -327.765
where: short stacking energy: -130.130
Base-Backbone interact. energy: -0.578
local terms energy: -134.640360
where:
bonds (distance) C4'-P energy: -24.150
bonds (distance) P-C4' energy: -23.544
flat angles C4'-P-C4' energy: -25.640
flat angles P-C4'-P energy: -18.989
tors. eta vs tors. theta energy: -42.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -439.284739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.284739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.284739 (E_RNA)
where:
Base-Base interactions energy: -318.114
where: short stacking energy: -121.584
Base-Backbone interact. energy: -0.579
local terms energy: -130.591291
where:
bonds (distance) C4'-P energy: -28.557
bonds (distance) P-C4' energy: -25.486
flat angles C4'-P-C4' energy: -24.192
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -36.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -411.798382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.798382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.798382 (E_RNA)
where:
Base-Base interactions energy: -297.632
where: short stacking energy: -125.202
Base-Backbone interact. energy: -0.043
local terms energy: -124.123048
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -23.897
flat angles C4'-P-C4' energy: -26.401
flat angles P-C4'-P energy: -16.458
tors. eta vs tors. theta energy: -40.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -215.622511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.622511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.622511 (E_RNA)
where:
Base-Base interactions energy: -137.784
where: short stacking energy: -66.304
Base-Backbone interact. energy: -0.196
local terms energy: -87.642602
where:
bonds (distance) C4'-P energy: -17.222
bonds (distance) P-C4' energy: -22.973
flat angles C4'-P-C4' energy: -25.331
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -8.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -502.616259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.616259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.616259 (E_RNA)
where:
Base-Base interactions energy: -351.417
where: short stacking energy: -152.488
Base-Backbone interact. energy: -0.008
local terms energy: -161.190944
where:
bonds (distance) C4'-P energy: -29.007
bonds (distance) P-C4' energy: -30.231
flat angles C4'-P-C4' energy: -32.488
flat angles P-C4'-P energy: -21.554
tors. eta vs tors. theta energy: -47.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -487.130108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.130108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.130108 (E_RNA)
where:
Base-Base interactions energy: -342.106
where: short stacking energy: -142.318
Base-Backbone interact. energy: -0.347
local terms energy: -154.677197
where:
bonds (distance) C4'-P energy: -27.933
bonds (distance) P-C4' energy: -26.860
flat angles C4'-P-C4' energy: -30.649
flat angles P-C4'-P energy: -22.014
tors. eta vs tors. theta energy: -47.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -480.376091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.376091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.376091 (E_RNA)
where:
Base-Base interactions energy: -349.988
where: short stacking energy: -146.830
Base-Backbone interact. energy: -0.001
local terms energy: -140.387909
where:
bonds (distance) C4'-P energy: -23.554
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -32.805
flat angles P-C4'-P energy: -22.668
tors. eta vs tors. theta energy: -43.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -481.259515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.259515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.259515 (E_RNA)
where:
Base-Base interactions energy: -337.731
where: short stacking energy: -149.924
Base-Backbone interact. energy: -0.286
local terms energy: -153.242420
where:
bonds (distance) C4'-P energy: -32.223
bonds (distance) P-C4' energy: -21.598
flat angles C4'-P-C4' energy: -29.075
flat angles P-C4'-P energy: -22.947
tors. eta vs tors. theta energy: -47.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -473.782972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.782972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.782972 (E_RNA)
where:
Base-Base interactions energy: -343.233
where: short stacking energy: -142.438
Base-Backbone interact. energy: -0.073
local terms energy: -140.476916
where:
bonds (distance) C4'-P energy: -23.919
bonds (distance) P-C4' energy: -23.308
flat angles C4'-P-C4' energy: -27.757
flat angles P-C4'-P energy: -21.262
tors. eta vs tors. theta energy: -44.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -455.665033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.665033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.665033 (E_RNA)
where:
Base-Base interactions energy: -326.382
where: short stacking energy: -135.481
Base-Backbone interact. energy: -0.114
local terms energy: -139.169095
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -27.617
flat angles C4'-P-C4' energy: -29.797
flat angles P-C4'-P energy: -17.563
tors. eta vs tors. theta energy: -43.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -447.215364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.215364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.215364 (E_RNA)
where:
Base-Base interactions energy: -321.321
where: short stacking energy: -128.627
Base-Backbone interact. energy: -0.150
local terms energy: -135.744379
where:
bonds (distance) C4'-P energy: -25.868
bonds (distance) P-C4' energy: -24.492
flat angles C4'-P-C4' energy: -26.810
flat angles P-C4'-P energy: -17.514
tors. eta vs tors. theta energy: -41.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -435.117261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.117261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.117261 (E_RNA)
where:
Base-Base interactions energy: -316.306
where: short stacking energy: -136.195
Base-Backbone interact. energy: -0.952
local terms energy: -127.859143
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -21.674
flat angles C4'-P-C4' energy: -28.463
flat angles P-C4'-P energy: -16.079
tors. eta vs tors. theta energy: -43.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -437.530247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.530247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.530247 (E_RNA)
where:
Base-Base interactions energy: -312.777
where: short stacking energy: -126.390
Base-Backbone interact. energy: 1.467
local terms energy: -136.220272
where:
bonds (distance) C4'-P energy: -26.516
bonds (distance) P-C4' energy: -28.113
flat angles C4'-P-C4' energy: -26.543
flat angles P-C4'-P energy: -17.964
tors. eta vs tors. theta energy: -37.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -211.462205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.462205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.462205 (E_RNA)
where:
Base-Base interactions energy: -128.064
where: short stacking energy: -61.089
Base-Backbone interact. energy: -0.857
local terms energy: -92.541558
where:
bonds (distance) C4'-P energy: -27.745
bonds (distance) P-C4' energy: -27.353
flat angles C4'-P-C4' energy: -21.776
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -3.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -504.708804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.708804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.708804 (E_RNA)
where:
Base-Base interactions energy: -354.271
where: short stacking energy: -153.417
Base-Backbone interact. energy: -0.002
local terms energy: -160.435913
where:
bonds (distance) C4'-P energy: -28.296
bonds (distance) P-C4' energy: -29.219
flat angles C4'-P-C4' energy: -30.858
flat angles P-C4'-P energy: -23.582
tors. eta vs tors. theta energy: -48.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -490.248281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.248281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.248281 (E_RNA)
where:
Base-Base interactions energy: -347.756
where: short stacking energy: -143.834
Base-Backbone interact. energy: 0.820
local terms energy: -153.311998
where:
bonds (distance) C4'-P energy: -29.345
bonds (distance) P-C4' energy: -23.698
flat angles C4'-P-C4' energy: -28.764
flat angles P-C4'-P energy: -23.881
tors. eta vs tors. theta energy: -47.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -481.031622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.031622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.031622 (E_RNA)
where:
Base-Base interactions energy: -343.672
where: short stacking energy: -145.170
Base-Backbone interact. energy: -0.057
local terms energy: -147.303274
where:
bonds (distance) C4'-P energy: -22.213
bonds (distance) P-C4' energy: -21.578
flat angles C4'-P-C4' energy: -31.873
flat angles P-C4'-P energy: -26.040
tors. eta vs tors. theta energy: -45.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -461.269579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.269579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.269579 (E_RNA)
where:
Base-Base interactions energy: -325.302
where: short stacking energy: -145.946
Base-Backbone interact. energy: -0.168
local terms energy: -145.799846
where:
bonds (distance) C4'-P energy: -27.308
bonds (distance) P-C4' energy: -28.414
flat angles C4'-P-C4' energy: -30.472
flat angles P-C4'-P energy: -17.292
tors. eta vs tors. theta energy: -42.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -465.346681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.346681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.346681 (E_RNA)
where:
Base-Base interactions energy: -327.024
where: short stacking energy: -133.832
Base-Backbone interact. energy: -0.037
local terms energy: -148.285459
where:
bonds (distance) C4'-P energy: -29.586
bonds (distance) P-C4' energy: -25.855
flat angles C4'-P-C4' energy: -28.279
flat angles P-C4'-P energy: -21.222
tors. eta vs tors. theta energy: -43.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -472.045970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.045970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.045970 (E_RNA)
where:
Base-Base interactions energy: -338.879
where: short stacking energy: -146.121
Base-Backbone interact. energy: -0.874
local terms energy: -142.292754
where:
bonds (distance) C4'-P energy: -22.159
bonds (distance) P-C4' energy: -25.964
flat angles C4'-P-C4' energy: -31.369
flat angles P-C4'-P energy: -20.553
tors. eta vs tors. theta energy: -42.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -430.229936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.229936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.229936 (E_RNA)
where:
Base-Base interactions energy: -307.704
where: short stacking energy: -125.174
Base-Backbone interact. energy: -0.185
local terms energy: -132.341059
where:
bonds (distance) C4'-P energy: -20.280
bonds (distance) P-C4' energy: -24.040
flat angles C4'-P-C4' energy: -29.572
flat angles P-C4'-P energy: -21.393
tors. eta vs tors. theta energy: -37.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -427.042972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.042972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.042972 (E_RNA)
where:
Base-Base interactions energy: -311.020
where: short stacking energy: -134.730
Base-Backbone interact. energy: -1.394
local terms energy: -124.628604
where:
bonds (distance) C4'-P energy: -19.626
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -28.470
flat angles P-C4'-P energy: -18.308
tors. eta vs tors. theta energy: -38.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -402.229763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.229763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.229763 (E_RNA)
where:
Base-Base interactions energy: -288.281
where: short stacking energy: -119.690
Base-Backbone interact. energy: -0.003
local terms energy: -123.946467
where:
bonds (distance) C4'-P energy: -24.982
bonds (distance) P-C4' energy: -22.253
flat angles C4'-P-C4' energy: -24.376
flat angles P-C4'-P energy: -15.183
tors. eta vs tors. theta energy: -37.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -230.981554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.981554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.981554 (E_RNA)
where:
Base-Base interactions energy: -150.046
where: short stacking energy: -73.431
Base-Backbone interact. energy: -1.229
local terms energy: -89.706318
where:
bonds (distance) C4'-P energy: -19.577
bonds (distance) P-C4' energy: -20.539
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -19.589
tors. eta vs tors. theta energy: -11.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -500.351107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.351107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.351107 (E_RNA)
where:
Base-Base interactions energy: -354.792
where: short stacking energy: -149.592
Base-Backbone interact. energy: -0.524
local terms energy: -155.034642
where:
bonds (distance) C4'-P energy: -28.088
bonds (distance) P-C4' energy: -26.144
flat angles C4'-P-C4' energy: -28.794
flat angles P-C4'-P energy: -24.861
tors. eta vs tors. theta energy: -47.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -493.510973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.510973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.510973 (E_RNA)
where:
Base-Base interactions energy: -346.365
where: short stacking energy: -141.202
Base-Backbone interact. energy: -0.183
local terms energy: -156.962844
where:
bonds (distance) C4'-P energy: -30.207
bonds (distance) P-C4' energy: -27.745
flat angles C4'-P-C4' energy: -32.418
flat angles P-C4'-P energy: -22.467
tors. eta vs tors. theta energy: -44.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -476.171737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.171737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.171737 (E_RNA)
where:
Base-Base interactions energy: -341.455
where: short stacking energy: -141.662
Base-Backbone interact. energy: -0.046
local terms energy: -144.670214
where:
bonds (distance) C4'-P energy: -23.981
bonds (distance) P-C4' energy: -27.272
flat angles C4'-P-C4' energy: -29.008
flat angles P-C4'-P energy: -23.956
tors. eta vs tors. theta energy: -40.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -469.401660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.401660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.401660 (E_RNA)
where:
Base-Base interactions energy: -334.810
where: short stacking energy: -142.280
Base-Backbone interact. energy: -0.007
local terms energy: -144.584416
where:
bonds (distance) C4'-P energy: -29.434
bonds (distance) P-C4' energy: -28.255
flat angles C4'-P-C4' energy: -21.087
flat angles P-C4'-P energy: -20.423
tors. eta vs tors. theta energy: -45.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -463.657524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.657524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.657524 (E_RNA)
where:
Base-Base interactions energy: -335.806
where: short stacking energy: -142.850
Base-Backbone interact. energy: -0.131
local terms energy: -137.721244
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -26.089
flat angles C4'-P-C4' energy: -29.093
flat angles P-C4'-P energy: -21.036
tors. eta vs tors. theta energy: -44.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -444.788443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.788443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.788443 (E_RNA)
where:
Base-Base interactions energy: -317.128
where: short stacking energy: -122.109
Base-Backbone interact. energy: -0.154
local terms energy: -137.506340
where:
bonds (distance) C4'-P energy: -23.141
bonds (distance) P-C4' energy: -23.524
flat angles C4'-P-C4' energy: -30.144
flat angles P-C4'-P energy: -23.026
tors. eta vs tors. theta energy: -37.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -450.441690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.441690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.441690 (E_RNA)
where:
Base-Base interactions energy: -328.601
where: short stacking energy: -133.878
Base-Backbone interact. energy: -0.141
local terms energy: -131.699413
where:
bonds (distance) C4'-P energy: -21.008
bonds (distance) P-C4' energy: -24.413
flat angles C4'-P-C4' energy: -31.739
flat angles P-C4'-P energy: -18.043
tors. eta vs tors. theta energy: -36.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -438.500504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.500504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.500504 (E_RNA)
where:
Base-Base interactions energy: -304.971
where: short stacking energy: -127.576
Base-Backbone interact. energy: -0.008
local terms energy: -143.520812
where:
bonds (distance) C4'-P energy: -24.816
bonds (distance) P-C4' energy: -29.422
flat angles C4'-P-C4' energy: -29.117
flat angles P-C4'-P energy: -17.256
tors. eta vs tors. theta energy: -42.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -415.833661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.833661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.833661 (E_RNA)
where:
Base-Base interactions energy: -291.295
where: short stacking energy: -117.994
Base-Backbone interact. energy: -0.017
local terms energy: -134.522249
where:
bonds (distance) C4'-P energy: -25.761
bonds (distance) P-C4' energy: -26.829
flat angles C4'-P-C4' energy: -24.110
flat angles P-C4'-P energy: -23.457
tors. eta vs tors. theta energy: -34.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -229.909466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.909466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.909466 (E_RNA)
where:
Base-Base interactions energy: -163.965
where: short stacking energy: -68.170
Base-Backbone interact. energy: -0.328
local terms energy: -75.616826
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -23.270
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -7.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -487.700246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.700246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.700246 (E_RNA)
where:
Base-Base interactions energy: -348.657
where: short stacking energy: -145.948
Base-Backbone interact. energy: -0.002
local terms energy: -149.041691
where:
bonds (distance) C4'-P energy: -27.120
bonds (distance) P-C4' energy: -25.216
flat angles C4'-P-C4' energy: -29.522
flat angles P-C4'-P energy: -24.856
tors. eta vs tors. theta energy: -42.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -490.145534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.145534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.145534 (E_RNA)
where:
Base-Base interactions energy: -344.804
where: short stacking energy: -136.939
Base-Backbone interact. energy: -0.601
local terms energy: -154.740784
where:
bonds (distance) C4'-P energy: -28.810
bonds (distance) P-C4' energy: -25.903
flat angles C4'-P-C4' energy: -30.964
flat angles P-C4'-P energy: -22.905
tors. eta vs tors. theta energy: -46.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -479.143807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.143807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.143807 (E_RNA)
where:
Base-Base interactions energy: -338.412
where: short stacking energy: -143.875
Base-Backbone interact. energy: -0.300
local terms energy: -150.432410
where:
bonds (distance) C4'-P energy: -26.700
bonds (distance) P-C4' energy: -25.282
flat angles C4'-P-C4' energy: -31.931
flat angles P-C4'-P energy: -23.001
tors. eta vs tors. theta energy: -43.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -482.221546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.221546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.221546 (E_RNA)
where:
Base-Base interactions energy: -342.588
where: short stacking energy: -150.491
Base-Backbone interact. energy: -0.301
local terms energy: -149.332996
where:
bonds (distance) C4'-P energy: -25.546
bonds (distance) P-C4' energy: -27.916
flat angles C4'-P-C4' energy: -30.186
flat angles P-C4'-P energy: -20.041
tors. eta vs tors. theta energy: -45.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -459.637806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.637806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.637806 (E_RNA)
where:
Base-Base interactions energy: -333.397
where: short stacking energy: -142.921
Base-Backbone interact. energy: -1.723
local terms energy: -134.517685
where:
bonds (distance) C4'-P energy: -28.845
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -27.333
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -43.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -438.060660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.060660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.060660 (E_RNA)
where:
Base-Base interactions energy: -306.502
where: short stacking energy: -128.280
Base-Backbone interact. energy: -0.803
local terms energy: -140.755841
where:
bonds (distance) C4'-P energy: -29.918
bonds (distance) P-C4' energy: -23.001
flat angles C4'-P-C4' energy: -26.879
flat angles P-C4'-P energy: -20.407
tors. eta vs tors. theta energy: -40.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -438.682440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.682440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.682440 (E_RNA)
where:
Base-Base interactions energy: -319.723
where: short stacking energy: -126.860
Base-Backbone interact. energy: -1.205
local terms energy: -127.754993
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -27.664
flat angles C4'-P-C4' energy: -25.534
flat angles P-C4'-P energy: -23.492
tors. eta vs tors. theta energy: -39.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -446.829737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.829737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.829737 (E_RNA)
where:
Base-Base interactions energy: -320.922
where: short stacking energy: -129.712
Base-Backbone interact. energy: -0.169
local terms energy: -135.739553
where:
bonds (distance) C4'-P energy: -25.377
bonds (distance) P-C4' energy: -27.083
flat angles C4'-P-C4' energy: -24.852
flat angles P-C4'-P energy: -18.873
tors. eta vs tors. theta energy: -39.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -414.946447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.946447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.946447 (E_RNA)
where:
Base-Base interactions energy: -301.410
where: short stacking energy: -120.242
Base-Backbone interact. energy: -0.097
local terms energy: -123.439400
where:
bonds (distance) C4'-P energy: -21.338
bonds (distance) P-C4' energy: -22.940
flat angles C4'-P-C4' energy: -26.436
flat angles P-C4'-P energy: -18.914
tors. eta vs tors. theta energy: -33.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -213.736754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.736754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.736754 (E_RNA)
where:
Base-Base interactions energy: -126.301
where: short stacking energy: -61.102
Base-Backbone interact. energy: -0.248
local terms energy: -97.187649
where:
bonds (distance) C4'-P energy: -21.105
bonds (distance) P-C4' energy: -31.300
flat angles C4'-P-C4' energy: -26.065
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -8.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -504.459731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.459731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.459731 (E_RNA)
where:
Base-Base interactions energy: -354.315
where: short stacking energy: -153.757
Base-Backbone interact. energy: -0.148
local terms energy: -159.996464
where:
bonds (distance) C4'-P energy: -25.987
bonds (distance) P-C4' energy: -29.474
flat angles C4'-P-C4' energy: -33.260
flat angles P-C4'-P energy: -25.727
tors. eta vs tors. theta energy: -45.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -487.702460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.702460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.702460 (E_RNA)
where:
Base-Base interactions energy: -341.485
where: short stacking energy: -152.916
Base-Backbone interact. energy: -0.261
local terms energy: -155.956270
where:
bonds (distance) C4'-P energy: -27.365
bonds (distance) P-C4' energy: -28.070
flat angles C4'-P-C4' energy: -32.507
flat angles P-C4'-P energy: -22.311
tors. eta vs tors. theta energy: -45.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -484.545740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.545740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.545740 (E_RNA)
where:
Base-Base interactions energy: -340.849
where: short stacking energy: -146.274
Base-Backbone interact. energy: -0.019
local terms energy: -153.677944
where:
bonds (distance) C4'-P energy: -32.422
bonds (distance) P-C4' energy: -27.177
flat angles C4'-P-C4' energy: -30.542
flat angles P-C4'-P energy: -17.023
tors. eta vs tors. theta energy: -46.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -471.967176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.967176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.967176 (E_RNA)
where:
Base-Base interactions energy: -343.679
where: short stacking energy: -149.215
Base-Backbone interact. energy: 0.891
local terms energy: -139.179892
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -27.517
flat angles C4'-P-C4' energy: -28.586
flat angles P-C4'-P energy: -23.819
tors. eta vs tors. theta energy: -39.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -469.098126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.098126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.098126 (E_RNA)
where:
Base-Base interactions energy: -338.283
where: short stacking energy: -139.424
Base-Backbone interact. energy: -0.165
local terms energy: -140.649715
where:
bonds (distance) C4'-P energy: -24.889
bonds (distance) P-C4' energy: -22.278
flat angles C4'-P-C4' energy: -26.601
flat angles P-C4'-P energy: -22.729
tors. eta vs tors. theta energy: -44.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -435.921600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.921600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.921600 (E_RNA)
where:
Base-Base interactions energy: -310.910
where: short stacking energy: -131.901
Base-Backbone interact. energy: -0.093
local terms energy: -134.918941
where:
bonds (distance) C4'-P energy: -22.478
bonds (distance) P-C4' energy: -27.050
flat angles C4'-P-C4' energy: -27.226
flat angles P-C4'-P energy: -19.806
tors. eta vs tors. theta energy: -38.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -455.619087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.619087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.619087 (E_RNA)
where:
Base-Base interactions energy: -334.247
where: short stacking energy: -134.835
Base-Backbone interact. energy: -0.103
local terms energy: -131.268582
where:
bonds (distance) C4'-P energy: -27.242
bonds (distance) P-C4' energy: -20.996
flat angles C4'-P-C4' energy: -27.746
flat angles P-C4'-P energy: -14.995
tors. eta vs tors. theta energy: -40.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -430.314304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.314304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.314304 (E_RNA)
where:
Base-Base interactions energy: -324.231
where: short stacking energy: -142.671
Base-Backbone interact. energy: -0.248
local terms energy: -115.834875
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -20.513
flat angles C4'-P-C4' energy: -27.103
flat angles P-C4'-P energy: -15.112
tors. eta vs tors. theta energy: -40.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -410.884170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.884170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.884170 (E_RNA)
where:
Base-Base interactions energy: -304.573
where: short stacking energy: -124.619
Base-Backbone interact. energy: -0.845
local terms energy: -115.466422
where:
bonds (distance) C4'-P energy: -23.337
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -24.513
flat angles P-C4'-P energy: -16.297
tors. eta vs tors. theta energy: -34.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -233.634717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.634717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.634717 (E_RNA)
where:
Base-Base interactions energy: -160.143
where: short stacking energy: -74.064
Base-Backbone interact. energy: 0.603
local terms energy: -84.095152
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -19.193
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -501.595709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.595709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.595709 (E_RNA)
where:
Base-Base interactions energy: -355.453
where: short stacking energy: -152.503
Base-Backbone interact. energy: -0.172
local terms energy: -155.970533
where:
bonds (distance) C4'-P energy: -26.354
bonds (distance) P-C4' energy: -28.880
flat angles C4'-P-C4' energy: -32.514
flat angles P-C4'-P energy: -23.930
tors. eta vs tors. theta energy: -44.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -462.250319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.250319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.250319 (E_RNA)
where:
Base-Base interactions energy: -327.849
where: short stacking energy: -151.397
Base-Backbone interact. energy: -0.046
local terms energy: -144.355830
where:
bonds (distance) C4'-P energy: -24.219
bonds (distance) P-C4' energy: -28.219
flat angles C4'-P-C4' energy: -31.091
flat angles P-C4'-P energy: -18.928
tors. eta vs tors. theta energy: -41.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -484.411678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.411678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.411678 (E_RNA)
where:
Base-Base interactions energy: -347.058
where: short stacking energy: -149.702
Base-Backbone interact. energy: -0.102
local terms energy: -147.251588
where:
bonds (distance) C4'-P energy: -27.044
bonds (distance) P-C4' energy: -29.243
flat angles C4'-P-C4' energy: -29.023
flat angles P-C4'-P energy: -17.046
tors. eta vs tors. theta energy: -44.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -459.422834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.422834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.422834 (E_RNA)
where:
Base-Base interactions energy: -327.928
where: short stacking energy: -141.564
Base-Backbone interact. energy: -0.092
local terms energy: -141.403284
where:
bonds (distance) C4'-P energy: -25.783
bonds (distance) P-C4' energy: -26.275
flat angles C4'-P-C4' energy: -32.255
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -43.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -462.906177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.906177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.906177 (E_RNA)
where:
Base-Base interactions energy: -335.070
where: short stacking energy: -138.827
Base-Backbone interact. energy: -0.258
local terms energy: -137.578687
where:
bonds (distance) C4'-P energy: -24.053
bonds (distance) P-C4' energy: -24.891
flat angles C4'-P-C4' energy: -27.326
flat angles P-C4'-P energy: -18.423
tors. eta vs tors. theta energy: -42.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -461.661523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.661523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.661523 (E_RNA)
where:
Base-Base interactions energy: -333.815
where: short stacking energy: -146.633
Base-Backbone interact. energy: -0.285
local terms energy: -137.561345
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -29.332
flat angles P-C4'-P energy: -26.238
tors. eta vs tors. theta energy: -43.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -434.479760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.479760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.479760 (E_RNA)
where:
Base-Base interactions energy: -316.532
where: short stacking energy: -134.119
Base-Backbone interact. energy: -0.148
local terms energy: -127.799382
where:
bonds (distance) C4'-P energy: -22.321
bonds (distance) P-C4' energy: -26.550
flat angles C4'-P-C4' energy: -24.487
flat angles P-C4'-P energy: -16.208
tors. eta vs tors. theta energy: -38.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -423.491756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.491756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.491756 (E_RNA)
where:
Base-Base interactions energy: -309.962
where: short stacking energy: -133.937
Base-Backbone interact. energy: -0.801
local terms energy: -122.729305
where:
bonds (distance) C4'-P energy: -19.531
bonds (distance) P-C4' energy: -23.496
flat angles C4'-P-C4' energy: -22.115
flat angles P-C4'-P energy: -15.388
tors. eta vs tors. theta energy: -42.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -424.720698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.720698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.720698 (E_RNA)
where:
Base-Base interactions energy: -318.402
where: short stacking energy: -136.133
Base-Backbone interact. energy: 0.187
local terms energy: -116.505567
where:
bonds (distance) C4'-P energy: -22.825
bonds (distance) P-C4' energy: -21.398
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -35.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -223.853741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.853741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.853741 (E_RNA)
where:
Base-Base interactions energy: -146.189
where: short stacking energy: -77.862
Base-Backbone interact. energy: -0.106
local terms energy: -87.558992
where:
bonds (distance) C4'-P energy: -23.790
bonds (distance) P-C4' energy: -20.861
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -19.854
tors. eta vs tors. theta energy: -7.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -498.445794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.445794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.445794 (E_RNA)
where:
Base-Base interactions energy: -358.372
where: short stacking energy: -150.766
Base-Backbone interact. energy: -0.098
local terms energy: -149.975729
where:
bonds (distance) C4'-P energy: -29.096
bonds (distance) P-C4' energy: -23.005
flat angles C4'-P-C4' energy: -32.920
flat angles P-C4'-P energy: -20.573
tors. eta vs tors. theta energy: -44.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -497.812023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.812023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.812023 (E_RNA)
where:
Base-Base interactions energy: -360.082
where: short stacking energy: -154.096
Base-Backbone interact. energy: -0.050
local terms energy: -147.680325
where:
bonds (distance) C4'-P energy: -27.272
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -32.470
flat angles P-C4'-P energy: -21.844
tors. eta vs tors. theta energy: -47.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -486.429374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.429374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.429374 (E_RNA)
where:
Base-Base interactions energy: -345.282
where: short stacking energy: -148.733
Base-Backbone interact. energy: -0.028
local terms energy: -151.119414
where:
bonds (distance) C4'-P energy: -24.180
bonds (distance) P-C4' energy: -26.605
flat angles C4'-P-C4' energy: -32.910
flat angles P-C4'-P energy: -23.710
tors. eta vs tors. theta energy: -43.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -469.515085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.515085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.515085 (E_RNA)
where:
Base-Base interactions energy: -335.501
where: short stacking energy: -146.004
Base-Backbone interact. energy: -1.191
local terms energy: -142.822948
where:
bonds (distance) C4'-P energy: -26.675
bonds (distance) P-C4' energy: -24.296
flat angles C4'-P-C4' energy: -28.004
flat angles P-C4'-P energy: -20.843
tors. eta vs tors. theta energy: -43.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -457.893555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.893555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.893555 (E_RNA)
where:
Base-Base interactions energy: -342.171
where: short stacking energy: -136.988
Base-Backbone interact. energy: -0.203
local terms energy: -125.519849
where:
bonds (distance) C4'-P energy: -19.971
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -23.579
flat angles P-C4'-P energy: -24.011
tors. eta vs tors. theta energy: -35.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -475.054448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.054448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.054448 (E_RNA)
where:
Base-Base interactions energy: -342.186
where: short stacking energy: -143.126
Base-Backbone interact. energy: -0.413
local terms energy: -142.455469
where:
bonds (distance) C4'-P energy: -23.500
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -28.862
flat angles P-C4'-P energy: -25.258
tors. eta vs tors. theta energy: -44.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -426.642146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.642146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.642146 (E_RNA)
where:
Base-Base interactions energy: -314.732
where: short stacking energy: -129.424
Base-Backbone interact. energy: -0.127
local terms energy: -121.782467
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -19.025
flat angles C4'-P-C4' energy: -29.967
flat angles P-C4'-P energy: -18.773
tors. eta vs tors. theta energy: -38.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -446.947695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.947695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.947695 (E_RNA)
where:
Base-Base interactions energy: -317.878
where: short stacking energy: -128.192
Base-Backbone interact. energy: -0.004
local terms energy: -139.065978
where:
bonds (distance) C4'-P energy: -23.934
bonds (distance) P-C4' energy: -24.653
flat angles C4'-P-C4' energy: -24.935
flat angles P-C4'-P energy: -23.219
tors. eta vs tors. theta energy: -42.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -425.360079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.360079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.360079 (E_RNA)
where:
Base-Base interactions energy: -307.420
where: short stacking energy: -125.907
Base-Backbone interact. energy: -0.765
local terms energy: -127.174390
where:
bonds (distance) C4'-P energy: -17.970
bonds (distance) P-C4' energy: -24.911
flat angles C4'-P-C4' energy: -29.014
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -41.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -222.521981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.521981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.521981 (E_RNA)
where:
Base-Base interactions energy: -132.033
where: short stacking energy: -63.014
Base-Backbone interact. energy: 0.213
local terms energy: -100.702105
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -23.822
flat angles C4'-P-C4' energy: -23.697
flat angles P-C4'-P energy: -21.419
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -496.831755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.831755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.831755 (E_RNA)
where:
Base-Base interactions energy: -351.510
where: short stacking energy: -146.666
Base-Backbone interact. energy: -0.096
local terms energy: -155.225974
where:
bonds (distance) C4'-P energy: -26.765
bonds (distance) P-C4' energy: -31.623
flat angles C4'-P-C4' energy: -32.003
flat angles P-C4'-P energy: -20.514
tors. eta vs tors. theta energy: -44.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -493.127456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.127456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.127456 (E_RNA)
where:
Base-Base interactions energy: -355.861
where: short stacking energy: -151.134
Base-Backbone interact. energy: -0.530
local terms energy: -146.736392
where:
bonds (distance) C4'-P energy: -27.280
bonds (distance) P-C4' energy: -27.535
flat angles C4'-P-C4' energy: -28.616
flat angles P-C4'-P energy: -20.025
tors. eta vs tors. theta energy: -43.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -488.929553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.929553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.929553 (E_RNA)
where:
Base-Base interactions energy: -345.932
where: short stacking energy: -147.200
Base-Backbone interact. energy: -0.137
local terms energy: -152.860994
where:
bonds (distance) C4'-P energy: -25.459
bonds (distance) P-C4' energy: -26.623
flat angles C4'-P-C4' energy: -32.720
flat angles P-C4'-P energy: -22.828
tors. eta vs tors. theta energy: -45.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -468.550940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.550940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.550940 (E_RNA)
where:
Base-Base interactions energy: -355.552
where: short stacking energy: -147.452
Base-Backbone interact. energy: -0.204
local terms energy: -122.795139
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -20.706
flat angles C4'-P-C4' energy: -29.515
flat angles P-C4'-P energy: -17.446
tors. eta vs tors. theta energy: -40.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -445.471532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.471532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.471532 (E_RNA)
where:
Base-Base interactions energy: -323.563
where: short stacking energy: -135.119
Base-Backbone interact. energy: -0.129
local terms energy: -131.779586
where:
bonds (distance) C4'-P energy: -26.104
bonds (distance) P-C4' energy: -20.723
flat angles C4'-P-C4' energy: -24.753
flat angles P-C4'-P energy: -20.036
tors. eta vs tors. theta energy: -40.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -443.450842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.450842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.450842 (E_RNA)
where:
Base-Base interactions energy: -318.955
where: short stacking energy: -129.936
Base-Backbone interact. energy: -0.094
local terms energy: -134.401037
where:
bonds (distance) C4'-P energy: -28.013
bonds (distance) P-C4' energy: -23.854
flat angles C4'-P-C4' energy: -25.911
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -40.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -466.347684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.347684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.347684 (E_RNA)
where:
Base-Base interactions energy: -326.241
where: short stacking energy: -140.235
Base-Backbone interact. energy: -0.605
local terms energy: -149.501992
where:
bonds (distance) C4'-P energy: -24.130
bonds (distance) P-C4' energy: -25.103
flat angles C4'-P-C4' energy: -33.294
flat angles P-C4'-P energy: -21.823
tors. eta vs tors. theta energy: -45.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -415.343742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.343742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.343742 (E_RNA)
where:
Base-Base interactions energy: -304.546
where: short stacking energy: -123.550
Base-Backbone interact. energy: 0.109
local terms energy: -120.906467
where:
bonds (distance) C4'-P energy: -17.990
bonds (distance) P-C4' energy: -23.651
flat angles C4'-P-C4' energy: -22.154
flat angles P-C4'-P energy: -20.878
tors. eta vs tors. theta energy: -36.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -426.232276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.232276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.232276 (E_RNA)
where:
Base-Base interactions energy: -311.432
where: short stacking energy: -138.013
Base-Backbone interact. energy: -0.602
local terms energy: -124.197933
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -25.612
flat angles C4'-P-C4' energy: -30.594
flat angles P-C4'-P energy: -14.293
tors. eta vs tors. theta energy: -38.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -213.136226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.136226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.136226 (E_RNA)
where:
Base-Base interactions energy: -137.817
where: short stacking energy: -59.833
Base-Backbone interact. energy: -0.441
local terms energy: -84.878725
where:
bonds (distance) C4'-P energy: -21.795
bonds (distance) P-C4' energy: -27.308
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -17.895
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -513.710957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.710957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.710957 (E_RNA)
where:
Base-Base interactions energy: -360.031
where: short stacking energy: -157.077
Base-Backbone interact. energy: -0.046
local terms energy: -163.633617
where:
bonds (distance) C4'-P energy: -30.209
bonds (distance) P-C4' energy: -30.389
flat angles C4'-P-C4' energy: -33.234
flat angles P-C4'-P energy: -21.584
tors. eta vs tors. theta energy: -48.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -489.867582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.867582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.867582 (E_RNA)
where:
Base-Base interactions energy: -345.414
where: short stacking energy: -147.198
Base-Backbone interact. energy: -0.329
local terms energy: -154.125218
where:
bonds (distance) C4'-P energy: -26.366
bonds (distance) P-C4' energy: -27.672
flat angles C4'-P-C4' energy: -31.289
flat angles P-C4'-P energy: -21.067
tors. eta vs tors. theta energy: -47.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -478.481108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.481108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.481108 (E_RNA)
where:
Base-Base interactions energy: -348.649
where: short stacking energy: -144.497
Base-Backbone interact. energy: -0.082
local terms energy: -139.750525
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -24.000
flat angles C4'-P-C4' energy: -30.403
flat angles P-C4'-P energy: -20.969
tors. eta vs tors. theta energy: -45.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -475.668564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.668564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.668564 (E_RNA)
where:
Base-Base interactions energy: -335.520
where: short stacking energy: -139.303
Base-Backbone interact. energy: -0.427
local terms energy: -149.721846
where:
bonds (distance) C4'-P energy: -24.693
bonds (distance) P-C4' energy: -27.209
flat angles C4'-P-C4' energy: -29.878
flat angles P-C4'-P energy: -23.165
tors. eta vs tors. theta energy: -44.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -445.102842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.102842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.102842 (E_RNA)
where:
Base-Base interactions energy: -312.018
where: short stacking energy: -133.213
Base-Backbone interact. energy: -0.361
local terms energy: -142.724317
where:
bonds (distance) C4'-P energy: -24.463
bonds (distance) P-C4' energy: -27.390
flat angles C4'-P-C4' energy: -28.835
flat angles P-C4'-P energy: -19.445
tors. eta vs tors. theta energy: -42.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -441.094855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.094855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.094855 (E_RNA)
where:
Base-Base interactions energy: -317.318
where: short stacking energy: -134.468
Base-Backbone interact. energy: -0.567
local terms energy: -133.209910
where:
bonds (distance) C4'-P energy: -23.906
bonds (distance) P-C4' energy: -24.788
flat angles C4'-P-C4' energy: -29.319
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -37.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -441.421511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.421511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.421511 (E_RNA)
where:
Base-Base interactions energy: -308.685
where: short stacking energy: -123.631
Base-Backbone interact. energy: -0.020
local terms energy: -142.715722
where:
bonds (distance) C4'-P energy: -22.643
bonds (distance) P-C4' energy: -25.175
flat angles C4'-P-C4' energy: -29.875
flat angles P-C4'-P energy: -23.642
tors. eta vs tors. theta energy: -41.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -441.190935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.190935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.190935 (E_RNA)
where:
Base-Base interactions energy: -311.958
where: short stacking energy: -136.585
Base-Backbone interact. energy: -0.018
local terms energy: -139.214134
where:
bonds (distance) C4'-P energy: -28.961
bonds (distance) P-C4' energy: -22.323
flat angles C4'-P-C4' energy: -27.488
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -46.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -406.441882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.441882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.441882 (E_RNA)
where:
Base-Base interactions energy: -298.329
where: short stacking energy: -124.850
Base-Backbone interact. energy: 0.147
local terms energy: -118.260078
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -22.572
flat angles C4'-P-C4' energy: -25.748
flat angles P-C4'-P energy: -14.740
tors. eta vs tors. theta energy: -37.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -232.184076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.184076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.184076 (E_RNA)
where:
Base-Base interactions energy: -140.382
where: short stacking energy: -75.796
Base-Backbone interact. energy: 1.177
local terms energy: -102.978823
where:
bonds (distance) C4'-P energy: -29.269
bonds (distance) P-C4' energy: -28.318
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -14.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -489.740312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.740312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.740312 (E_RNA)
where:
Base-Base interactions energy: -351.859
where: short stacking energy: -155.963
Base-Backbone interact. energy: -0.941
local terms energy: -146.939749
where:
bonds (distance) C4'-P energy: -26.420
bonds (distance) P-C4' energy: -26.599
flat angles C4'-P-C4' energy: -30.840
flat angles P-C4'-P energy: -17.037
tors. eta vs tors. theta energy: -46.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -490.556664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.556664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.556664 (E_RNA)
where:
Base-Base interactions energy: -349.872
where: short stacking energy: -154.295
Base-Backbone interact. energy: -0.563
local terms energy: -150.121656
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -26.172
flat angles C4'-P-C4' energy: -31.374
flat angles P-C4'-P energy: -20.397
tors. eta vs tors. theta energy: -48.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -480.334939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.334939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.334939 (E_RNA)
where:
Base-Base interactions energy: -342.822
where: short stacking energy: -143.542
Base-Backbone interact. energy: -0.425
local terms energy: -147.088190
where:
bonds (distance) C4'-P energy: -25.279
bonds (distance) P-C4' energy: -32.743
flat angles C4'-P-C4' energy: -30.680
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -43.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -478.849629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.849629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.849629 (E_RNA)
where:
Base-Base interactions energy: -338.121
where: short stacking energy: -138.016
Base-Backbone interact. energy: -0.111
local terms energy: -150.617371
where:
bonds (distance) C4'-P energy: -23.749
bonds (distance) P-C4' energy: -30.657
flat angles C4'-P-C4' energy: -29.612
flat angles P-C4'-P energy: -21.042
tors. eta vs tors. theta energy: -45.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -454.445661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.445661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.445661 (E_RNA)
where:
Base-Base interactions energy: -322.086
where: short stacking energy: -129.181
Base-Backbone interact. energy: -0.292
local terms energy: -142.067374
where:
bonds (distance) C4'-P energy: -27.354
bonds (distance) P-C4' energy: -21.879
flat angles C4'-P-C4' energy: -31.510
flat angles P-C4'-P energy: -22.931
tors. eta vs tors. theta energy: -38.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -454.560604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.560604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.560604 (E_RNA)
where:
Base-Base interactions energy: -333.041
where: short stacking energy: -132.860
Base-Backbone interact. energy: -1.151
local terms energy: -130.368765
where:
bonds (distance) C4'-P energy: -23.831
bonds (distance) P-C4' energy: -22.766
flat angles C4'-P-C4' energy: -28.856
flat angles P-C4'-P energy: -18.143
tors. eta vs tors. theta energy: -36.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -446.444165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.444165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.444165 (E_RNA)
where:
Base-Base interactions energy: -331.411
where: short stacking energy: -137.261
Base-Backbone interact. energy: -0.011
local terms energy: -125.022524
where:
bonds (distance) C4'-P energy: -19.357
bonds (distance) P-C4' energy: -23.156
flat angles C4'-P-C4' energy: -25.478
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -42.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -414.361583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.361583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.361583 (E_RNA)
where:
Base-Base interactions energy: -297.201
where: short stacking energy: -127.591
Base-Backbone interact. energy: -0.179
local terms energy: -126.981615
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -21.164
flat angles C4'-P-C4' energy: -22.961
flat angles P-C4'-P energy: -20.113
tors. eta vs tors. theta energy: -43.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -406.630667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.630667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.630667 (E_RNA)
where:
Base-Base interactions energy: -290.251
where: short stacking energy: -120.699
Base-Backbone interact. energy: -0.178
local terms energy: -126.202001
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -21.924
flat angles C4'-P-C4' energy: -31.876
flat angles P-C4'-P energy: -20.949
tors. eta vs tors. theta energy: -34.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -239.210636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.210636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.210636 (E_RNA)
where:
Base-Base interactions energy: -143.128
where: short stacking energy: -75.582
Base-Backbone interact. energy: 0.391
local terms energy: -106.473827
where:
bonds (distance) C4'-P energy: -27.915
bonds (distance) P-C4' energy: -24.486
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -14.872
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -493.760434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.760434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.760434 (E_RNA)
where:
Base-Base interactions energy: -351.138
where: short stacking energy: -140.744
Base-Backbone interact. energy: -0.010
local terms energy: -152.613173
where:
bonds (distance) C4'-P energy: -28.644
bonds (distance) P-C4' energy: -29.176
flat angles C4'-P-C4' energy: -28.710
flat angles P-C4'-P energy: -25.605
tors. eta vs tors. theta energy: -40.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -484.124832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.124832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.124832 (E_RNA)
where:
Base-Base interactions energy: -345.645
where: short stacking energy: -142.904
Base-Backbone interact. energy: -0.004
local terms energy: -148.476519
where:
bonds (distance) C4'-P energy: -22.965
bonds (distance) P-C4' energy: -27.285
flat angles C4'-P-C4' energy: -32.031
flat angles P-C4'-P energy: -21.825
tors. eta vs tors. theta energy: -44.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -485.382537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.382537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.382537 (E_RNA)
where:
Base-Base interactions energy: -343.537
where: short stacking energy: -151.110
Base-Backbone interact. energy: -0.006
local terms energy: -151.839188
where:
bonds (distance) C4'-P energy: -26.200
bonds (distance) P-C4' energy: -27.911
flat angles C4'-P-C4' energy: -33.242
flat angles P-C4'-P energy: -18.039
tors. eta vs tors. theta energy: -46.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -481.742000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.742000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.742000 (E_RNA)
where:
Base-Base interactions energy: -342.798
where: short stacking energy: -136.950
Base-Backbone interact. energy: -0.020
local terms energy: -148.924148
where:
bonds (distance) C4'-P energy: -27.513
bonds (distance) P-C4' energy: -30.862
flat angles C4'-P-C4' energy: -26.801
flat angles P-C4'-P energy: -25.308
tors. eta vs tors. theta energy: -38.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -469.557076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.557076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.557076 (E_RNA)
where:
Base-Base interactions energy: -343.238
where: short stacking energy: -145.840
Base-Backbone interact. energy: -0.902
local terms energy: -135.417049
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -24.861
flat angles C4'-P-C4' energy: -27.099
flat angles P-C4'-P energy: -23.378
tors. eta vs tors. theta energy: -43.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -458.487320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.487320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.487320 (E_RNA)
where:
Base-Base interactions energy: -331.034
where: short stacking energy: -141.578
Base-Backbone interact. energy: -0.330
local terms energy: -137.123496
where:
bonds (distance) C4'-P energy: -21.794
bonds (distance) P-C4' energy: -25.117
flat angles C4'-P-C4' energy: -31.846
flat angles P-C4'-P energy: -15.448
tors. eta vs tors. theta energy: -42.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -434.506241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.506241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.506241 (E_RNA)
where:
Base-Base interactions energy: -319.582
where: short stacking energy: -123.213
Base-Backbone interact. energy: 0.544
local terms energy: -125.467744
where:
bonds (distance) C4'-P energy: -22.196
bonds (distance) P-C4' energy: -23.661
flat angles C4'-P-C4' energy: -24.139
flat angles P-C4'-P energy: -18.536
tors. eta vs tors. theta energy: -36.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -424.443702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.443702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.443702 (E_RNA)
where:
Base-Base interactions energy: -302.557
where: short stacking energy: -126.151
Base-Backbone interact. energy: -0.207
local terms energy: -131.679099
where:
bonds (distance) C4'-P energy: -20.714
bonds (distance) P-C4' energy: -27.856
flat angles C4'-P-C4' energy: -24.135
flat angles P-C4'-P energy: -18.625
tors. eta vs tors. theta energy: -40.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -414.899200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.899200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.899200 (E_RNA)
where:
Base-Base interactions energy: -303.233
where: short stacking energy: -129.412
Base-Backbone interact. energy: -0.066
local terms energy: -121.600392
where:
bonds (distance) C4'-P energy: -22.851
bonds (distance) P-C4' energy: -21.832
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -18.588
tors. eta vs tors. theta energy: -39.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -196.766929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.766929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.766929 (E_RNA)
where:
Base-Base interactions energy: -115.731
where: short stacking energy: -52.849
Base-Backbone interact. energy: -0.506
local terms energy: -90.529815
where:
bonds (distance) C4'-P energy: -29.643
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -21.910
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -8.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -493.632119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.632119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.632119 (E_RNA)
where:
Base-Base interactions energy: -350.876
where: short stacking energy: -145.757
Base-Backbone interact. energy: -0.623
local terms energy: -152.133047
where:
bonds (distance) C4'-P energy: -24.883
bonds (distance) P-C4' energy: -31.315
flat angles C4'-P-C4' energy: -30.834
flat angles P-C4'-P energy: -20.960
tors. eta vs tors. theta energy: -44.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -489.210913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.210913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.210913 (E_RNA)
where:
Base-Base interactions energy: -346.686
where: short stacking energy: -139.984
Base-Backbone interact. energy: -0.184
local terms energy: -152.340891
where:
bonds (distance) C4'-P energy: -29.937
bonds (distance) P-C4' energy: -22.742
flat angles C4'-P-C4' energy: -34.120
flat angles P-C4'-P energy: -21.474
tors. eta vs tors. theta energy: -44.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -485.607384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.607384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.607384 (E_RNA)
where:
Base-Base interactions energy: -349.266
where: short stacking energy: -154.726
Base-Backbone interact. energy: -0.203
local terms energy: -146.138707
where:
bonds (distance) C4'-P energy: -26.609
bonds (distance) P-C4' energy: -23.750
flat angles C4'-P-C4' energy: -29.880
flat angles P-C4'-P energy: -21.257
tors. eta vs tors. theta energy: -44.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -476.207491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.207491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.207491 (E_RNA)
where:
Base-Base interactions energy: -340.983
where: short stacking energy: -144.531
Base-Backbone interact. energy: -0.297
local terms energy: -144.928017
where:
bonds (distance) C4'-P energy: -26.489
bonds (distance) P-C4' energy: -28.744
flat angles C4'-P-C4' energy: -27.551
flat angles P-C4'-P energy: -19.818
tors. eta vs tors. theta energy: -42.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -459.801937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.801937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.801937 (E_RNA)
where:
Base-Base interactions energy: -337.075
where: short stacking energy: -133.273
Base-Backbone interact. energy: -0.481
local terms energy: -132.245753
where:
bonds (distance) C4'-P energy: -28.494
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -28.726
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -43.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -467.963665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.963665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.963665 (E_RNA)
where:
Base-Base interactions energy: -328.143
where: short stacking energy: -132.964
Base-Backbone interact. energy: -0.202
local terms energy: -149.618905
where:
bonds (distance) C4'-P energy: -25.590
bonds (distance) P-C4' energy: -26.876
flat angles C4'-P-C4' energy: -29.941
flat angles P-C4'-P energy: -24.169
tors. eta vs tors. theta energy: -43.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -457.902431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.902431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.902431 (E_RNA)
where:
Base-Base interactions energy: -337.038
where: short stacking energy: -135.588
Base-Backbone interact. energy: -0.133
local terms energy: -130.731337
where:
bonds (distance) C4'-P energy: -21.541
bonds (distance) P-C4' energy: -24.300
flat angles C4'-P-C4' energy: -26.856
flat angles P-C4'-P energy: -20.644
tors. eta vs tors. theta energy: -37.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -435.595533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.595533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.595533 (E_RNA)
where:
Base-Base interactions energy: -316.686
where: short stacking energy: -136.058
Base-Backbone interact. energy: -0.308
local terms energy: -128.601465
where:
bonds (distance) C4'-P energy: -21.948
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -26.887
flat angles P-C4'-P energy: -14.985
tors. eta vs tors. theta energy: -40.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -436.678862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.678862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.678862 (E_RNA)
where:
Base-Base interactions energy: -321.047
where: short stacking energy: -134.280
Base-Backbone interact. energy: 0.462
local terms energy: -126.093732
where:
bonds (distance) C4'-P energy: -21.598
bonds (distance) P-C4' energy: -21.994
flat angles C4'-P-C4' energy: -25.276
flat angles P-C4'-P energy: -15.190
tors. eta vs tors. theta energy: -42.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -230.678786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.678786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.678786 (E_RNA)
where:
Base-Base interactions energy: -156.914
where: short stacking energy: -69.555
Base-Backbone interact. energy: 0.462
local terms energy: -84.227665
where:
bonds (distance) C4'-P energy: -17.080
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -15.347
tors. eta vs tors. theta energy: -13.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -496.227991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.227991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.227991 (E_RNA)
where:
Base-Base interactions energy: -350.436
where: short stacking energy: -148.120
Base-Backbone interact. energy: -0.004
local terms energy: -155.788766
where:
bonds (distance) C4'-P energy: -32.032
bonds (distance) P-C4' energy: -26.363
flat angles C4'-P-C4' energy: -30.205
flat angles P-C4'-P energy: -23.414
tors. eta vs tors. theta energy: -43.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -493.348179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.348179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.348179 (E_RNA)
where:
Base-Base interactions energy: -355.392
where: short stacking energy: -143.719
Base-Backbone interact. energy: -0.124
local terms energy: -147.832310
where:
bonds (distance) C4'-P energy: -26.678
bonds (distance) P-C4' energy: -26.190
flat angles C4'-P-C4' energy: -29.486
flat angles P-C4'-P energy: -22.179
tors. eta vs tors. theta energy: -43.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -484.789336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.789336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.789336 (E_RNA)
where:
Base-Base interactions energy: -350.680
where: short stacking energy: -143.507
Base-Backbone interact. energy: -0.137
local terms energy: -143.972109
where:
bonds (distance) C4'-P energy: -25.367
bonds (distance) P-C4' energy: -28.607
flat angles C4'-P-C4' energy: -26.465
flat angles P-C4'-P energy: -21.624
tors. eta vs tors. theta energy: -41.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -475.766221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.766221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.766221 (E_RNA)
where:
Base-Base interactions energy: -340.233
where: short stacking energy: -142.805
Base-Backbone interact. energy: -0.095
local terms energy: -145.437854
where:
bonds (distance) C4'-P energy: -24.321
bonds (distance) P-C4' energy: -28.933
flat angles C4'-P-C4' energy: -31.318
flat angles P-C4'-P energy: -16.144
tors. eta vs tors. theta energy: -44.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -466.793263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.793263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.793263 (E_RNA)
where:
Base-Base interactions energy: -337.361
where: short stacking energy: -140.128
Base-Backbone interact. energy: -0.339
local terms energy: -139.093535
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -28.392
flat angles C4'-P-C4' energy: -30.549
flat angles P-C4'-P energy: -21.301
tors. eta vs tors. theta energy: -42.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -458.085035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.085035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.085035 (E_RNA)
where:
Base-Base interactions energy: -326.161
where: short stacking energy: -140.181
Base-Backbone interact. energy: -0.708
local terms energy: -141.216150
where:
bonds (distance) C4'-P energy: -27.297
bonds (distance) P-C4' energy: -23.246
flat angles C4'-P-C4' energy: -27.576
flat angles P-C4'-P energy: -20.827
tors. eta vs tors. theta energy: -42.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -448.085430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.085430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.085430 (E_RNA)
where:
Base-Base interactions energy: -318.342
where: short stacking energy: -133.192
Base-Backbone interact. energy: -0.068
local terms energy: -139.675622
where:
bonds (distance) C4'-P energy: -23.670
bonds (distance) P-C4' energy: -26.855
flat angles C4'-P-C4' energy: -27.618
flat angles P-C4'-P energy: -21.215
tors. eta vs tors. theta energy: -40.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -438.114723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.114723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.114723 (E_RNA)
where:
Base-Base interactions energy: -318.065
where: short stacking energy: -130.706
Base-Backbone interact. energy: -0.698
local terms energy: -129.351302
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -27.812
flat angles C4'-P-C4' energy: -20.609
flat angles P-C4'-P energy: -20.865
tors. eta vs tors. theta energy: -41.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -421.966030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.966030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.966030 (E_RNA)
where:
Base-Base interactions energy: -307.486
where: short stacking energy: -132.961
Base-Backbone interact. energy: -0.160
local terms energy: -124.320446
where:
bonds (distance) C4'-P energy: -18.496
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -30.998
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -39.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -232.495496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.495496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.495496 (E_RNA)
where:
Base-Base interactions energy: -151.907
where: short stacking energy: -74.328
Base-Backbone interact. energy: -0.343
local terms energy: -90.245463
where:
bonds (distance) C4'-P energy: -18.894
bonds (distance) P-C4' energy: -26.999
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -15.807
tors. eta vs tors. theta energy: -9.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -499.217538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.217538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.217538 (E_RNA)
where:
Base-Base interactions energy: -355.070
where: short stacking energy: -154.772
Base-Backbone interact. energy: -0.004
local terms energy: -154.144071
where:
bonds (distance) C4'-P energy: -26.858
bonds (distance) P-C4' energy: -23.953
flat angles C4'-P-C4' energy: -33.045
flat angles P-C4'-P energy: -24.013
tors. eta vs tors. theta energy: -46.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -481.869748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.869748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.869748 (E_RNA)
where:
Base-Base interactions energy: -351.056
where: short stacking energy: -145.723
Base-Backbone interact. energy: -0.050
local terms energy: -140.764078
where:
bonds (distance) C4'-P energy: -21.258
bonds (distance) P-C4' energy: -26.399
flat angles C4'-P-C4' energy: -25.837
flat angles P-C4'-P energy: -23.866
tors. eta vs tors. theta energy: -43.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -481.583993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.583993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.583993 (E_RNA)
where:
Base-Base interactions energy: -349.955
where: short stacking energy: -145.511
Base-Backbone interact. energy: -0.066
local terms energy: -141.563127
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -29.209
flat angles C4'-P-C4' energy: -31.141
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: -42.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -466.120398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.120398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.120398 (E_RNA)
where:
Base-Base interactions energy: -332.004
where: short stacking energy: -133.847
Base-Backbone interact. energy: -0.164
local terms energy: -143.952413
where:
bonds (distance) C4'-P energy: -22.105
bonds (distance) P-C4' energy: -27.574
flat angles C4'-P-C4' energy: -28.621
flat angles P-C4'-P energy: -22.744
tors. eta vs tors. theta energy: -42.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -469.241243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.241243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.241243 (E_RNA)
where:
Base-Base interactions energy: -333.773
where: short stacking energy: -138.770
Base-Backbone interact. energy: -0.877
local terms energy: -144.591061
where:
bonds (distance) C4'-P energy: -29.839
bonds (distance) P-C4' energy: -23.876
flat angles C4'-P-C4' energy: -25.722
flat angles P-C4'-P energy: -20.292
tors. eta vs tors. theta energy: -44.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -455.310029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.310029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.310029 (E_RNA)
where:
Base-Base interactions energy: -324.773
where: short stacking energy: -141.578
Base-Backbone interact. energy: -0.596
local terms energy: -139.941141
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -24.971
flat angles C4'-P-C4' energy: -27.039
flat angles P-C4'-P energy: -24.157
tors. eta vs tors. theta energy: -44.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -422.398982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.398982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.398982 (E_RNA)
where:
Base-Base interactions energy: -301.829
where: short stacking energy: -132.527
Base-Backbone interact. energy: -0.071
local terms energy: -130.499648
where:
bonds (distance) C4'-P energy: -19.481
bonds (distance) P-C4' energy: -27.959
flat angles C4'-P-C4' energy: -27.243
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -41.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -449.018909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.018909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.018909 (E_RNA)
where:
Base-Base interactions energy: -328.503
where: short stacking energy: -130.247
Base-Backbone interact. energy: 0.924
local terms energy: -131.439964
where:
bonds (distance) C4'-P energy: -25.679
bonds (distance) P-C4' energy: -22.098
flat angles C4'-P-C4' energy: -27.049
flat angles P-C4'-P energy: -17.316
tors. eta vs tors. theta energy: -39.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -420.466224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.466224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.466224 (E_RNA)
where:
Base-Base interactions energy: -299.604
where: short stacking energy: -123.204
Base-Backbone interact. energy: -0.038
local terms energy: -130.824027
where:
bonds (distance) C4'-P energy: -26.416
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -26.294
flat angles P-C4'-P energy: -18.477
tors. eta vs tors. theta energy: -40.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -245.069775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.069775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.069775 (E_RNA)
where:
Base-Base interactions energy: -157.518
where: short stacking energy: -78.139
Base-Backbone interact. energy: -0.361
local terms energy: -97.190446
where:
bonds (distance) C4'-P energy: -23.251
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -28.435
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -15.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -491.921789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.921789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.921789 (E_RNA)
where:
Base-Base interactions energy: -343.258
where: short stacking energy: -147.678
Base-Backbone interact. energy: -0.274
local terms energy: -158.389387
where:
bonds (distance) C4'-P energy: -26.988
bonds (distance) P-C4' energy: -25.631
flat angles C4'-P-C4' energy: -34.291
flat angles P-C4'-P energy: -24.768
tors. eta vs tors. theta energy: -46.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -486.213504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.213504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.213504 (E_RNA)
where:
Base-Base interactions energy: -348.067
where: short stacking energy: -148.783
Base-Backbone interact. energy: -0.248
local terms energy: -147.899196
where:
bonds (distance) C4'-P energy: -28.757
bonds (distance) P-C4' energy: -23.328
flat angles C4'-P-C4' energy: -27.386
flat angles P-C4'-P energy: -24.401
tors. eta vs tors. theta energy: -44.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -485.435739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.435739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.435739 (E_RNA)
where:
Base-Base interactions energy: -341.057
where: short stacking energy: -142.106
Base-Backbone interact. energy: -0.778
local terms energy: -153.601558
where:
bonds (distance) C4'-P energy: -26.797
bonds (distance) P-C4' energy: -27.012
flat angles C4'-P-C4' energy: -32.009
flat angles P-C4'-P energy: -22.322
tors. eta vs tors. theta energy: -45.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -472.552211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.552211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.552211 (E_RNA)
where:
Base-Base interactions energy: -346.105
where: short stacking energy: -143.575
Base-Backbone interact. energy: -0.074
local terms energy: -136.373499
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -26.852
flat angles C4'-P-C4' energy: -31.795
flat angles P-C4'-P energy: -17.258
tors. eta vs tors. theta energy: -43.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -459.774345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.774345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.774345 (E_RNA)
where:
Base-Base interactions energy: -322.241
where: short stacking energy: -130.617
Base-Backbone interact. energy: -0.189
local terms energy: -147.344602
where:
bonds (distance) C4'-P energy: -27.068
bonds (distance) P-C4' energy: -29.745
flat angles C4'-P-C4' energy: -26.056
flat angles P-C4'-P energy: -20.404
tors. eta vs tors. theta energy: -44.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -447.440061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.440061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.440061 (E_RNA)
where:
Base-Base interactions energy: -322.374
where: short stacking energy: -139.362
Base-Backbone interact. energy: -0.124
local terms energy: -134.942204
where:
bonds (distance) C4'-P energy: -24.618
bonds (distance) P-C4' energy: -23.434
flat angles C4'-P-C4' energy: -27.863
flat angles P-C4'-P energy: -18.279
tors. eta vs tors. theta energy: -40.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -454.220443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.220443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.220443 (E_RNA)
where:
Base-Base interactions energy: -330.627
where: short stacking energy: -137.894
Base-Backbone interact. energy: -0.131
local terms energy: -133.463344
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -27.994
flat angles C4'-P-C4' energy: -26.381
flat angles P-C4'-P energy: -20.910
tors. eta vs tors. theta energy: -40.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -426.570358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.570358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.570358 (E_RNA)
where:
Base-Base interactions energy: -310.077
where: short stacking energy: -132.941
Base-Backbone interact. energy: -0.004
local terms energy: -126.489859
where:
bonds (distance) C4'-P energy: -27.114
bonds (distance) P-C4' energy: -13.456
flat angles C4'-P-C4' energy: -28.470
flat angles P-C4'-P energy: -16.964
tors. eta vs tors. theta energy: -40.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -388.891081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.891081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.891081 (E_RNA)
where:
Base-Base interactions energy: -291.200
where: short stacking energy: -115.699
Base-Backbone interact. energy: -0.146
local terms energy: -107.545081
where:
bonds (distance) C4'-P energy: -18.727
bonds (distance) P-C4' energy: -23.257
flat angles C4'-P-C4' energy: -20.795
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -29.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -267.972074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.972074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.972074 (E_RNA)
where:
Base-Base interactions energy: -182.300
where: short stacking energy: -77.241
Base-Backbone interact. energy: -0.109
local terms energy: -95.562286
where:
bonds (distance) C4'-P energy: -20.239
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -24.236
flat angles P-C4'-P energy: -17.757
tors. eta vs tors. theta energy: -18.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -494.775693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.775693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.775693 (E_RNA)
where:
Base-Base interactions energy: -350.293
where: short stacking energy: -146.016
Base-Backbone interact. energy: -0.328
local terms energy: -154.154790
where:
bonds (distance) C4'-P energy: -29.575
bonds (distance) P-C4' energy: -28.188
flat angles C4'-P-C4' energy: -31.425
flat angles P-C4'-P energy: -23.324
tors. eta vs tors. theta energy: -41.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -495.038962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.038962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.038962 (E_RNA)
where:
Base-Base interactions energy: -356.394
where: short stacking energy: -151.640
Base-Backbone interact. energy: -0.023
local terms energy: -148.621565
where:
bonds (distance) C4'-P energy: -24.448
bonds (distance) P-C4' energy: -28.750
flat angles C4'-P-C4' energy: -27.845
flat angles P-C4'-P energy: -22.886
tors. eta vs tors. theta energy: -44.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -480.585620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.585620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.585620 (E_RNA)
where:
Base-Base interactions energy: -348.697
where: short stacking energy: -147.534
Base-Backbone interact. energy: -0.382
local terms energy: -141.506878
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -29.738
flat angles C4'-P-C4' energy: -25.575
flat angles P-C4'-P energy: -18.611
tors. eta vs tors. theta energy: -43.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -475.690168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.690168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.690168 (E_RNA)
where:
Base-Base interactions energy: -349.974
where: short stacking energy: -141.512
Base-Backbone interact. energy: -0.143
local terms energy: -135.573102
where:
bonds (distance) C4'-P energy: -22.105
bonds (distance) P-C4' energy: -23.120
flat angles C4'-P-C4' energy: -29.687
flat angles P-C4'-P energy: -17.761
tors. eta vs tors. theta energy: -42.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -461.033472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.033472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.033472 (E_RNA)
where:
Base-Base interactions energy: -338.136
where: short stacking energy: -146.459
Base-Backbone interact. energy: -0.015
local terms energy: -132.882412
where:
bonds (distance) C4'-P energy: -21.004
bonds (distance) P-C4' energy: -23.067
flat angles C4'-P-C4' energy: -25.752
flat angles P-C4'-P energy: -19.059
tors. eta vs tors. theta energy: -44.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -438.959674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.959674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.959674 (E_RNA)
where:
Base-Base interactions energy: -310.166
where: short stacking energy: -131.285
Base-Backbone interact. energy: -0.017
local terms energy: -138.776474
where:
bonds (distance) C4'-P energy: -26.923
bonds (distance) P-C4' energy: -22.513
flat angles C4'-P-C4' energy: -29.062
flat angles P-C4'-P energy: -19.073
tors. eta vs tors. theta energy: -41.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -447.621901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.621901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.621901 (E_RNA)
where:
Base-Base interactions energy: -315.631
where: short stacking energy: -135.573
Base-Backbone interact. energy: -0.588
local terms energy: -141.403494
where:
bonds (distance) C4'-P energy: -27.931
bonds (distance) P-C4' energy: -23.926
flat angles C4'-P-C4' energy: -24.956
flat angles P-C4'-P energy: -21.435
tors. eta vs tors. theta energy: -43.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -447.369206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.369206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.369206 (E_RNA)
where:
Base-Base interactions energy: -314.672
where: short stacking energy: -130.427
Base-Backbone interact. energy: -0.315
local terms energy: -142.381352
where:
bonds (distance) C4'-P energy: -25.170
bonds (distance) P-C4' energy: -24.036
flat angles C4'-P-C4' energy: -31.683
flat angles P-C4'-P energy: -22.036
tors. eta vs tors. theta energy: -39.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -423.300100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.300100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.300100 (E_RNA)
where:
Base-Base interactions energy: -311.499
where: short stacking energy: -130.438
Base-Backbone interact. energy: -1.069
local terms energy: -120.731994
where:
bonds (distance) C4'-P energy: -21.477
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -30.352
flat angles P-C4'-P energy: -17.134
tors. eta vs tors. theta energy: -36.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -326.576046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.576046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.576046 (E_RNA)
where:
Base-Base interactions energy: -213.233
where: short stacking energy: -93.578
Base-Backbone interact. energy: 0.033
local terms energy: -123.375949
where:
bonds (distance) C4'-P energy: -26.548
bonds (distance) P-C4' energy: -28.758
flat angles C4'-P-C4' energy: -25.570
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -32.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -504.098462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.098462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.098462 (E_RNA)
where:
Base-Base interactions energy: -351.718
where: short stacking energy: -145.929
Base-Backbone interact. energy: -0.038
local terms energy: -162.342976
where:
bonds (distance) C4'-P energy: -28.049
bonds (distance) P-C4' energy: -30.115
flat angles C4'-P-C4' energy: -32.646
flat angles P-C4'-P energy: -26.524
tors. eta vs tors. theta energy: -45.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -488.015887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.015887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.015887 (E_RNA)
where:
Base-Base interactions energy: -352.044
where: short stacking energy: -148.762
Base-Backbone interact. energy: -0.914
local terms energy: -145.057316
where:
bonds (distance) C4'-P energy: -22.652
bonds (distance) P-C4' energy: -27.539
flat angles C4'-P-C4' energy: -29.841
flat angles P-C4'-P energy: -22.404
tors. eta vs tors. theta energy: -42.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -485.129778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.129778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.129778 (E_RNA)
where:
Base-Base interactions energy: -347.467
where: short stacking energy: -139.367
Base-Backbone interact. energy: -0.318
local terms energy: -147.345465
where:
bonds (distance) C4'-P energy: -26.213
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -31.767
flat angles P-C4'-P energy: -23.566
tors. eta vs tors. theta energy: -45.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -457.413505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.413505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.413505 (E_RNA)
where:
Base-Base interactions energy: -331.268
where: short stacking energy: -138.933
Base-Backbone interact. energy: -0.295
local terms energy: -135.850186
where:
bonds (distance) C4'-P energy: -29.296
bonds (distance) P-C4' energy: -30.178
flat angles C4'-P-C4' energy: -27.294
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -38.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -468.585376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.585376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.585376 (E_RNA)
where:
Base-Base interactions energy: -331.925
where: short stacking energy: -135.923
Base-Backbone interact. energy: 0.589
local terms energy: -147.249104
where:
bonds (distance) C4'-P energy: -28.554
bonds (distance) P-C4' energy: -23.278
flat angles C4'-P-C4' energy: -31.687
flat angles P-C4'-P energy: -19.750
tors. eta vs tors. theta energy: -43.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -428.954106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.954106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.954106 (E_RNA)
where:
Base-Base interactions energy: -304.652
where: short stacking energy: -120.868
Base-Backbone interact. energy: -0.111
local terms energy: -134.191302
where:
bonds (distance) C4'-P energy: -28.882
bonds (distance) P-C4' energy: -24.311
flat angles C4'-P-C4' energy: -27.995
flat angles P-C4'-P energy: -20.020
tors. eta vs tors. theta energy: -32.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -447.567927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.567927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.567927 (E_RNA)
where:
Base-Base interactions energy: -327.944
where: short stacking energy: -131.995
Base-Backbone interact. energy: -0.020
local terms energy: -129.603775
where:
bonds (distance) C4'-P energy: -22.204
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -26.365
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -46.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -434.532631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.532631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.532631 (E_RNA)
where:
Base-Base interactions energy: -315.162
where: short stacking energy: -131.250
Base-Backbone interact. energy: -1.331
local terms energy: -128.039968
where:
bonds (distance) C4'-P energy: -22.280
bonds (distance) P-C4' energy: -30.253
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -39.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -430.279803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.279803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.279803 (E_RNA)
where:
Base-Base interactions energy: -312.896
where: short stacking energy: -130.345
Base-Backbone interact. energy: -0.092
local terms energy: -127.291554
where:
bonds (distance) C4'-P energy: -25.112
bonds (distance) P-C4' energy: -24.276
flat angles C4'-P-C4' energy: -23.756
flat angles P-C4'-P energy: -16.593
tors. eta vs tors. theta energy: -37.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -280.755487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.755487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.755487 (E_RNA)
where:
Base-Base interactions energy: -190.860
where: short stacking energy: -81.835
Base-Backbone interact. energy: 0.009
local terms energy: -99.904269
where:
bonds (distance) C4'-P energy: -26.018
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -26.628
flat angles P-C4'-P energy: -11.834
tors. eta vs tors. theta energy: -23.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -493.816606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.816606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.816606 (E_RNA)
where:
Base-Base interactions energy: -349.391
where: short stacking energy: -151.975
Base-Backbone interact. energy: -0.002
local terms energy: -154.423784
where:
bonds (distance) C4'-P energy: -21.005
bonds (distance) P-C4' energy: -32.655
flat angles C4'-P-C4' energy: -31.116
flat angles P-C4'-P energy: -24.206
tors. eta vs tors. theta energy: -45.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -492.647544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.647544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.647544 (E_RNA)
where:
Base-Base interactions energy: -349.836
where: short stacking energy: -142.756
Base-Backbone interact. energy: -1.352
local terms energy: -151.459376
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -23.740
flat angles C4'-P-C4' energy: -33.860
flat angles P-C4'-P energy: -22.776
tors. eta vs tors. theta energy: -48.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -466.683539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.683539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.683539 (E_RNA)
where:
Base-Base interactions energy: -336.877
where: short stacking energy: -141.536
Base-Backbone interact. energy: -0.080
local terms energy: -139.726772
where:
bonds (distance) C4'-P energy: -24.279
bonds (distance) P-C4' energy: -26.782
flat angles C4'-P-C4' energy: -28.624
flat angles P-C4'-P energy: -17.121
tors. eta vs tors. theta energy: -42.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -470.361820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.361820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.361820 (E_RNA)
where:
Base-Base interactions energy: -328.185
where: short stacking energy: -137.499
Base-Backbone interact. energy: 1.463
local terms energy: -153.639803
where:
bonds (distance) C4'-P energy: -29.305
bonds (distance) P-C4' energy: -30.043
flat angles C4'-P-C4' energy: -26.825
flat angles P-C4'-P energy: -22.473
tors. eta vs tors. theta energy: -44.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -467.649447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.649447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.649447 (E_RNA)
where:
Base-Base interactions energy: -343.235
where: short stacking energy: -140.942
Base-Backbone interact. energy: -0.637
local terms energy: -133.777679
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -25.361
flat angles C4'-P-C4' energy: -26.078
flat angles P-C4'-P energy: -22.093
tors. eta vs tors. theta energy: -45.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -445.079785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.079785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.079785 (E_RNA)
where:
Base-Base interactions energy: -329.080
where: short stacking energy: -139.436
Base-Backbone interact. energy: -0.062
local terms energy: -125.937846
where:
bonds (distance) C4'-P energy: -21.037
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -24.187
flat angles P-C4'-P energy: -25.218
tors. eta vs tors. theta energy: -39.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -451.915418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.915418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.915418 (E_RNA)
where:
Base-Base interactions energy: -323.592
where: short stacking energy: -137.233
Base-Backbone interact. energy: -0.307
local terms energy: -138.016689
where:
bonds (distance) C4'-P energy: -20.857
bonds (distance) P-C4' energy: -25.296
flat angles C4'-P-C4' energy: -27.454
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -41.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -441.936133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.936133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.936133 (E_RNA)
where:
Base-Base interactions energy: -326.130
where: short stacking energy: -129.633
Base-Backbone interact. energy: -1.376
local terms energy: -124.430563
where:
bonds (distance) C4'-P energy: -22.263
bonds (distance) P-C4' energy: -19.387
flat angles C4'-P-C4' energy: -28.835
flat angles P-C4'-P energy: -16.470
tors. eta vs tors. theta energy: -37.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -413.141446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.141446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.141446 (E_RNA)
where:
Base-Base interactions energy: -294.385
where: short stacking energy: -115.576
Base-Backbone interact. energy: 0.357
local terms energy: -129.113944
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -26.492
flat angles C4'-P-C4' energy: -27.190
flat angles P-C4'-P energy: -20.893
tors. eta vs tors. theta energy: -36.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -314.769177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.769177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.769177 (E_RNA)
where:
Base-Base interactions energy: -207.023
where: short stacking energy: -88.602
Base-Backbone interact. energy: -0.140
local terms energy: -117.606375
where:
bonds (distance) C4'-P energy: -26.469
bonds (distance) P-C4' energy: -21.694
flat angles C4'-P-C4' energy: -27.047
flat angles P-C4'-P energy: -16.105
tors. eta vs tors. theta energy: -26.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -497.337375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.337375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.337375 (E_RNA)
where:
Base-Base interactions energy: -352.221
where: short stacking energy: -146.929
Base-Backbone interact. energy: -0.011
local terms energy: -155.105139
where:
bonds (distance) C4'-P energy: -24.505
bonds (distance) P-C4' energy: -30.993
flat angles C4'-P-C4' energy: -32.279
flat angles P-C4'-P energy: -22.282
tors. eta vs tors. theta energy: -45.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -484.036279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.036279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.036279 (E_RNA)
where:
Base-Base interactions energy: -340.798
where: short stacking energy: -150.229
Base-Backbone interact. energy: -0.188
local terms energy: -153.050098
where:
bonds (distance) C4'-P energy: -27.954
bonds (distance) P-C4' energy: -26.007
flat angles C4'-P-C4' energy: -33.571
flat angles P-C4'-P energy: -21.142
tors. eta vs tors. theta energy: -44.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -469.759833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.759833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.759833 (E_RNA)
where:
Base-Base interactions energy: -325.608
where: short stacking energy: -128.537
Base-Backbone interact. energy: -0.337
local terms energy: -153.814289
where:
bonds (distance) C4'-P energy: -27.876
bonds (distance) P-C4' energy: -29.281
flat angles C4'-P-C4' energy: -32.849
flat angles P-C4'-P energy: -20.688
tors. eta vs tors. theta energy: -43.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -486.787880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.787880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.787880 (E_RNA)
where:
Base-Base interactions energy: -348.085
where: short stacking energy: -147.824
Base-Backbone interact. energy: -0.128
local terms energy: -148.574527
where:
bonds (distance) C4'-P energy: -25.272
bonds (distance) P-C4' energy: -29.829
flat angles C4'-P-C4' energy: -27.508
flat angles P-C4'-P energy: -21.252
tors. eta vs tors. theta energy: -44.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -463.003672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.003672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.003672 (E_RNA)
where:
Base-Base interactions energy: -331.119
where: short stacking energy: -137.467
Base-Backbone interact. energy: -0.074
local terms energy: -141.810621
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -26.811
flat angles C4'-P-C4' energy: -30.858
flat angles P-C4'-P energy: -20.838
tors. eta vs tors. theta energy: -41.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -462.401395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.401395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.401395 (E_RNA)
where:
Base-Base interactions energy: -326.349
where: short stacking energy: -142.753
Base-Backbone interact. energy: 0.017
local terms energy: -146.069484
where:
bonds (distance) C4'-P energy: -25.401
bonds (distance) P-C4' energy: -26.554
flat angles C4'-P-C4' energy: -28.865
flat angles P-C4'-P energy: -17.367
tors. eta vs tors. theta energy: -47.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -441.475230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.475230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.475230 (E_RNA)
where:
Base-Base interactions energy: -312.958
where: short stacking energy: -133.283
Base-Backbone interact. energy: -0.009
local terms energy: -138.508167
where:
bonds (distance) C4'-P energy: -21.660
bonds (distance) P-C4' energy: -22.624
flat angles C4'-P-C4' energy: -32.606
flat angles P-C4'-P energy: -20.645
tors. eta vs tors. theta energy: -40.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -405.698320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.698320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.698320 (E_RNA)
where:
Base-Base interactions energy: -286.017
where: short stacking energy: -115.365
Base-Backbone interact. energy: -0.168
local terms energy: -129.512759
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -26.004
flat angles C4'-P-C4' energy: -30.619
flat angles P-C4'-P energy: -21.207
tors. eta vs tors. theta energy: -36.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -417.063137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.063137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.063137 (E_RNA)
where:
Base-Base interactions energy: -304.185
where: short stacking energy: -125.943
Base-Backbone interact. energy: -0.134
local terms energy: -122.744848
where:
bonds (distance) C4'-P energy: -20.146
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -22.040
flat angles P-C4'-P energy: -17.332
tors. eta vs tors. theta energy: -43.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -311.954274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.954274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.954274 (E_RNA)
where:
Base-Base interactions energy: -220.871
where: short stacking energy: -85.884
Base-Backbone interact. energy: 0.791
local terms energy: -101.874017
where:
bonds (distance) C4'-P energy: -26.300
bonds (distance) P-C4' energy: -22.068
flat angles C4'-P-C4' energy: -25.872
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -13.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -495.309527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.309527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.309527 (E_RNA)
where:
Base-Base interactions energy: -356.558
where: short stacking energy: -150.184
Base-Backbone interact. energy: -0.273
local terms energy: -148.478570
where:
bonds (distance) C4'-P energy: -31.059
bonds (distance) P-C4' energy: -21.878
flat angles C4'-P-C4' energy: -27.451
flat angles P-C4'-P energy: -23.260
tors. eta vs tors. theta energy: -44.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -499.309354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.309354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.309354 (E_RNA)
where:
Base-Base interactions energy: -360.257
where: short stacking energy: -153.013
Base-Backbone interact. energy: -0.124
local terms energy: -148.928910
where:
bonds (distance) C4'-P energy: -29.034
bonds (distance) P-C4' energy: -21.798
flat angles C4'-P-C4' energy: -31.548
flat angles P-C4'-P energy: -22.267
tors. eta vs tors. theta energy: -44.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -477.989890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.989890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.989890 (E_RNA)
where:
Base-Base interactions energy: -348.481
where: short stacking energy: -134.071
Base-Backbone interact. energy: -0.668
local terms energy: -138.841182
where:
bonds (distance) C4'-P energy: -21.928
bonds (distance) P-C4' energy: -23.507
flat angles C4'-P-C4' energy: -29.085
flat angles P-C4'-P energy: -22.329
tors. eta vs tors. theta energy: -41.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -467.497141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.497141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.497141 (E_RNA)
where:
Base-Base interactions energy: -335.328
where: short stacking energy: -134.467
Base-Backbone interact. energy: -0.267
local terms energy: -141.902550
where:
bonds (distance) C4'-P energy: -24.403
bonds (distance) P-C4' energy: -26.927
flat angles C4'-P-C4' energy: -29.838
flat angles P-C4'-P energy: -19.333
tors. eta vs tors. theta energy: -41.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -461.684496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.684496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.684496 (E_RNA)
where:
Base-Base interactions energy: -331.126
where: short stacking energy: -132.111
Base-Backbone interact. energy: -0.302
local terms energy: -140.255580
where:
bonds (distance) C4'-P energy: -29.226
bonds (distance) P-C4' energy: -29.042
flat angles C4'-P-C4' energy: -23.030
flat angles P-C4'-P energy: -13.056
tors. eta vs tors. theta energy: -45.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -460.470616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.470616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.470616 (E_RNA)
where:
Base-Base interactions energy: -323.399
where: short stacking energy: -140.763
Base-Backbone interact. energy: -0.681
local terms energy: -146.390721
where:
bonds (distance) C4'-P energy: -24.913
bonds (distance) P-C4' energy: -30.551
flat angles C4'-P-C4' energy: -27.539
flat angles P-C4'-P energy: -19.215
tors. eta vs tors. theta energy: -44.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -456.896565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.896565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.896565 (E_RNA)
where:
Base-Base interactions energy: -333.437
where: short stacking energy: -134.695
Base-Backbone interact. energy: 2.338
local terms energy: -135.797255
where:
bonds (distance) C4'-P energy: -28.395
bonds (distance) P-C4' energy: -24.652
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -19.657
tors. eta vs tors. theta energy: -41.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -418.749478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.749478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.749478 (E_RNA)
where:
Base-Base interactions energy: -300.409
where: short stacking energy: -127.414
Base-Backbone interact. energy: -0.231
local terms energy: -128.109922
where:
bonds (distance) C4'-P energy: -26.151
bonds (distance) P-C4' energy: -22.829
flat angles C4'-P-C4' energy: -28.635
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -35.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -426.603772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.603772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.603772 (E_RNA)
where:
Base-Base interactions energy: -301.282
where: short stacking energy: -118.526
Base-Backbone interact. energy: 0.037
local terms energy: -135.359347
where:
bonds (distance) C4'-P energy: -25.318
bonds (distance) P-C4' energy: -24.216
flat angles C4'-P-C4' energy: -27.746
flat angles P-C4'-P energy: -16.623
tors. eta vs tors. theta energy: -41.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -324.961729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.961729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.961729 (E_RNA)
where:
Base-Base interactions energy: -231.138
where: short stacking energy: -93.229
Base-Backbone interact. energy: -0.465
local terms energy: -103.358331
where:
bonds (distance) C4'-P energy: -20.788
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -25.768
flat angles P-C4'-P energy: -20.044
tors. eta vs tors. theta energy: -16.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -502.989380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.989380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.989380 (E_RNA)
where:
Base-Base interactions energy: -356.784
where: short stacking energy: -149.628
Base-Backbone interact. energy: -0.222
local terms energy: -155.983122
where:
bonds (distance) C4'-P energy: -29.334
bonds (distance) P-C4' energy: -25.989
flat angles C4'-P-C4' energy: -31.959
flat angles P-C4'-P energy: -22.635
tors. eta vs tors. theta energy: -46.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -487.182784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.182784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.182784 (E_RNA)
where:
Base-Base interactions energy: -343.971
where: short stacking energy: -142.760
Base-Backbone interact. energy: -0.062
local terms energy: -153.149521
where:
bonds (distance) C4'-P energy: -26.815
bonds (distance) P-C4' energy: -28.761
flat angles C4'-P-C4' energy: -31.070
flat angles P-C4'-P energy: -25.204
tors. eta vs tors. theta energy: -41.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -465.893398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.893398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.893398 (E_RNA)
where:
Base-Base interactions energy: -324.546
where: short stacking energy: -135.078
Base-Backbone interact. energy: -0.025
local terms energy: -151.322923
where:
bonds (distance) C4'-P energy: -25.384
bonds (distance) P-C4' energy: -26.401
flat angles C4'-P-C4' energy: -32.672
flat angles P-C4'-P energy: -22.727
tors. eta vs tors. theta energy: -44.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -477.417260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.417260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.417260 (E_RNA)
where:
Base-Base interactions energy: -345.395
where: short stacking energy: -148.771
Base-Backbone interact. energy: 0.838
local terms energy: -142.860101
where:
bonds (distance) C4'-P energy: -29.261
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -28.811
flat angles P-C4'-P energy: -20.328
tors. eta vs tors. theta energy: -45.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -470.131147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.131147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.131147 (E_RNA)
where:
Base-Base interactions energy: -343.363
where: short stacking energy: -137.347
Base-Backbone interact. energy: -0.360
local terms energy: -136.408060
where:
bonds (distance) C4'-P energy: -27.885
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -29.082
flat angles P-C4'-P energy: -20.505
tors. eta vs tors. theta energy: -41.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -475.366806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.366806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.366806 (E_RNA)
where:
Base-Base interactions energy: -349.143
where: short stacking energy: -148.360
Base-Backbone interact. energy: -0.022
local terms energy: -136.202145
where:
bonds (distance) C4'-P energy: -24.730
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -28.729
flat angles P-C4'-P energy: -18.752
tors. eta vs tors. theta energy: -44.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -459.078837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.078837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.078837 (E_RNA)
where:
Base-Base interactions energy: -330.925
where: short stacking energy: -137.170
Base-Backbone interact. energy: -0.620
local terms energy: -137.534326
where:
bonds (distance) C4'-P energy: -19.866
bonds (distance) P-C4' energy: -26.975
flat angles C4'-P-C4' energy: -30.174
flat angles P-C4'-P energy: -18.781
tors. eta vs tors. theta energy: -41.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -421.948690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.948690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.948690 (E_RNA)
where:
Base-Base interactions energy: -296.246
where: short stacking energy: -122.170
Base-Backbone interact. energy: 0.170
local terms energy: -135.873371
where:
bonds (distance) C4'-P energy: -18.446
bonds (distance) P-C4' energy: -26.008
flat angles C4'-P-C4' energy: -33.246
flat angles P-C4'-P energy: -20.167
tors. eta vs tors. theta energy: -38.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -414.576758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.576758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.576758 (E_RNA)
where:
Base-Base interactions energy: -306.625
where: short stacking energy: -129.017
Base-Backbone interact. energy: -0.256
local terms energy: -117.695461
where:
bonds (distance) C4'-P energy: -21.121
bonds (distance) P-C4' energy: -26.804
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -40.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -320.530205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.530205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.530205 (E_RNA)
where:
Base-Base interactions energy: -233.243
where: short stacking energy: -111.755
Base-Backbone interact. energy: -0.219
local terms energy: -97.067574
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -21.464
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -16.369
tors. eta vs tors. theta energy: -33.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -498.811875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.811875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.811875 (E_RNA)
where:
Base-Base interactions energy: -364.063
where: short stacking energy: -147.514
Base-Backbone interact. energy: -0.145
local terms energy: -144.604445
where:
bonds (distance) C4'-P energy: -23.981
bonds (distance) P-C4' energy: -26.977
flat angles C4'-P-C4' energy: -33.467
flat angles P-C4'-P energy: -19.616
tors. eta vs tors. theta energy: -40.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -492.731300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.731300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.731300 (E_RNA)
where:
Base-Base interactions energy: -358.800
where: short stacking energy: -152.906
Base-Backbone interact. energy: -0.016
local terms energy: -143.914665
where:
bonds (distance) C4'-P energy: -26.254
bonds (distance) P-C4' energy: -28.645
flat angles C4'-P-C4' energy: -29.507
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -46.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -482.066046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.066046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.066046 (E_RNA)
where:
Base-Base interactions energy: -347.389
where: short stacking energy: -144.733
Base-Backbone interact. energy: 0.415
local terms energy: -145.091329
where:
bonds (distance) C4'-P energy: -26.106
bonds (distance) P-C4' energy: -20.446
flat angles C4'-P-C4' energy: -32.876
flat angles P-C4'-P energy: -19.586
tors. eta vs tors. theta energy: -46.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -478.105152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.105152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.105152 (E_RNA)
where:
Base-Base interactions energy: -342.088
where: short stacking energy: -149.232
Base-Backbone interact. energy: -0.535
local terms energy: -145.482556
where:
bonds (distance) C4'-P energy: -23.643
bonds (distance) P-C4' energy: -23.904
flat angles C4'-P-C4' energy: -29.079
flat angles P-C4'-P energy: -23.974
tors. eta vs tors. theta energy: -44.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -468.386363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.386363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.386363 (E_RNA)
where:
Base-Base interactions energy: -339.198
where: short stacking energy: -139.351
Base-Backbone interact. energy: -0.080
local terms energy: -139.108613
where:
bonds (distance) C4'-P energy: -21.904
bonds (distance) P-C4' energy: -23.699
flat angles C4'-P-C4' energy: -30.796
flat angles P-C4'-P energy: -20.052
tors. eta vs tors. theta energy: -42.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -459.247612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.247612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.247612 (E_RNA)
where:
Base-Base interactions energy: -326.565
where: short stacking energy: -136.584
Base-Backbone interact. energy: -0.049
local terms energy: -142.633654
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -24.354
flat angles C4'-P-C4' energy: -33.151
flat angles P-C4'-P energy: -22.515
tors. eta vs tors. theta energy: -41.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -440.964560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.964560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.964560 (E_RNA)
where:
Base-Base interactions energy: -316.200
where: short stacking energy: -132.563
Base-Backbone interact. energy: -0.035
local terms energy: -134.729054
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -26.949
flat angles C4'-P-C4' energy: -28.371
flat angles P-C4'-P energy: -20.712
tors. eta vs tors. theta energy: -40.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -406.414295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.414295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.414295 (E_RNA)
where:
Base-Base interactions energy: -296.881
where: short stacking energy: -122.358
Base-Backbone interact. energy: -0.123
local terms energy: -119.410673
where:
bonds (distance) C4'-P energy: -21.547
bonds (distance) P-C4' energy: -20.981
flat angles C4'-P-C4' energy: -22.265
flat angles P-C4'-P energy: -17.635
tors. eta vs tors. theta energy: -36.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -412.516246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.516246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.516246 (E_RNA)
where:
Base-Base interactions energy: -291.299
where: short stacking energy: -128.860
Base-Backbone interact. energy: 0.593
local terms energy: -131.809696
where:
bonds (distance) C4'-P energy: -21.957
bonds (distance) P-C4' energy: -21.713
flat angles C4'-P-C4' energy: -30.105
flat angles P-C4'-P energy: -21.128
tors. eta vs tors. theta energy: -36.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -309.893691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -309.893691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.893691 (E_RNA)
where:
Base-Base interactions energy: -219.832
where: short stacking energy: -95.221
Base-Backbone interact. energy: -1.641
local terms energy: -98.420827
where:
bonds (distance) C4'-P energy: -22.128
bonds (distance) P-C4' energy: -14.081
flat angles C4'-P-C4' energy: -30.465
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -22.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -496.199073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.199073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.199073 (E_RNA)
where:
Base-Base interactions energy: -354.072
where: short stacking energy: -146.482
Base-Backbone interact. energy: -0.238
local terms energy: -151.889395
where:
bonds (distance) C4'-P energy: -29.301
bonds (distance) P-C4' energy: -29.345
flat angles C4'-P-C4' energy: -26.975
flat angles P-C4'-P energy: -22.700
tors. eta vs tors. theta energy: -43.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -490.665078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.665078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.665078 (E_RNA)
where:
Base-Base interactions energy: -352.443
where: short stacking energy: -140.942
Base-Backbone interact. energy: -1.417
local terms energy: -146.804855
where:
bonds (distance) C4'-P energy: -24.796
bonds (distance) P-C4' energy: -30.270
flat angles C4'-P-C4' energy: -29.703
flat angles P-C4'-P energy: -19.531
tors. eta vs tors. theta energy: -42.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -478.400696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.400696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.400696 (E_RNA)
where:
Base-Base interactions energy: -333.576
where: short stacking energy: -150.390
Base-Backbone interact. energy: -0.733
local terms energy: -154.092450
where:
bonds (distance) C4'-P energy: -25.923
bonds (distance) P-C4' energy: -27.864
flat angles C4'-P-C4' energy: -31.352
flat angles P-C4'-P energy: -21.362
tors. eta vs tors. theta energy: -47.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -479.537561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.537561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.537561 (E_RNA)
where:
Base-Base interactions energy: -341.132
where: short stacking energy: -141.848
Base-Backbone interact. energy: -0.011
local terms energy: -148.393942
where:
bonds (distance) C4'-P energy: -26.133
bonds (distance) P-C4' energy: -25.889
flat angles C4'-P-C4' energy: -30.023
flat angles P-C4'-P energy: -22.429
tors. eta vs tors. theta energy: -43.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -467.187094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.187094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.187094 (E_RNA)
where:
Base-Base interactions energy: -331.020
where: short stacking energy: -129.418
Base-Backbone interact. energy: -0.386
local terms energy: -145.781679
where:
bonds (distance) C4'-P energy: -28.295
bonds (distance) P-C4' energy: -26.720
flat angles C4'-P-C4' energy: -30.615
flat angles P-C4'-P energy: -16.440
tors. eta vs tors. theta energy: -43.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -441.685880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.685880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.685880 (E_RNA)
where:
Base-Base interactions energy: -306.447
where: short stacking energy: -134.574
Base-Backbone interact. energy: -0.476
local terms energy: -144.763106
where:
bonds (distance) C4'-P energy: -27.535
bonds (distance) P-C4' energy: -22.942
flat angles C4'-P-C4' energy: -30.443
flat angles P-C4'-P energy: -19.551
tors. eta vs tors. theta energy: -44.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -472.104348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.104348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.104348 (E_RNA)
where:
Base-Base interactions energy: -346.549
where: short stacking energy: -153.340
Base-Backbone interact. energy: -0.003
local terms energy: -135.552871
where:
bonds (distance) C4'-P energy: -22.488
bonds (distance) P-C4' energy: -28.432
flat angles C4'-P-C4' energy: -27.906
flat angles P-C4'-P energy: -11.261
tors. eta vs tors. theta energy: -45.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -428.235331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.235331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.235331 (E_RNA)
where:
Base-Base interactions energy: -312.450
where: short stacking energy: -121.986
Base-Backbone interact. energy: -0.027
local terms energy: -125.757924
where:
bonds (distance) C4'-P energy: -24.717
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -25.146
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -41.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -414.132299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.132299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.132299 (E_RNA)
where:
Base-Base interactions energy: -308.665
where: short stacking energy: -124.873
Base-Backbone interact. energy: -0.075
local terms energy: -115.392005
where:
bonds (distance) C4'-P energy: -24.453
bonds (distance) P-C4' energy: -9.072
flat angles C4'-P-C4' energy: -26.234
flat angles P-C4'-P energy: -17.697
tors. eta vs tors. theta energy: -37.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -332.076531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.076531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.076531 (E_RNA)
where:
Base-Base interactions energy: -219.713
where: short stacking energy: -96.453
Base-Backbone interact. energy: -0.566
local terms energy: -121.797437
where:
bonds (distance) C4'-P energy: -23.588
bonds (distance) P-C4' energy: -25.004
flat angles C4'-P-C4' energy: -31.403
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -28.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -492.548900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.548900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.548900 (E_RNA)
where:
Base-Base interactions energy: -356.891
where: short stacking energy: -152.710
Base-Backbone interact. energy: -0.224
local terms energy: -145.433989
where:
bonds (distance) C4'-P energy: -23.479
bonds (distance) P-C4' energy: -21.470
flat angles C4'-P-C4' energy: -34.194
flat angles P-C4'-P energy: -21.219
tors. eta vs tors. theta energy: -45.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -483.868337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.868337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.868337 (E_RNA)
where:
Base-Base interactions energy: -352.273
where: short stacking energy: -143.603
Base-Backbone interact. energy: -0.175
local terms energy: -141.420371
where:
bonds (distance) C4'-P energy: -25.572
bonds (distance) P-C4' energy: -23.071
flat angles C4'-P-C4' energy: -29.414
flat angles P-C4'-P energy: -18.901
tors. eta vs tors. theta energy: -44.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -476.267826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.267826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.267826 (E_RNA)
where:
Base-Base interactions energy: -333.918
where: short stacking energy: -142.299
Base-Backbone interact. energy: -0.873
local terms energy: -151.476601
where:
bonds (distance) C4'-P energy: -29.413
bonds (distance) P-C4' energy: -26.570
flat angles C4'-P-C4' energy: -29.999
flat angles P-C4'-P energy: -21.060
tors. eta vs tors. theta energy: -44.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -480.669601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.669601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.669601 (E_RNA)
where:
Base-Base interactions energy: -340.450
where: short stacking energy: -144.211
Base-Backbone interact. energy: -0.005
local terms energy: -150.214652
where:
bonds (distance) C4'-P energy: -25.621
bonds (distance) P-C4' energy: -29.914
flat angles C4'-P-C4' energy: -30.489
flat angles P-C4'-P energy: -18.612
tors. eta vs tors. theta energy: -45.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -469.899409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.899409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.899409 (E_RNA)
where:
Base-Base interactions energy: -332.827
where: short stacking energy: -135.789
Base-Backbone interact. energy: -0.132
local terms energy: -146.940916
where:
bonds (distance) C4'-P energy: -20.301
bonds (distance) P-C4' energy: -28.135
flat angles C4'-P-C4' energy: -30.505
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -42.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -468.997546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.997546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.997546 (E_RNA)
where:
Base-Base interactions energy: -335.233
where: short stacking energy: -137.445
Base-Backbone interact. energy: -0.095
local terms energy: -143.668878
where:
bonds (distance) C4'-P energy: -26.699
bonds (distance) P-C4' energy: -28.434
flat angles C4'-P-C4' energy: -27.293
flat angles P-C4'-P energy: -20.620
tors. eta vs tors. theta energy: -40.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -418.490931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.490931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.490931 (E_RNA)
where:
Base-Base interactions energy: -305.443
where: short stacking energy: -125.002
Base-Backbone interact. energy: -0.717
local terms energy: -122.330706
where:
bonds (distance) C4'-P energy: -20.511
bonds (distance) P-C4' energy: -26.982
flat angles C4'-P-C4' energy: -23.296
flat angles P-C4'-P energy: -16.375
tors. eta vs tors. theta energy: -35.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -437.684700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.684700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.684700 (E_RNA)
where:
Base-Base interactions energy: -314.914
where: short stacking energy: -135.864
Base-Backbone interact. energy: 0.263
local terms energy: -133.033677
where:
bonds (distance) C4'-P energy: -17.179
bonds (distance) P-C4' energy: -23.210
flat angles C4'-P-C4' energy: -27.849
flat angles P-C4'-P energy: -19.739
tors. eta vs tors. theta energy: -45.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -425.412522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.412522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.412522 (E_RNA)
where:
Base-Base interactions energy: -308.886
where: short stacking energy: -130.721
Base-Backbone interact. energy: -0.674
local terms energy: -125.852472
where:
bonds (distance) C4'-P energy: -22.925
bonds (distance) P-C4' energy: -19.403
flat angles C4'-P-C4' energy: -25.531
flat angles P-C4'-P energy: -17.598
tors. eta vs tors. theta energy: -40.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -307.705024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.705024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.705024 (E_RNA)
where:
Base-Base interactions energy: -204.069
where: short stacking energy: -81.685
Base-Backbone interact. energy: -0.303
local terms energy: -113.333122
where:
bonds (distance) C4'-P energy: -19.734
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -25.811
flat angles P-C4'-P energy: -19.547
tors. eta vs tors. theta energy: -27.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -497.266476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.266476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.266476 (E_RNA)
where:
Base-Base interactions energy: -355.643
where: short stacking energy: -150.425
Base-Backbone interact. energy: -0.131
local terms energy: -151.492351
where:
bonds (distance) C4'-P energy: -24.284
bonds (distance) P-C4' energy: -30.282
flat angles C4'-P-C4' energy: -31.282
flat angles P-C4'-P energy: -21.033
tors. eta vs tors. theta energy: -44.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -490.521884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.521884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.521884 (E_RNA)
where:
Base-Base interactions energy: -340.025
where: short stacking energy: -146.691
Base-Backbone interact. energy: -1.094
local terms energy: -159.403251
where:
bonds (distance) C4'-P energy: -29.573
bonds (distance) P-C4' energy: -28.900
flat angles C4'-P-C4' energy: -27.130
flat angles P-C4'-P energy: -27.159
tors. eta vs tors. theta energy: -46.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -485.106224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.106224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.106224 (E_RNA)
where:
Base-Base interactions energy: -364.508
where: short stacking energy: -133.333
Base-Backbone interact. energy: -0.086
local terms energy: -130.511984
where:
bonds (distance) C4'-P energy: -25.615
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -26.308
flat angles P-C4'-P energy: -17.443
tors. eta vs tors. theta energy: -42.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -477.566261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.566261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.566261 (E_RNA)
where:
Base-Base interactions energy: -338.871
where: short stacking energy: -136.377
Base-Backbone interact. energy: -0.904
local terms energy: -147.790497
where:
bonds (distance) C4'-P energy: -25.120
bonds (distance) P-C4' energy: -29.589
flat angles C4'-P-C4' energy: -29.355
flat angles P-C4'-P energy: -17.956
tors. eta vs tors. theta energy: -45.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -470.464198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.464198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.464198 (E_RNA)
where:
Base-Base interactions energy: -333.514
where: short stacking energy: -141.251
Base-Backbone interact. energy: -0.176
local terms energy: -146.774220
where:
bonds (distance) C4'-P energy: -21.310
bonds (distance) P-C4' energy: -23.768
flat angles C4'-P-C4' energy: -32.536
flat angles P-C4'-P energy: -24.227
tors. eta vs tors. theta energy: -44.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -445.282416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.282416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.282416 (E_RNA)
where:
Base-Base interactions energy: -313.961
where: short stacking energy: -136.107
Base-Backbone interact. energy: 0.542
local terms energy: -141.862658
where:
bonds (distance) C4'-P energy: -27.181
bonds (distance) P-C4' energy: -23.675
flat angles C4'-P-C4' energy: -29.761
flat angles P-C4'-P energy: -22.258
tors. eta vs tors. theta energy: -38.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -445.356633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.356633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.356633 (E_RNA)
where:
Base-Base interactions energy: -316.962
where: short stacking energy: -134.670
Base-Backbone interact. energy: -0.016
local terms energy: -138.379031
where:
bonds (distance) C4'-P energy: -31.312
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -29.670
flat angles P-C4'-P energy: -18.196
tors. eta vs tors. theta energy: -39.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -422.460930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.460930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.460930 (E_RNA)
where:
Base-Base interactions energy: -306.080
where: short stacking energy: -135.316
Base-Backbone interact. energy: -0.075
local terms energy: -126.305913
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -26.276
flat angles C4'-P-C4' energy: -26.185
flat angles P-C4'-P energy: -19.309
tors. eta vs tors. theta energy: -39.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -436.132314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.132314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.132314 (E_RNA)
where:
Base-Base interactions energy: -309.533
where: short stacking energy: -125.383
Base-Backbone interact. energy: -0.109
local terms energy: -136.489903
where:
bonds (distance) C4'-P energy: -20.776
bonds (distance) P-C4' energy: -29.146
flat angles C4'-P-C4' energy: -31.875
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -39.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -317.464503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.464503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.464503 (E_RNA)
where:
Base-Base interactions energy: -216.787
where: short stacking energy: -98.504
Base-Backbone interact. energy: -0.107
local terms energy: -110.569833
where:
bonds (distance) C4'-P energy: -21.382
bonds (distance) P-C4' energy: -26.038
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -19.443
tors. eta vs tors. theta energy: -24.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -493.464564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.464564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.464564 (E_RNA)
where:
Base-Base interactions energy: -354.725
where: short stacking energy: -143.496
Base-Backbone interact. energy: -1.318
local terms energy: -147.421281
where:
bonds (distance) C4'-P energy: -25.061
bonds (distance) P-C4' energy: -32.336
flat angles C4'-P-C4' energy: -24.143
flat angles P-C4'-P energy: -21.355
tors. eta vs tors. theta energy: -44.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -501.192179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.192179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.192179 (E_RNA)
where:
Base-Base interactions energy: -352.955
where: short stacking energy: -149.553
Base-Backbone interact. energy: -0.224
local terms energy: -158.013049
where:
bonds (distance) C4'-P energy: -26.345
bonds (distance) P-C4' energy: -31.955
flat angles C4'-P-C4' energy: -34.504
flat angles P-C4'-P energy: -19.731
tors. eta vs tors. theta energy: -45.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -482.548241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.548241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.548241 (E_RNA)
where:
Base-Base interactions energy: -354.162
where: short stacking energy: -143.053
Base-Backbone interact. energy: -0.506
local terms energy: -137.879946
where:
bonds (distance) C4'-P energy: -23.800
bonds (distance) P-C4' energy: -31.937
flat angles C4'-P-C4' energy: -21.800
flat angles P-C4'-P energy: -18.803
tors. eta vs tors. theta energy: -41.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -477.096978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.096978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.096978 (E_RNA)
where:
Base-Base interactions energy: -340.058
where: short stacking energy: -143.795
Base-Backbone interact. energy: -0.248
local terms energy: -146.791637
where:
bonds (distance) C4'-P energy: -23.191
bonds (distance) P-C4' energy: -24.324
flat angles C4'-P-C4' energy: -32.055
flat angles P-C4'-P energy: -19.112
tors. eta vs tors. theta energy: -48.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -475.418119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.418119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.418119 (E_RNA)
where:
Base-Base interactions energy: -333.935
where: short stacking energy: -138.567
Base-Backbone interact. energy: -0.157
local terms energy: -151.326611
where:
bonds (distance) C4'-P energy: -25.260
bonds (distance) P-C4' energy: -28.525
flat angles C4'-P-C4' energy: -30.670
flat angles P-C4'-P energy: -21.530
tors. eta vs tors. theta energy: -45.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -453.047818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.047818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.047818 (E_RNA)
where:
Base-Base interactions energy: -317.316
where: short stacking energy: -130.013
Base-Backbone interact. energy: -0.171
local terms energy: -145.560899
where:
bonds (distance) C4'-P energy: -26.924
bonds (distance) P-C4' energy: -28.792
flat angles C4'-P-C4' energy: -26.952
flat angles P-C4'-P energy: -24.105
tors. eta vs tors. theta energy: -38.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -442.777276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.777276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.777276 (E_RNA)
where:
Base-Base interactions energy: -323.300
where: short stacking energy: -132.697
Base-Backbone interact. energy: -0.215
local terms energy: -129.262105
where:
bonds (distance) C4'-P energy: -23.551
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -26.405
flat angles P-C4'-P energy: -20.096
tors. eta vs tors. theta energy: -40.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -436.640314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.640314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.640314 (E_RNA)
where:
Base-Base interactions energy: -314.978
where: short stacking energy: -133.786
Base-Backbone interact. energy: -0.573
local terms energy: -131.089958
where:
bonds (distance) C4'-P energy: -23.572
bonds (distance) P-C4' energy: -22.167
flat angles C4'-P-C4' energy: -24.260
flat angles P-C4'-P energy: -17.426
tors. eta vs tors. theta energy: -43.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -418.135624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.135624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.135624 (E_RNA)
where:
Base-Base interactions energy: -300.499
where: short stacking energy: -127.594
Base-Backbone interact. energy: -0.033
local terms energy: -127.603116
where:
bonds (distance) C4'-P energy: -24.958
bonds (distance) P-C4' energy: -19.866
flat angles C4'-P-C4' energy: -23.951
flat angles P-C4'-P energy: -18.999
tors. eta vs tors. theta energy: -39.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -335.656144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -335.656144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.656144 (E_RNA)
where:
Base-Base interactions energy: -236.128
where: short stacking energy: -105.264
Base-Backbone interact. energy: 1.971
local terms energy: -111.499376
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -17.726
flat angles C4'-P-C4' energy: -24.062
flat angles P-C4'-P energy: -18.161
tors. eta vs tors. theta energy: -35.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -501.648708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.648708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.648708 (E_RNA)
where:
Base-Base interactions energy: -354.247
where: short stacking energy: -150.685
Base-Backbone interact. energy: -0.136
local terms energy: -157.265408
where:
bonds (distance) C4'-P energy: -22.740
bonds (distance) P-C4' energy: -29.818
flat angles C4'-P-C4' energy: -35.253
flat angles P-C4'-P energy: -21.551
tors. eta vs tors. theta energy: -47.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -488.167760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.167760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.167760 (E_RNA)
where:
Base-Base interactions energy: -348.501
where: short stacking energy: -142.646
Base-Backbone interact. energy: -0.092
local terms energy: -149.574673
where:
bonds (distance) C4'-P energy: -27.973
bonds (distance) P-C4' energy: -24.570
flat angles C4'-P-C4' energy: -31.200
flat angles P-C4'-P energy: -24.529
tors. eta vs tors. theta energy: -41.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -491.546332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.546332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.546332 (E_RNA)
where:
Base-Base interactions energy: -350.579
where: short stacking energy: -148.188
Base-Backbone interact. energy: -0.002
local terms energy: -150.964888
where:
bonds (distance) C4'-P energy: -23.912
bonds (distance) P-C4' energy: -24.904
flat angles C4'-P-C4' energy: -31.546
flat angles P-C4'-P energy: -25.226
tors. eta vs tors. theta energy: -45.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -465.176289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.176289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.176289 (E_RNA)
where:
Base-Base interactions energy: -328.369
where: short stacking energy: -137.464
Base-Backbone interact. energy: -0.090
local terms energy: -146.716718
where:
bonds (distance) C4'-P energy: -20.905
bonds (distance) P-C4' energy: -30.110
flat angles C4'-P-C4' energy: -31.313
flat angles P-C4'-P energy: -18.966
tors. eta vs tors. theta energy: -45.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -456.300016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.300016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.300016 (E_RNA)
where:
Base-Base interactions energy: -329.855
where: short stacking energy: -141.978
Base-Backbone interact. energy: -0.254
local terms energy: -136.190790
where:
bonds (distance) C4'-P energy: -23.140
bonds (distance) P-C4' energy: -26.577
flat angles C4'-P-C4' energy: -24.337
flat angles P-C4'-P energy: -20.937
tors. eta vs tors. theta energy: -41.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -480.038119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.038119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.038119 (E_RNA)
where:
Base-Base interactions energy: -349.798
where: short stacking energy: -149.622
Base-Backbone interact. energy: -0.001
local terms energy: -140.239704
where:
bonds (distance) C4'-P energy: -22.357
bonds (distance) P-C4' energy: -22.137
flat angles C4'-P-C4' energy: -32.981
flat angles P-C4'-P energy: -18.061
tors. eta vs tors. theta energy: -44.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -442.165834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.165834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.165834 (E_RNA)
where:
Base-Base interactions energy: -329.615
where: short stacking energy: -139.684
Base-Backbone interact. energy: -0.288
local terms energy: -122.263631
where:
bonds (distance) C4'-P energy: -24.825
bonds (distance) P-C4' energy: -22.890
flat angles C4'-P-C4' energy: -25.305
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -39.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -447.681842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.681842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.681842 (E_RNA)
where:
Base-Base interactions energy: -315.997
where: short stacking energy: -138.937
Base-Backbone interact. energy: -0.356
local terms energy: -141.329007
where:
bonds (distance) C4'-P energy: -25.425
bonds (distance) P-C4' energy: -24.453
flat angles C4'-P-C4' energy: -26.289
flat angles P-C4'-P energy: -22.109
tors. eta vs tors. theta energy: -43.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -404.669168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.669168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.669168 (E_RNA)
where:
Base-Base interactions energy: -285.027
where: short stacking energy: -120.593
Base-Backbone interact. energy: -0.001
local terms energy: -129.640516
where:
bonds (distance) C4'-P energy: -26.144
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -23.519
flat angles P-C4'-P energy: -21.683
tors. eta vs tors. theta energy: -39.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -325.172022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -325.172022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -335.172022 (E_RNA)
where:
Base-Base interactions energy: -210.560
where: short stacking energy: -90.005
Base-Backbone interact. energy: -0.031
local terms energy: -124.581097
where:
bonds (distance) C4'-P energy: -26.191
bonds (distance) P-C4' energy: -24.017
flat angles C4'-P-C4' energy: -26.608
flat angles P-C4'-P energy: -16.338
tors. eta vs tors. theta energy: -31.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -497.404726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.404726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.404726 (E_RNA)
where:
Base-Base interactions energy: -355.691
where: short stacking energy: -148.481
Base-Backbone interact. energy: -0.839
local terms energy: -150.875429
where:
bonds (distance) C4'-P energy: -25.173
bonds (distance) P-C4' energy: -28.774
flat angles C4'-P-C4' energy: -32.521
flat angles P-C4'-P energy: -23.045
tors. eta vs tors. theta energy: -41.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -501.484718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.484718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.484718 (E_RNA)
where:
Base-Base interactions energy: -358.301
where: short stacking energy: -151.168
Base-Backbone interact. energy: -0.050
local terms energy: -153.133157
where:
bonds (distance) C4'-P energy: -25.241
bonds (distance) P-C4' energy: -27.198
flat angles C4'-P-C4' energy: -31.115
flat angles P-C4'-P energy: -20.865
tors. eta vs tors. theta energy: -48.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -491.645312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.645312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.645312 (E_RNA)
where:
Base-Base interactions energy: -350.159
where: short stacking energy: -150.218
Base-Backbone interact. energy: -0.674
local terms energy: -150.811972
where:
bonds (distance) C4'-P energy: -25.624
bonds (distance) P-C4' energy: -26.256
flat angles C4'-P-C4' energy: -31.791
flat angles P-C4'-P energy: -21.747
tors. eta vs tors. theta energy: -45.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -470.609034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.609034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.609034 (E_RNA)
where:
Base-Base interactions energy: -341.504
where: short stacking energy: -138.781
Base-Backbone interact. energy: -0.169
local terms energy: -138.936712
where:
bonds (distance) C4'-P energy: -22.496
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -30.248
flat angles P-C4'-P energy: -21.797
tors. eta vs tors. theta energy: -43.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -458.091027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.091027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.091027 (E_RNA)
where:
Base-Base interactions energy: -331.012
where: short stacking energy: -137.308
Base-Backbone interact. energy: -0.094
local terms energy: -136.984548
where:
bonds (distance) C4'-P energy: -20.751
bonds (distance) P-C4' energy: -23.136
flat angles C4'-P-C4' energy: -32.680
flat angles P-C4'-P energy: -20.717
tors. eta vs tors. theta energy: -39.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -460.401678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.401678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.401678 (E_RNA)
where:
Base-Base interactions energy: -344.982
where: short stacking energy: -147.352
Base-Backbone interact. energy: -0.020
local terms energy: -125.400009
where:
bonds (distance) C4'-P energy: -21.519
bonds (distance) P-C4' energy: -20.223
flat angles C4'-P-C4' energy: -25.893
flat angles P-C4'-P energy: -18.818
tors. eta vs tors. theta energy: -38.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -466.353690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.353690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.353690 (E_RNA)
where:
Base-Base interactions energy: -341.466
where: short stacking energy: -142.505
Base-Backbone interact. energy: -0.670
local terms energy: -134.217645
where:
bonds (distance) C4'-P energy: -21.194
bonds (distance) P-C4' energy: -22.494
flat angles C4'-P-C4' energy: -29.822
flat angles P-C4'-P energy: -17.848
tors. eta vs tors. theta energy: -42.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -448.718310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.718310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.718310 (E_RNA)
where:
Base-Base interactions energy: -325.789
where: short stacking energy: -137.137
Base-Backbone interact. energy: -0.589
local terms energy: -132.340148
where:
bonds (distance) C4'-P energy: -21.911
bonds (distance) P-C4' energy: -25.574
flat angles C4'-P-C4' energy: -32.243
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -42.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -431.723582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.723582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.723582 (E_RNA)
where:
Base-Base interactions energy: -317.158
where: short stacking energy: -131.102
Base-Backbone interact. energy: 0.401
local terms energy: -124.966396
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -22.950
flat angles C4'-P-C4' energy: -23.616
flat angles P-C4'-P energy: -21.264
tors. eta vs tors. theta energy: -42.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -291.269011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.269011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.269011 (E_RNA)
where:
Base-Base interactions energy: -205.041
where: short stacking energy: -86.790
Base-Backbone interact. energy: -0.258
local terms energy: -95.970743
where:
bonds (distance) C4'-P energy: -18.943
bonds (distance) P-C4' energy: -22.618
flat angles C4'-P-C4' energy: -23.278
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -17.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -495.063875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.063875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.063875 (E_RNA)
where:
Base-Base interactions energy: -351.708
where: short stacking energy: -141.595
Base-Backbone interact. energy: -0.155
local terms energy: -153.200833
where:
bonds (distance) C4'-P energy: -30.404
bonds (distance) P-C4' energy: -28.824
flat angles C4'-P-C4' energy: -31.337
flat angles P-C4'-P energy: -22.351
tors. eta vs tors. theta energy: -40.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -486.960295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.960295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.960295 (E_RNA)
where:
Base-Base interactions energy: -347.340
where: short stacking energy: -148.766
Base-Backbone interact. energy: -0.683
local terms energy: -148.936729
where:
bonds (distance) C4'-P energy: -26.146
bonds (distance) P-C4' energy: -28.527
flat angles C4'-P-C4' energy: -28.006
flat angles P-C4'-P energy: -21.782
tors. eta vs tors. theta energy: -44.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -492.023544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.023544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.023544 (E_RNA)
where:
Base-Base interactions energy: -351.884
where: short stacking energy: -150.621
Base-Backbone interact. energy: -0.352
local terms energy: -149.788294
where:
bonds (distance) C4'-P energy: -21.894
bonds (distance) P-C4' energy: -25.952
flat angles C4'-P-C4' energy: -31.526
flat angles P-C4'-P energy: -24.656
tors. eta vs tors. theta energy: -45.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -480.715152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.715152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.715152 (E_RNA)
where:
Base-Base interactions energy: -345.942
where: short stacking energy: -143.119
Base-Backbone interact. energy: -0.232
local terms energy: -144.541666
where:
bonds (distance) C4'-P energy: -25.489
bonds (distance) P-C4' energy: -23.534
flat angles C4'-P-C4' energy: -29.707
flat angles P-C4'-P energy: -19.426
tors. eta vs tors. theta energy: -46.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -451.906830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.906830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.906830 (E_RNA)
where:
Base-Base interactions energy: -329.697
where: short stacking energy: -131.485
Base-Backbone interact. energy: -1.154
local terms energy: -131.055653
where:
bonds (distance) C4'-P energy: -21.489
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -24.810
flat angles P-C4'-P energy: -20.497
tors. eta vs tors. theta energy: -44.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -461.814156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.814156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.814156 (E_RNA)
where:
Base-Base interactions energy: -331.630
where: short stacking energy: -142.476
Base-Backbone interact. energy: -0.022
local terms energy: -140.162681
where:
bonds (distance) C4'-P energy: -25.383
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -30.745
flat angles P-C4'-P energy: -21.947
tors. eta vs tors. theta energy: -43.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -442.269096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.269096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.269096 (E_RNA)
where:
Base-Base interactions energy: -315.163
where: short stacking energy: -125.425
Base-Backbone interact. energy: -0.408
local terms energy: -136.698283
where:
bonds (distance) C4'-P energy: -22.337
bonds (distance) P-C4' energy: -31.030
flat angles C4'-P-C4' energy: -23.335
flat angles P-C4'-P energy: -24.291
tors. eta vs tors. theta energy: -35.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -429.880140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.880140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.880140 (E_RNA)
where:
Base-Base interactions energy: -312.447
where: short stacking energy: -123.013
Base-Backbone interact. energy: -0.025
local terms energy: -127.408439
where:
bonds (distance) C4'-P energy: -20.502
bonds (distance) P-C4' energy: -23.458
flat angles C4'-P-C4' energy: -24.428
flat angles P-C4'-P energy: -15.954
tors. eta vs tors. theta energy: -43.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -434.575934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.575934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.575934 (E_RNA)
where:
Base-Base interactions energy: -315.583
where: short stacking energy: -130.486
Base-Backbone interact. energy: -0.091
local terms energy: -128.901895
where:
bonds (distance) C4'-P energy: -25.247
bonds (distance) P-C4' energy: -18.758
flat angles C4'-P-C4' energy: -27.887
flat angles P-C4'-P energy: -15.500
tors. eta vs tors. theta energy: -41.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -289.237803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.237803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.237803 (E_RNA)
where:
Base-Base interactions energy: -188.347
where: short stacking energy: -93.555
Base-Backbone interact. energy: -0.131
local terms energy: -110.760255
where:
bonds (distance) C4'-P energy: -20.273
bonds (distance) P-C4' energy: -25.046
flat angles C4'-P-C4' energy: -25.170
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -27.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -495.053345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.053345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.053345 (E_RNA)
where:
Base-Base interactions energy: -349.355
where: short stacking energy: -145.684
Base-Backbone interact. energy: -1.243
local terms energy: -154.455342
where:
bonds (distance) C4'-P energy: -24.101
bonds (distance) P-C4' energy: -30.140
flat angles C4'-P-C4' energy: -31.246
flat angles P-C4'-P energy: -25.763
tors. eta vs tors. theta energy: -43.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -498.980711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.980711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.980711 (E_RNA)
where:
Base-Base interactions energy: -351.037
where: short stacking energy: -148.619
Base-Backbone interact. energy: -0.801
local terms energy: -157.143494
where:
bonds (distance) C4'-P energy: -31.312
bonds (distance) P-C4' energy: -29.768
flat angles C4'-P-C4' energy: -28.566
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -47.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -488.349126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.349126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.349126 (E_RNA)
where:
Base-Base interactions energy: -347.668
where: short stacking energy: -152.364
Base-Backbone interact. energy: -0.107
local terms energy: -150.573454
where:
bonds (distance) C4'-P energy: -26.626
bonds (distance) P-C4' energy: -25.775
flat angles C4'-P-C4' energy: -29.873
flat angles P-C4'-P energy: -19.811
tors. eta vs tors. theta energy: -48.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -472.235742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.235742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.235742 (E_RNA)
where:
Base-Base interactions energy: -341.546
where: short stacking energy: -143.920
Base-Backbone interact. energy: -0.123
local terms energy: -140.566806
where:
bonds (distance) C4'-P energy: -22.659
bonds (distance) P-C4' energy: -23.138
flat angles C4'-P-C4' energy: -30.647
flat angles P-C4'-P energy: -17.712
tors. eta vs tors. theta energy: -46.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -464.384077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.384077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.384077 (E_RNA)
where:
Base-Base interactions energy: -345.220
where: short stacking energy: -153.343
Base-Backbone interact. energy: -0.809
local terms energy: -128.355584
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -26.127
flat angles C4'-P-C4' energy: -29.498
flat angles P-C4'-P energy: -17.346
tors. eta vs tors. theta energy: -43.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -456.316125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.316125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.316125 (E_RNA)
where:
Base-Base interactions energy: -332.141
where: short stacking energy: -137.407
Base-Backbone interact. energy: -0.027
local terms energy: -134.147835
where:
bonds (distance) C4'-P energy: -24.047
bonds (distance) P-C4' energy: -20.703
flat angles C4'-P-C4' energy: -24.854
flat angles P-C4'-P energy: -21.637
tors. eta vs tors. theta energy: -42.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -427.833708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.833708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.833708 (E_RNA)
where:
Base-Base interactions energy: -309.071
where: short stacking energy: -123.528
Base-Backbone interact. energy: -0.143
local terms energy: -128.619908
where:
bonds (distance) C4'-P energy: -22.588
bonds (distance) P-C4' energy: -27.202
flat angles C4'-P-C4' energy: -27.079
flat angles P-C4'-P energy: -17.970
tors. eta vs tors. theta energy: -33.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -433.522114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.522114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.522114 (E_RNA)
where:
Base-Base interactions energy: -313.310
where: short stacking energy: -139.734
Base-Backbone interact. energy: -1.398
local terms energy: -128.814757
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -26.575
flat angles P-C4'-P energy: -21.024
tors. eta vs tors. theta energy: -41.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -289.733672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.733672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.733672 (E_RNA)
where:
Base-Base interactions energy: -186.121
where: short stacking energy: -95.298
Base-Backbone interact. energy: -0.124
local terms energy: -113.488149
where:
bonds (distance) C4'-P energy: -20.383
bonds (distance) P-C4' energy: -24.843
flat angles C4'-P-C4' energy: -24.819
flat angles P-C4'-P energy: -18.569
tors. eta vs tors. theta energy: -24.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -403.666781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.666781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.666781 (E_RNA)
where:
Base-Base interactions energy: -300.910
where: short stacking energy: -119.295
Base-Backbone interact. energy: -0.950
local terms energy: -111.807027
where:
bonds (distance) C4'-P energy: -14.229
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -23.427
flat angles P-C4'-P energy: -21.196
tors. eta vs tors. theta energy: -37.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -490.988682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.988682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.988682 (E_RNA)
where:
Base-Base interactions energy: -348.734
where: short stacking energy: -149.692
Base-Backbone interact. energy: -0.007
local terms energy: -152.247918
where:
bonds (distance) C4'-P energy: -29.403
bonds (distance) P-C4' energy: -24.460
flat angles C4'-P-C4' energy: -33.299
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: -42.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -495.763662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.763662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.763662 (E_RNA)
where:
Base-Base interactions energy: -353.257
where: short stacking energy: -154.140
Base-Backbone interact. energy: 0.562
local terms energy: -153.068435
where:
bonds (distance) C4'-P energy: -22.591
bonds (distance) P-C4' energy: -30.007
flat angles C4'-P-C4' energy: -30.604
flat angles P-C4'-P energy: -24.702
tors. eta vs tors. theta energy: -45.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -481.897430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.897430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.897430 (E_RNA)
where:
Base-Base interactions energy: -340.214
where: short stacking energy: -133.309
Base-Backbone interact. energy: -0.110
local terms energy: -151.573434
where:
bonds (distance) C4'-P energy: -27.509
bonds (distance) P-C4' energy: -29.409
flat angles C4'-P-C4' energy: -33.154
flat angles P-C4'-P energy: -20.613
tors. eta vs tors. theta energy: -40.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -480.839981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.839981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.839981 (E_RNA)
where:
Base-Base interactions energy: -340.552
where: short stacking energy: -145.475
Base-Backbone interact. energy: -0.004
local terms energy: -150.284032
where:
bonds (distance) C4'-P energy: -25.860
bonds (distance) P-C4' energy: -25.735
flat angles C4'-P-C4' energy: -35.321
flat angles P-C4'-P energy: -17.390
tors. eta vs tors. theta energy: -45.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -461.770570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.770570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.770570 (E_RNA)
where:
Base-Base interactions energy: -331.898
where: short stacking energy: -136.634
Base-Backbone interact. energy: -0.220
local terms energy: -139.652038
where:
bonds (distance) C4'-P energy: -26.087
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -32.130
flat angles P-C4'-P energy: -24.947
tors. eta vs tors. theta energy: -38.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -462.263183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.263183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.263183 (E_RNA)
where:
Base-Base interactions energy: -326.927
where: short stacking energy: -132.506
Base-Backbone interact. energy: -0.723
local terms energy: -144.612498
where:
bonds (distance) C4'-P energy: -22.056
bonds (distance) P-C4' energy: -30.856
flat angles C4'-P-C4' energy: -29.921
flat angles P-C4'-P energy: -19.848
tors. eta vs tors. theta energy: -41.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -460.253312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.253312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.253312 (E_RNA)
where:
Base-Base interactions energy: -336.183
where: short stacking energy: -138.595
Base-Backbone interact. energy: -0.188
local terms energy: -133.881677
where:
bonds (distance) C4'-P energy: -27.559
bonds (distance) P-C4' energy: -24.526
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -21.949
tors. eta vs tors. theta energy: -41.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -432.403612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.403612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.403612 (E_RNA)
where:
Base-Base interactions energy: -314.106
where: short stacking energy: -127.286
Base-Backbone interact. energy: -0.175
local terms energy: -128.122807
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -29.298
flat angles C4'-P-C4' energy: -28.101
flat angles P-C4'-P energy: -19.923
tors. eta vs tors. theta energy: -33.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -305.457285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.457285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.457285 (E_RNA)
where:
Base-Base interactions energy: -198.540
where: short stacking energy: -94.649
Base-Backbone interact. energy: -0.162
local terms energy: -116.755430
where:
bonds (distance) C4'-P energy: -22.804
bonds (distance) P-C4' energy: -21.714
flat angles C4'-P-C4' energy: -27.536
flat angles P-C4'-P energy: -16.596
tors. eta vs tors. theta energy: -28.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -421.123676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.123676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.123676 (E_RNA)
where:
Base-Base interactions energy: -302.799
where: short stacking energy: -131.785
Base-Backbone interact. energy: -0.395
local terms energy: -127.929520
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -25.442
flat angles C4'-P-C4' energy: -27.587
flat angles P-C4'-P energy: -17.813
tors. eta vs tors. theta energy: -36.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -496.825224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.825224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.825224 (E_RNA)
where:
Base-Base interactions energy: -362.665
where: short stacking energy: -147.918
Base-Backbone interact. energy: -0.400
local terms energy: -143.760379
where:
bonds (distance) C4'-P energy: -23.124
bonds (distance) P-C4' energy: -26.395
flat angles C4'-P-C4' energy: -27.002
flat angles P-C4'-P energy: -21.818
tors. eta vs tors. theta energy: -45.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -488.714248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.714248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.714248 (E_RNA)
where:
Base-Base interactions energy: -348.463
where: short stacking energy: -151.061
Base-Backbone interact. energy: -0.621
local terms energy: -149.629760
where:
bonds (distance) C4'-P energy: -25.467
bonds (distance) P-C4' energy: -31.661
flat angles C4'-P-C4' energy: -29.609
flat angles P-C4'-P energy: -21.565
tors. eta vs tors. theta energy: -41.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -477.614005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.614005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.614005 (E_RNA)
where:
Base-Base interactions energy: -340.704
where: short stacking energy: -147.950
Base-Backbone interact. energy: -0.046
local terms energy: -146.863926
where:
bonds (distance) C4'-P energy: -25.389
bonds (distance) P-C4' energy: -22.714
flat angles C4'-P-C4' energy: -30.436
flat angles P-C4'-P energy: -24.325
tors. eta vs tors. theta energy: -44.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -482.020918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.020918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.020918 (E_RNA)
where:
Base-Base interactions energy: -346.339
where: short stacking energy: -149.633
Base-Backbone interact. energy: -0.582
local terms energy: -145.099719
where:
bonds (distance) C4'-P energy: -26.900
bonds (distance) P-C4' energy: -23.718
flat angles C4'-P-C4' energy: -26.540
flat angles P-C4'-P energy: -22.750
tors. eta vs tors. theta energy: -45.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -480.073418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.073418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.073418 (E_RNA)
where:
Base-Base interactions energy: -347.105
where: short stacking energy: -147.682
Base-Backbone interact. energy: -0.006
local terms energy: -142.963094
where:
bonds (distance) C4'-P energy: -20.986
bonds (distance) P-C4' energy: -27.177
flat angles C4'-P-C4' energy: -25.073
flat angles P-C4'-P energy: -20.627
tors. eta vs tors. theta energy: -49.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -451.465031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.465031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.465031 (E_RNA)
where:
Base-Base interactions energy: -328.464
where: short stacking energy: -143.128
Base-Backbone interact. energy: -0.865
local terms energy: -132.136234
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -29.533
flat angles P-C4'-P energy: -21.461
tors. eta vs tors. theta energy: -41.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -467.336167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.336167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.336167 (E_RNA)
where:
Base-Base interactions energy: -342.461
where: short stacking energy: -136.816
Base-Backbone interact. energy: -0.777
local terms energy: -134.098717
where:
bonds (distance) C4'-P energy: -24.634
bonds (distance) P-C4' energy: -24.801
flat angles C4'-P-C4' energy: -28.254
flat angles P-C4'-P energy: -17.794
tors. eta vs tors. theta energy: -38.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -440.192132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.192132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.192132 (E_RNA)
where:
Base-Base interactions energy: -316.014
where: short stacking energy: -135.044
Base-Backbone interact. energy: -0.508
local terms energy: -133.670373
where:
bonds (distance) C4'-P energy: -25.418
bonds (distance) P-C4' energy: -22.193
flat angles C4'-P-C4' energy: -26.145
flat angles P-C4'-P energy: -18.832
tors. eta vs tors. theta energy: -41.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -428.378437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.378437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.378437 (E_RNA)
where:
Base-Base interactions energy: -323.203
where: short stacking energy: -125.925
Base-Backbone interact. energy: 0.562
local terms energy: -115.737724
where:
bonds (distance) C4'-P energy: -19.220
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -24.419
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -37.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -275.920284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.920284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.920284 (E_RNA)
where:
Base-Base interactions energy: -193.608
where: short stacking energy: -87.799
Base-Backbone interact. energy: -0.419
local terms energy: -91.893624
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -22.964
flat angles P-C4'-P energy: -13.143
tors. eta vs tors. theta energy: -20.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -498.938001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.938001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.938001 (E_RNA)
where:
Base-Base interactions energy: -349.290
where: short stacking energy: -148.507
Base-Backbone interact. energy: -0.008
local terms energy: -159.639800
where:
bonds (distance) C4'-P energy: -27.140
bonds (distance) P-C4' energy: -29.691
flat angles C4'-P-C4' energy: -29.850
flat angles P-C4'-P energy: -24.985
tors. eta vs tors. theta energy: -47.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -484.882467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.882467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.882467 (E_RNA)
where:
Base-Base interactions energy: -338.179
where: short stacking energy: -138.952
Base-Backbone interact. energy: -0.220
local terms energy: -156.483922
where:
bonds (distance) C4'-P energy: -29.243
bonds (distance) P-C4' energy: -30.426
flat angles C4'-P-C4' energy: -29.173
flat angles P-C4'-P energy: -24.571
tors. eta vs tors. theta energy: -43.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -462.907331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.907331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.907331 (E_RNA)
where:
Base-Base interactions energy: -326.476
where: short stacking energy: -133.285
Base-Backbone interact. energy: -0.204
local terms energy: -146.227261
where:
bonds (distance) C4'-P energy: -22.648
bonds (distance) P-C4' energy: -28.639
flat angles C4'-P-C4' energy: -30.927
flat angles P-C4'-P energy: -22.115
tors. eta vs tors. theta energy: -41.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -471.887957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.887957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.887957 (E_RNA)
where:
Base-Base interactions energy: -347.770
where: short stacking energy: -149.307
Base-Backbone interact. energy: -0.006
local terms energy: -134.111772
where:
bonds (distance) C4'-P energy: -25.226
bonds (distance) P-C4' energy: -19.960
flat angles C4'-P-C4' energy: -26.090
flat angles P-C4'-P energy: -19.505
tors. eta vs tors. theta energy: -43.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -440.864677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.864677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.864677 (E_RNA)
where:
Base-Base interactions energy: -313.138
where: short stacking energy: -133.622
Base-Backbone interact. energy: -0.636
local terms energy: -137.090526
where:
bonds (distance) C4'-P energy: -21.444
bonds (distance) P-C4' energy: -27.655
flat angles C4'-P-C4' energy: -28.540
flat angles P-C4'-P energy: -20.676
tors. eta vs tors. theta energy: -38.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -453.537842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.537842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.537842 (E_RNA)
where:
Base-Base interactions energy: -323.232
where: short stacking energy: -130.232
Base-Backbone interact. energy: -0.122
local terms energy: -140.183400
where:
bonds (distance) C4'-P energy: -23.702
bonds (distance) P-C4' energy: -30.809
flat angles C4'-P-C4' energy: -23.897
flat angles P-C4'-P energy: -17.658
tors. eta vs tors. theta energy: -44.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -419.094149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.094149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.094149 (E_RNA)
where:
Base-Base interactions energy: -298.282
where: short stacking energy: -122.035
Base-Backbone interact. energy: -0.109
local terms energy: -130.703470
where:
bonds (distance) C4'-P energy: -20.811
bonds (distance) P-C4' energy: -23.984
flat angles C4'-P-C4' energy: -33.537
flat angles P-C4'-P energy: -14.478
tors. eta vs tors. theta energy: -37.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -440.050676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.050676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.050676 (E_RNA)
where:
Base-Base interactions energy: -318.093
where: short stacking energy: -121.991
Base-Backbone interact. energy: -0.015
local terms energy: -131.942300
where:
bonds (distance) C4'-P energy: -21.903
bonds (distance) P-C4' energy: -27.165
flat angles C4'-P-C4' energy: -27.822
flat angles P-C4'-P energy: -17.976
tors. eta vs tors. theta energy: -37.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -409.992322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.992322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.992322 (E_RNA)
where:
Base-Base interactions energy: -292.251
where: short stacking energy: -122.094
Base-Backbone interact. energy: -0.036
local terms energy: -127.705238
where:
bonds (distance) C4'-P energy: -21.282
bonds (distance) P-C4' energy: -24.628
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -20.647
tors. eta vs tors. theta energy: -35.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -223.798559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.798559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.798559 (E_RNA)
where:
Base-Base interactions energy: -139.723
where: short stacking energy: -74.694
Base-Backbone interact. energy: 0.433
local terms energy: -94.508900
where:
bonds (distance) C4'-P energy: -27.228
bonds (distance) P-C4' energy: -23.486
flat angles C4'-P-C4' energy: -21.781
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -9.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -497.397755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.397755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.397755 (E_RNA)
where:
Base-Base interactions energy: -352.798
where: short stacking energy: -147.220
Base-Backbone interact. energy: -0.524
local terms energy: -154.076143
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -27.346
flat angles C4'-P-C4' energy: -30.241
flat angles P-C4'-P energy: -25.239
tors. eta vs tors. theta energy: -43.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -491.081218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.081218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.081218 (E_RNA)
where:
Base-Base interactions energy: -344.429
where: short stacking energy: -146.140
Base-Backbone interact. energy: -0.095
local terms energy: -156.557032
where:
bonds (distance) C4'-P energy: -27.107
bonds (distance) P-C4' energy: -30.915
flat angles C4'-P-C4' energy: -30.501
flat angles P-C4'-P energy: -21.570
tors. eta vs tors. theta energy: -46.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -485.125942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.125942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.125942 (E_RNA)
where:
Base-Base interactions energy: -347.807
where: short stacking energy: -148.243
Base-Backbone interact. energy: -0.330
local terms energy: -146.988886
where:
bonds (distance) C4'-P energy: -28.571
bonds (distance) P-C4' energy: -25.115
flat angles C4'-P-C4' energy: -29.606
flat angles P-C4'-P energy: -20.272
tors. eta vs tors. theta energy: -43.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -466.777194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.777194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.777194 (E_RNA)
where:
Base-Base interactions energy: -327.451
where: short stacking energy: -135.394
Base-Backbone interact. energy: -0.042
local terms energy: -149.284024
where:
bonds (distance) C4'-P energy: -31.508
bonds (distance) P-C4' energy: -23.487
flat angles C4'-P-C4' energy: -30.474
flat angles P-C4'-P energy: -22.627
tors. eta vs tors. theta energy: -41.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -452.123391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.123391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.123391 (E_RNA)
where:
Base-Base interactions energy: -328.635
where: short stacking energy: -132.762
Base-Backbone interact. energy: -0.296
local terms energy: -133.192481
where:
bonds (distance) C4'-P energy: -19.998
bonds (distance) P-C4' energy: -22.378
flat angles C4'-P-C4' energy: -29.158
flat angles P-C4'-P energy: -20.166
tors. eta vs tors. theta energy: -41.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -473.038716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.038716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.038716 (E_RNA)
where:
Base-Base interactions energy: -340.302
where: short stacking energy: -147.203
Base-Backbone interact. energy: -0.016
local terms energy: -142.720179
where:
bonds (distance) C4'-P energy: -26.072
bonds (distance) P-C4' energy: -25.111
flat angles C4'-P-C4' energy: -28.095
flat angles P-C4'-P energy: -19.580
tors. eta vs tors. theta energy: -43.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -447.216756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.216756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.216756 (E_RNA)
where:
Base-Base interactions energy: -323.993
where: short stacking energy: -137.682
Base-Backbone interact. energy: -0.289
local terms energy: -132.934611
where:
bonds (distance) C4'-P energy: -23.389
bonds (distance) P-C4' energy: -20.808
flat angles C4'-P-C4' energy: -27.731
flat angles P-C4'-P energy: -17.102
tors. eta vs tors. theta energy: -43.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -424.910745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.910745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.910745 (E_RNA)
where:
Base-Base interactions energy: -325.762
where: short stacking energy: -129.396
Base-Backbone interact. energy: -0.357
local terms energy: -108.792020
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -37.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -386.941189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.941189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.941189 (E_RNA)
where:
Base-Base interactions energy: -277.754
where: short stacking energy: -117.115
Base-Backbone interact. energy: -0.009
local terms energy: -119.177808
where:
bonds (distance) C4'-P energy: -26.220
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -28.850
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -36.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -221.313402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.313402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.313402 (E_RNA)
where:
Base-Base interactions energy: -141.503
where: short stacking energy: -58.911
Base-Backbone interact. energy: 1.064
local terms energy: -90.875149
where:
bonds (distance) C4'-P energy: -23.318
bonds (distance) P-C4' energy: -24.982
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -10.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -501.568918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.568918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.568918 (E_RNA)
where:
Base-Base interactions energy: -360.510
where: short stacking energy: -146.879
Base-Backbone interact. energy: -0.185
local terms energy: -150.873813
where:
bonds (distance) C4'-P energy: -30.737
bonds (distance) P-C4' energy: -26.772
flat angles C4'-P-C4' energy: -30.563
flat angles P-C4'-P energy: -20.332
tors. eta vs tors. theta energy: -42.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -487.404609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.404609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.404609 (E_RNA)
where:
Base-Base interactions energy: -341.002
where: short stacking energy: -144.473
Base-Backbone interact. energy: -0.175
local terms energy: -156.226968
where:
bonds (distance) C4'-P energy: -27.848
bonds (distance) P-C4' energy: -30.114
flat angles C4'-P-C4' energy: -29.556
flat angles P-C4'-P energy: -23.985
tors. eta vs tors. theta energy: -44.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -488.114055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.114055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.114055 (E_RNA)
where:
Base-Base interactions energy: -342.499
where: short stacking energy: -151.078
Base-Backbone interact. energy: -0.042
local terms energy: -155.572926
where:
bonds (distance) C4'-P energy: -31.690
bonds (distance) P-C4' energy: -20.589
flat angles C4'-P-C4' energy: -31.606
flat angles P-C4'-P energy: -25.951
tors. eta vs tors. theta energy: -45.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -479.602530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.602530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.602530 (E_RNA)
where:
Base-Base interactions energy: -338.975
where: short stacking energy: -142.657
Base-Backbone interact. energy: -0.047
local terms energy: -150.581134
where:
bonds (distance) C4'-P energy: -25.239
bonds (distance) P-C4' energy: -27.660
flat angles C4'-P-C4' energy: -31.664
flat angles P-C4'-P energy: -25.375
tors. eta vs tors. theta energy: -40.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -464.706985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.706985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.706985 (E_RNA)
where:
Base-Base interactions energy: -330.432
where: short stacking energy: -146.200
Base-Backbone interact. energy: -0.179
local terms energy: -144.096335
where:
bonds (distance) C4'-P energy: -24.381
bonds (distance) P-C4' energy: -24.409
flat angles C4'-P-C4' energy: -31.067
flat angles P-C4'-P energy: -19.765
tors. eta vs tors. theta energy: -44.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -465.632940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.632940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.632940 (E_RNA)
where:
Base-Base interactions energy: -334.070
where: short stacking energy: -144.411
Base-Backbone interact. energy: -0.038
local terms energy: -141.524403
where:
bonds (distance) C4'-P energy: -22.887
bonds (distance) P-C4' energy: -25.749
flat angles C4'-P-C4' energy: -31.172
flat angles P-C4'-P energy: -17.879
tors. eta vs tors. theta energy: -43.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -443.483117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.483117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.483117 (E_RNA)
where:
Base-Base interactions energy: -317.370
where: short stacking energy: -132.739
Base-Backbone interact. energy: -0.251
local terms energy: -135.862093
where:
bonds (distance) C4'-P energy: -24.279
bonds (distance) P-C4' energy: -25.255
flat angles C4'-P-C4' energy: -27.731
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -42.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -403.781065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.781065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.781065 (E_RNA)
where:
Base-Base interactions energy: -298.890
where: short stacking energy: -115.754
Base-Backbone interact. energy: 3.610
local terms energy: -118.501002
where:
bonds (distance) C4'-P energy: -20.467
bonds (distance) P-C4' energy: -28.869
flat angles C4'-P-C4' energy: -26.286
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -33.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -409.190963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.190963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.190963 (E_RNA)
where:
Base-Base interactions energy: -293.829
where: short stacking energy: -118.321
Base-Backbone interact. energy: -0.207
local terms energy: -125.155792
where:
bonds (distance) C4'-P energy: -23.472
bonds (distance) P-C4' energy: -25.462
flat angles C4'-P-C4' energy: -23.605
flat angles P-C4'-P energy: -18.660
tors. eta vs tors. theta energy: -33.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -253.882816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.882816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.882816 (E_RNA)
where:
Base-Base interactions energy: -164.941
where: short stacking energy: -79.223
Base-Backbone interact. energy: -1.347
local terms energy: -97.595152
where:
bonds (distance) C4'-P energy: -22.935
bonds (distance) P-C4' energy: -21.448
flat angles C4'-P-C4' energy: -26.895
flat angles P-C4'-P energy: -6.506
tors. eta vs tors. theta energy: -19.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -497.542961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.542961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.542961 (E_RNA)
where:
Base-Base interactions energy: -355.722
where: short stacking energy: -158.007
Base-Backbone interact. energy: -0.019
local terms energy: -151.802270
where:
bonds (distance) C4'-P energy: -20.717
bonds (distance) P-C4' energy: -29.554
flat angles C4'-P-C4' energy: -30.703
flat angles P-C4'-P energy: -23.658
tors. eta vs tors. theta energy: -47.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -487.407422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.407422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.407422 (E_RNA)
where:
Base-Base interactions energy: -348.902
where: short stacking energy: -135.236
Base-Backbone interact. energy: -0.603
local terms energy: -147.902793
where:
bonds (distance) C4'-P energy: -27.951
bonds (distance) P-C4' energy: -26.301
flat angles C4'-P-C4' energy: -31.902
flat angles P-C4'-P energy: -20.466
tors. eta vs tors. theta energy: -41.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -481.314968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.314968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.314968 (E_RNA)
where:
Base-Base interactions energy: -345.338
where: short stacking energy: -146.092
Base-Backbone interact. energy: -0.225
local terms energy: -145.752460
where:
bonds (distance) C4'-P energy: -26.366
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -30.438
flat angles P-C4'-P energy: -23.055
tors. eta vs tors. theta energy: -45.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -477.942981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.942981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.942981 (E_RNA)
where:
Base-Base interactions energy: -342.099
where: short stacking energy: -143.740
Base-Backbone interact. energy: -0.031
local terms energy: -145.812890
where:
bonds (distance) C4'-P energy: -21.883
bonds (distance) P-C4' energy: -29.529
flat angles C4'-P-C4' energy: -30.044
flat angles P-C4'-P energy: -19.208
tors. eta vs tors. theta energy: -45.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -458.643137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.643137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.643137 (E_RNA)
where:
Base-Base interactions energy: -330.993
where: short stacking energy: -143.254
Base-Backbone interact. energy: -0.020
local terms energy: -137.629818
where:
bonds (distance) C4'-P energy: -25.269
bonds (distance) P-C4' energy: -27.713
flat angles C4'-P-C4' energy: -23.946
flat angles P-C4'-P energy: -17.305
tors. eta vs tors. theta energy: -43.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -457.230074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.230074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.230074 (E_RNA)
where:
Base-Base interactions energy: -322.319
where: short stacking energy: -133.812
Base-Backbone interact. energy: -0.075
local terms energy: -144.836408
where:
bonds (distance) C4'-P energy: -26.009
bonds (distance) P-C4' energy: -27.944
flat angles C4'-P-C4' energy: -29.363
flat angles P-C4'-P energy: -19.674
tors. eta vs tors. theta energy: -41.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -436.796792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.796792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.796792 (E_RNA)
where:
Base-Base interactions energy: -324.573
where: short stacking energy: -128.180
Base-Backbone interact. energy: -0.094
local terms energy: -122.129274
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -21.986
flat angles C4'-P-C4' energy: -25.884
flat angles P-C4'-P energy: -22.134
tors. eta vs tors. theta energy: -37.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -415.373453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.373453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.373453 (E_RNA)
where:
Base-Base interactions energy: -294.826
where: short stacking energy: -118.397
Base-Backbone interact. energy: -0.852
local terms energy: -129.695715
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -28.157
flat angles C4'-P-C4' energy: -29.586
flat angles P-C4'-P energy: -18.964
tors. eta vs tors. theta energy: -38.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -405.958589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.958589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.958589 (E_RNA)
where:
Base-Base interactions energy: -297.271
where: short stacking energy: -112.821
Base-Backbone interact. energy: -1.622
local terms energy: -117.065757
where:
bonds (distance) C4'-P energy: -20.288
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -25.349
flat angles P-C4'-P energy: -18.222
tors. eta vs tors. theta energy: -32.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -220.445614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.445614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.445614 (E_RNA)
where:
Base-Base interactions energy: -140.042
where: short stacking energy: -66.506
Base-Backbone interact. energy: -0.554
local terms energy: -89.849123
where:
bonds (distance) C4'-P energy: -18.275
bonds (distance) P-C4' energy: -23.224
flat angles C4'-P-C4' energy: -21.340
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -499.682178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.682178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.682178 (E_RNA)
where:
Base-Base interactions energy: -359.243
where: short stacking energy: -150.609
Base-Backbone interact. energy: -0.295
local terms energy: -150.144377
where:
bonds (distance) C4'-P energy: -27.705
bonds (distance) P-C4' energy: -27.762
flat angles C4'-P-C4' energy: -32.468
flat angles P-C4'-P energy: -19.064
tors. eta vs tors. theta energy: -43.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -484.072003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.072003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.072003 (E_RNA)
where:
Base-Base interactions energy: -350.786
where: short stacking energy: -147.785
Base-Backbone interact. energy: -0.865
local terms energy: -142.421320
where:
bonds (distance) C4'-P energy: -22.288
bonds (distance) P-C4' energy: -24.726
flat angles C4'-P-C4' energy: -32.013
flat angles P-C4'-P energy: -20.610
tors. eta vs tors. theta energy: -42.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -483.051593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.051593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.051593 (E_RNA)
where:
Base-Base interactions energy: -356.024
where: short stacking energy: -151.855
Base-Backbone interact. energy: 0.122
local terms energy: -137.149903
where:
bonds (distance) C4'-P energy: -24.092
bonds (distance) P-C4' energy: -29.464
flat angles C4'-P-C4' energy: -29.421
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -43.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -477.918107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.918107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.918107 (E_RNA)
where:
Base-Base interactions energy: -340.470
where: short stacking energy: -144.992
Base-Backbone interact. energy: -0.294
local terms energy: -147.154429
where:
bonds (distance) C4'-P energy: -28.179
bonds (distance) P-C4' energy: -19.716
flat angles C4'-P-C4' energy: -33.881
flat angles P-C4'-P energy: -23.019
tors. eta vs tors. theta energy: -42.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -458.937090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.937090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.937090 (E_RNA)
where:
Base-Base interactions energy: -334.882
where: short stacking energy: -140.949
Base-Backbone interact. energy: -0.038
local terms energy: -134.017176
where:
bonds (distance) C4'-P energy: -28.882
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -28.056
flat angles P-C4'-P energy: -15.916
tors. eta vs tors. theta energy: -41.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -458.225760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.225760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.225760 (E_RNA)
where:
Base-Base interactions energy: -322.169
where: short stacking energy: -139.604
Base-Backbone interact. energy: -0.606
local terms energy: -145.451229
where:
bonds (distance) C4'-P energy: -28.336
bonds (distance) P-C4' energy: -25.706
flat angles C4'-P-C4' energy: -30.481
flat angles P-C4'-P energy: -17.700
tors. eta vs tors. theta energy: -43.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -444.991792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.991792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.991792 (E_RNA)
where:
Base-Base interactions energy: -315.551
where: short stacking energy: -131.564
Base-Backbone interact. energy: -1.809
local terms energy: -137.631198
where:
bonds (distance) C4'-P energy: -26.756
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -27.432
flat angles P-C4'-P energy: -22.497
tors. eta vs tors. theta energy: -40.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -439.902636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.902636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.902636 (E_RNA)
where:
Base-Base interactions energy: -318.000
where: short stacking energy: -134.164
Base-Backbone interact. energy: 0.331
local terms energy: -132.234068
where:
bonds (distance) C4'-P energy: -23.737
bonds (distance) P-C4' energy: -22.412
flat angles C4'-P-C4' energy: -30.524
flat angles P-C4'-P energy: -16.366
tors. eta vs tors. theta energy: -39.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -421.946872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.946872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.946872 (E_RNA)
where:
Base-Base interactions energy: -297.004
where: short stacking energy: -130.460
Base-Backbone interact. energy: -0.172
local terms energy: -134.770908
where:
bonds (distance) C4'-P energy: -23.243
bonds (distance) P-C4' energy: -25.314
flat angles C4'-P-C4' energy: -32.335
flat angles P-C4'-P energy: -20.896
tors. eta vs tors. theta energy: -32.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -254.957325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.957325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.957325 (E_RNA)
where:
Base-Base interactions energy: -178.685
where: short stacking energy: -75.084
Base-Backbone interact. energy: -0.206
local terms energy: -86.065716
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -487.522891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.522891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.522891 (E_RNA)
where:
Base-Base interactions energy: -350.816
where: short stacking energy: -147.530
Base-Backbone interact. energy: -0.131
local terms energy: -146.575716
where:
bonds (distance) C4'-P energy: -30.209
bonds (distance) P-C4' energy: -23.293
flat angles C4'-P-C4' energy: -33.126
flat angles P-C4'-P energy: -16.775
tors. eta vs tors. theta energy: -43.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -490.762268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.762268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.762268 (E_RNA)
where:
Base-Base interactions energy: -355.051
where: short stacking energy: -156.820
Base-Backbone interact. energy: -0.434
local terms energy: -145.276979
where:
bonds (distance) C4'-P energy: -23.739
bonds (distance) P-C4' energy: -23.365
flat angles C4'-P-C4' energy: -29.258
flat angles P-C4'-P energy: -21.035
tors. eta vs tors. theta energy: -47.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -484.568072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.568072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.568072 (E_RNA)
where:
Base-Base interactions energy: -354.051
where: short stacking energy: -144.789
Base-Backbone interact. energy: -0.222
local terms energy: -140.294569
where:
bonds (distance) C4'-P energy: -25.094
bonds (distance) P-C4' energy: -23.584
flat angles C4'-P-C4' energy: -31.762
flat angles P-C4'-P energy: -16.554
tors. eta vs tors. theta energy: -43.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -461.922087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.922087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.922087 (E_RNA)
where:
Base-Base interactions energy: -329.947
where: short stacking energy: -141.637
Base-Backbone interact. energy: -0.077
local terms energy: -141.898114
where:
bonds (distance) C4'-P energy: -24.550
bonds (distance) P-C4' energy: -27.391
flat angles C4'-P-C4' energy: -26.817
flat angles P-C4'-P energy: -19.670
tors. eta vs tors. theta energy: -43.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -457.144472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.144472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.144472 (E_RNA)
where:
Base-Base interactions energy: -330.998
where: short stacking energy: -135.243
Base-Backbone interact. energy: -1.336
local terms energy: -134.810086
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -24.192
flat angles C4'-P-C4' energy: -30.821
flat angles P-C4'-P energy: -15.668
tors. eta vs tors. theta energy: -42.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -455.017769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.017769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.017769 (E_RNA)
where:
Base-Base interactions energy: -328.506
where: short stacking energy: -137.415
Base-Backbone interact. energy: -0.053
local terms energy: -136.458909
where:
bonds (distance) C4'-P energy: -28.830
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -25.707
flat angles P-C4'-P energy: -17.884
tors. eta vs tors. theta energy: -43.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -442.837272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.837272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.837272 (E_RNA)
where:
Base-Base interactions energy: -324.068
where: short stacking energy: -138.107
Base-Backbone interact. energy: -0.235
local terms energy: -128.533572
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -23.889
flat angles C4'-P-C4' energy: -29.581
flat angles P-C4'-P energy: -15.143
tors. eta vs tors. theta energy: -41.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -427.276650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.276650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.276650 (E_RNA)
where:
Base-Base interactions energy: -303.813
where: short stacking energy: -125.297
Base-Backbone interact. energy: -0.191
local terms energy: -133.273037
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -27.290
flat angles C4'-P-C4' energy: -30.059
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -44.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -419.969865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.969865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.969865 (E_RNA)
where:
Base-Base interactions energy: -304.698
where: short stacking energy: -125.248
Base-Backbone interact. energy: -0.113
local terms energy: -125.159315
where:
bonds (distance) C4'-P energy: -25.010
bonds (distance) P-C4' energy: -21.074
flat angles C4'-P-C4' energy: -28.967
flat angles P-C4'-P energy: -15.473
tors. eta vs tors. theta energy: -34.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -223.745620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.745620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.745620 (E_RNA)
where:
Base-Base interactions energy: -146.559
where: short stacking energy: -73.364
Base-Backbone interact. energy: -0.393
local terms energy: -86.793606
where:
bonds (distance) C4'-P energy: -20.873
bonds (distance) P-C4' energy: -20.853
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -14.141
tors. eta vs tors. theta energy: -12.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -492.553695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.553695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.553695 (E_RNA)
where:
Base-Base interactions energy: -344.894
where: short stacking energy: -151.237
Base-Backbone interact. energy: -0.648
local terms energy: -157.011935
where:
bonds (distance) C4'-P energy: -29.678
bonds (distance) P-C4' energy: -29.348
flat angles C4'-P-C4' energy: -30.324
flat angles P-C4'-P energy: -23.320
tors. eta vs tors. theta energy: -44.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -492.293774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.293774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.293774 (E_RNA)
where:
Base-Base interactions energy: -341.483
where: short stacking energy: -147.483
Base-Backbone interact. energy: -0.763
local terms energy: -160.048159
where:
bonds (distance) C4'-P energy: -30.484
bonds (distance) P-C4' energy: -31.729
flat angles C4'-P-C4' energy: -29.921
flat angles P-C4'-P energy: -24.963
tors. eta vs tors. theta energy: -42.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -476.997325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.997325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.997325 (E_RNA)
where:
Base-Base interactions energy: -335.278
where: short stacking energy: -144.963
Base-Backbone interact. energy: -0.238
local terms energy: -151.481302
where:
bonds (distance) C4'-P energy: -23.681
bonds (distance) P-C4' energy: -25.732
flat angles C4'-P-C4' energy: -33.006
flat angles P-C4'-P energy: -25.143
tors. eta vs tors. theta energy: -43.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -469.016388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.016388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.016388 (E_RNA)
where:
Base-Base interactions energy: -345.669
where: short stacking energy: -138.620
Base-Backbone interact. energy: -0.099
local terms energy: -133.248440
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -25.915
flat angles C4'-P-C4' energy: -29.970
flat angles P-C4'-P energy: -18.319
tors. eta vs tors. theta energy: -42.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -465.933687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.933687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.933687 (E_RNA)
where:
Base-Base interactions energy: -339.242
where: short stacking energy: -139.131
Base-Backbone interact. energy: -0.240
local terms energy: -136.451758
where:
bonds (distance) C4'-P energy: -19.402
bonds (distance) P-C4' energy: -26.528
flat angles C4'-P-C4' energy: -31.831
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -43.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -448.075351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.075351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.075351 (E_RNA)
where:
Base-Base interactions energy: -326.904
where: short stacking energy: -124.013
Base-Backbone interact. energy: 0.053
local terms energy: -131.224235
where:
bonds (distance) C4'-P energy: -22.535
bonds (distance) P-C4' energy: -23.752
flat angles C4'-P-C4' energy: -24.264
flat angles P-C4'-P energy: -19.790
tors. eta vs tors. theta energy: -40.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -449.612092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.612092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.612092 (E_RNA)
where:
Base-Base interactions energy: -323.192
where: short stacking energy: -139.788
Base-Backbone interact. energy: -0.037
local terms energy: -136.382421
where:
bonds (distance) C4'-P energy: -21.673
bonds (distance) P-C4' energy: -28.656
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -18.764
tors. eta vs tors. theta energy: -40.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -431.506027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.506027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.506027 (E_RNA)
where:
Base-Base interactions energy: -318.609
where: short stacking energy: -127.317
Base-Backbone interact. energy: -1.111
local terms energy: -121.785663
where:
bonds (distance) C4'-P energy: -11.540
bonds (distance) P-C4' energy: -25.823
flat angles C4'-P-C4' energy: -24.971
flat angles P-C4'-P energy: -20.056
tors. eta vs tors. theta energy: -39.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -421.884335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.884335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.884335 (E_RNA)
where:
Base-Base interactions energy: -309.590
where: short stacking energy: -122.631
Base-Backbone interact. energy: -0.112
local terms energy: -122.182165
where:
bonds (distance) C4'-P energy: -26.154
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -28.665
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -37.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -232.790658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.790658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.790658 (E_RNA)
where:
Base-Base interactions energy: -146.065
where: short stacking energy: -70.550
Base-Backbone interact. energy: -1.189
local terms energy: -95.536817
where:
bonds (distance) C4'-P energy: -28.609
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -22.660
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -496.127322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.127322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.127322 (E_RNA)
where:
Base-Base interactions energy: -354.397
where: short stacking energy: -147.330
Base-Backbone interact. energy: -0.216
local terms energy: -151.513940
where:
bonds (distance) C4'-P energy: -29.737
bonds (distance) P-C4' energy: -27.430
flat angles C4'-P-C4' energy: -32.328
flat angles P-C4'-P energy: -21.205
tors. eta vs tors. theta energy: -40.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -501.475653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.475653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.475653 (E_RNA)
where:
Base-Base interactions energy: -354.390
where: short stacking energy: -151.113
Base-Backbone interact. energy: -0.419
local terms energy: -156.666174
where:
bonds (distance) C4'-P energy: -29.017
bonds (distance) P-C4' energy: -31.970
flat angles C4'-P-C4' energy: -26.950
flat angles P-C4'-P energy: -24.069
tors. eta vs tors. theta energy: -44.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -462.658990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.658990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.658990 (E_RNA)
where:
Base-Base interactions energy: -337.958
where: short stacking energy: -137.775
Base-Backbone interact. energy: -0.358
local terms energy: -134.343475
where:
bonds (distance) C4'-P energy: -23.936
bonds (distance) P-C4' energy: -24.052
flat angles C4'-P-C4' energy: -25.526
flat angles P-C4'-P energy: -20.812
tors. eta vs tors. theta energy: -40.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -473.906607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.906607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.906607 (E_RNA)
where:
Base-Base interactions energy: -343.194
where: short stacking energy: -143.381
Base-Backbone interact. energy: -0.037
local terms energy: -140.676288
where:
bonds (distance) C4'-P energy: -20.611
bonds (distance) P-C4' energy: -24.638
flat angles C4'-P-C4' energy: -31.694
flat angles P-C4'-P energy: -19.567
tors. eta vs tors. theta energy: -44.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -440.477303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.477303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.477303 (E_RNA)
where:
Base-Base interactions energy: -307.179
where: short stacking energy: -126.218
Base-Backbone interact. energy: 0.295
local terms energy: -143.593799
where:
bonds (distance) C4'-P energy: -26.432
bonds (distance) P-C4' energy: -30.569
flat angles C4'-P-C4' energy: -31.009
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -41.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -458.492676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.492676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.492676 (E_RNA)
where:
Base-Base interactions energy: -328.263
where: short stacking energy: -135.773
Base-Backbone interact. energy: -0.173
local terms energy: -140.056982
where:
bonds (distance) C4'-P energy: -23.748
bonds (distance) P-C4' energy: -24.227
flat angles C4'-P-C4' energy: -27.190
flat angles P-C4'-P energy: -21.885
tors. eta vs tors. theta energy: -43.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -436.323892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.323892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.323892 (E_RNA)
where:
Base-Base interactions energy: -320.958
where: short stacking energy: -136.450
Base-Backbone interact. energy: -0.068
local terms energy: -125.298562
where:
bonds (distance) C4'-P energy: -25.184
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -26.249
flat angles P-C4'-P energy: -16.610
tors. eta vs tors. theta energy: -39.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -415.943104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.943104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.943104 (E_RNA)
where:
Base-Base interactions energy: -298.266
where: short stacking energy: -126.457
Base-Backbone interact. energy: -0.688
local terms energy: -126.988898
where:
bonds (distance) C4'-P energy: -20.533
bonds (distance) P-C4' energy: -25.380
flat angles C4'-P-C4' energy: -20.052
flat angles P-C4'-P energy: -22.082
tors. eta vs tors. theta energy: -38.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -423.277430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.277430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.277430 (E_RNA)
where:
Base-Base interactions energy: -306.717
where: short stacking energy: -131.748
Base-Backbone interact. energy: -0.335
local terms energy: -126.226187
where:
bonds (distance) C4'-P energy: -19.749
bonds (distance) P-C4' energy: -22.062
flat angles C4'-P-C4' energy: -27.624
flat angles P-C4'-P energy: -18.357
tors. eta vs tors. theta energy: -38.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -243.469041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.469041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.469041 (E_RNA)
where:
Base-Base interactions energy: -161.678
where: short stacking energy: -58.888
Base-Backbone interact. energy: -1.158
local terms energy: -90.632881
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -26.856
flat angles C4'-P-C4' energy: -22.603
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -500.410749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.410749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.410749 (E_RNA)
where:
Base-Base interactions energy: -353.735
where: short stacking energy: -146.946
Base-Backbone interact. energy: -0.036
local terms energy: -156.639711
where:
bonds (distance) C4'-P energy: -26.943
bonds (distance) P-C4' energy: -29.196
flat angles C4'-P-C4' energy: -30.657
flat angles P-C4'-P energy: -23.717
tors. eta vs tors. theta energy: -46.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -495.335233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.335233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.335233 (E_RNA)
where:
Base-Base interactions energy: -351.183
where: short stacking energy: -146.093
Base-Backbone interact. energy: 1.150
local terms energy: -155.302280
where:
bonds (distance) C4'-P energy: -30.411
bonds (distance) P-C4' energy: -28.709
flat angles C4'-P-C4' energy: -31.863
flat angles P-C4'-P energy: -20.626
tors. eta vs tors. theta energy: -43.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -480.466570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.466570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.466570 (E_RNA)
where:
Base-Base interactions energy: -340.731
where: short stacking energy: -142.452
Base-Backbone interact. energy: 0.345
local terms energy: -150.081014
where:
bonds (distance) C4'-P energy: -20.220
bonds (distance) P-C4' energy: -30.567
flat angles C4'-P-C4' energy: -32.980
flat angles P-C4'-P energy: -20.229
tors. eta vs tors. theta energy: -46.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -466.273471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.273471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.273471 (E_RNA)
where:
Base-Base interactions energy: -335.366
where: short stacking energy: -141.401
Base-Backbone interact. energy: -0.007
local terms energy: -140.901060
where:
bonds (distance) C4'-P energy: -23.383
bonds (distance) P-C4' energy: -32.501
flat angles C4'-P-C4' energy: -25.568
flat angles P-C4'-P energy: -20.772
tors. eta vs tors. theta energy: -38.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -461.195536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.195536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.195536 (E_RNA)
where:
Base-Base interactions energy: -330.458
where: short stacking energy: -141.080
Base-Backbone interact. energy: -0.591
local terms energy: -140.147075
where:
bonds (distance) C4'-P energy: -20.439
bonds (distance) P-C4' energy: -24.127
flat angles C4'-P-C4' energy: -25.648
flat angles P-C4'-P energy: -22.897
tors. eta vs tors. theta energy: -47.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -437.694772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.694772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.694772 (E_RNA)
where:
Base-Base interactions energy: -316.666
where: short stacking energy: -124.869
Base-Backbone interact. energy: -1.861
local terms energy: -129.168096
where:
bonds (distance) C4'-P energy: -21.765
bonds (distance) P-C4' energy: -22.290
flat angles C4'-P-C4' energy: -24.696
flat angles P-C4'-P energy: -19.397
tors. eta vs tors. theta energy: -41.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -441.859807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.859807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.859807 (E_RNA)
where:
Base-Base interactions energy: -311.968
where: short stacking energy: -129.186
Base-Backbone interact. energy: -0.050
local terms energy: -139.841768
where:
bonds (distance) C4'-P energy: -27.685
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -31.973
flat angles P-C4'-P energy: -21.818
tors. eta vs tors. theta energy: -38.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -438.638142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.638142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.638142 (E_RNA)
where:
Base-Base interactions energy: -317.253
where: short stacking energy: -127.111
Base-Backbone interact. energy: -0.635
local terms energy: -130.750075
where:
bonds (distance) C4'-P energy: -23.380
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -27.352
flat angles P-C4'-P energy: -20.223
tors. eta vs tors. theta energy: -39.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -407.639492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.639492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.639492 (E_RNA)
where:
Base-Base interactions energy: -302.685
where: short stacking energy: -122.969
Base-Backbone interact. energy: -0.007
local terms energy: -114.948179
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -26.921
flat angles P-C4'-P energy: -19.566
tors. eta vs tors. theta energy: -35.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -293.336019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.336019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.336019 (E_RNA)
where:
Base-Base interactions energy: -192.081
where: short stacking energy: -84.056
Base-Backbone interact. energy: -0.987
local terms energy: -110.267471
where:
bonds (distance) C4'-P energy: -25.321
bonds (distance) P-C4' energy: -26.785
flat angles C4'-P-C4' energy: -27.882
flat angles P-C4'-P energy: -15.867
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -496.426000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.426000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.426000 (E_RNA)
where:
Base-Base interactions energy: -359.384
where: short stacking energy: -148.126
Base-Backbone interact. energy: -0.019
local terms energy: -147.023505
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -28.809
flat angles C4'-P-C4' energy: -29.451
flat angles P-C4'-P energy: -23.385
tors. eta vs tors. theta energy: -44.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -492.212953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.212953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.212953 (E_RNA)
where:
Base-Base interactions energy: -350.642
where: short stacking energy: -145.954
Base-Backbone interact. energy: 0.040
local terms energy: -151.611754
where:
bonds (distance) C4'-P energy: -24.659
bonds (distance) P-C4' energy: -26.448
flat angles C4'-P-C4' energy: -31.918
flat angles P-C4'-P energy: -22.418
tors. eta vs tors. theta energy: -46.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -478.269746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.269746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.269746 (E_RNA)
where:
Base-Base interactions energy: -338.297
where: short stacking energy: -144.961
Base-Backbone interact. energy: -0.600
local terms energy: -149.372715
where:
bonds (distance) C4'-P energy: -25.640
bonds (distance) P-C4' energy: -24.834
flat angles C4'-P-C4' energy: -32.510
flat angles P-C4'-P energy: -21.475
tors. eta vs tors. theta energy: -44.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -474.433897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.433897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.433897 (E_RNA)
where:
Base-Base interactions energy: -343.778
where: short stacking energy: -147.716
Base-Backbone interact. energy: -0.426
local terms energy: -140.230031
where:
bonds (distance) C4'-P energy: -22.184
bonds (distance) P-C4' energy: -23.204
flat angles C4'-P-C4' energy: -27.948
flat angles P-C4'-P energy: -20.533
tors. eta vs tors. theta energy: -46.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -471.877399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.877399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.877399 (E_RNA)
where:
Base-Base interactions energy: -331.503
where: short stacking energy: -136.324
Base-Backbone interact. energy: -0.763
local terms energy: -149.611286
where:
bonds (distance) C4'-P energy: -24.544
bonds (distance) P-C4' energy: -26.232
flat angles C4'-P-C4' energy: -32.953
flat angles P-C4'-P energy: -22.627
tors. eta vs tors. theta energy: -43.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -470.629503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.629503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.629503 (E_RNA)
where:
Base-Base interactions energy: -334.657
where: short stacking energy: -139.094
Base-Backbone interact. energy: 1.418
local terms energy: -147.391206
where:
bonds (distance) C4'-P energy: -29.148
bonds (distance) P-C4' energy: -30.288
flat angles C4'-P-C4' energy: -25.815
flat angles P-C4'-P energy: -20.390
tors. eta vs tors. theta energy: -41.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -434.166740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.166740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.166740 (E_RNA)
where:
Base-Base interactions energy: -312.686
where: short stacking energy: -126.805
Base-Backbone interact. energy: -0.496
local terms energy: -130.985071
where:
bonds (distance) C4'-P energy: -24.043
bonds (distance) P-C4' energy: -23.802
flat angles C4'-P-C4' energy: -29.854
flat angles P-C4'-P energy: -16.508
tors. eta vs tors. theta energy: -36.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -431.707628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.707628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.707628 (E_RNA)
where:
Base-Base interactions energy: -312.951
where: short stacking energy: -126.478
Base-Backbone interact. energy: -0.306
local terms energy: -128.449801
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -25.459
flat angles C4'-P-C4' energy: -26.256
flat angles P-C4'-P energy: -20.362
tors. eta vs tors. theta energy: -36.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -423.690726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.690726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.690726 (E_RNA)
where:
Base-Base interactions energy: -298.168
where: short stacking energy: -126.836
Base-Backbone interact. energy: -0.097
local terms energy: -135.425667
where:
bonds (distance) C4'-P energy: -24.706
bonds (distance) P-C4' energy: -25.259
flat angles C4'-P-C4' energy: -26.699
flat angles P-C4'-P energy: -19.463
tors. eta vs tors. theta energy: -39.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -278.962525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.962525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.962525 (E_RNA)
where:
Base-Base interactions energy: -191.690
where: short stacking energy: -77.109
Base-Backbone interact. energy: -0.278
local terms energy: -96.994273
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -26.344
flat angles C4'-P-C4' energy: -25.650
flat angles P-C4'-P energy: -5.265
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -507.160920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.160920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.160920 (E_RNA)
where:
Base-Base interactions energy: -356.919
where: short stacking energy: -153.597
Base-Backbone interact. energy: -0.003
local terms energy: -160.238795
where:
bonds (distance) C4'-P energy: -29.793
bonds (distance) P-C4' energy: -30.876
flat angles C4'-P-C4' energy: -29.849
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: -47.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -490.413003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.413003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.413003 (E_RNA)
where:
Base-Base interactions energy: -341.658
where: short stacking energy: -148.244
Base-Backbone interact. energy: 0.109
local terms energy: -158.863981
where:
bonds (distance) C4'-P energy: -29.044
bonds (distance) P-C4' energy: -29.271
flat angles C4'-P-C4' energy: -30.477
flat angles P-C4'-P energy: -25.180
tors. eta vs tors. theta energy: -44.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -478.231723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.231723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.231723 (E_RNA)
where:
Base-Base interactions energy: -344.058
where: short stacking energy: -147.401
Base-Backbone interact. energy: 1.321
local terms energy: -145.494589
where:
bonds (distance) C4'-P energy: -19.797
bonds (distance) P-C4' energy: -27.857
flat angles C4'-P-C4' energy: -29.415
flat angles P-C4'-P energy: -20.787
tors. eta vs tors. theta energy: -47.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -478.437007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.437007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.437007 (E_RNA)
where:
Base-Base interactions energy: -350.305
where: short stacking energy: -147.682
Base-Backbone interact. energy: -0.010
local terms energy: -138.122019
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -21.340
flat angles C4'-P-C4' energy: -31.586
flat angles P-C4'-P energy: -24.974
tors. eta vs tors. theta energy: -44.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -456.040655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.040655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.040655 (E_RNA)
where:
Base-Base interactions energy: -329.012
where: short stacking energy: -141.343
Base-Backbone interact. energy: -0.025
local terms energy: -137.004001
where:
bonds (distance) C4'-P energy: -20.909
bonds (distance) P-C4' energy: -24.390
flat angles C4'-P-C4' energy: -30.428
flat angles P-C4'-P energy: -17.385
tors. eta vs tors. theta energy: -43.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -456.569344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.569344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.569344 (E_RNA)
where:
Base-Base interactions energy: -332.097
where: short stacking energy: -145.584
Base-Backbone interact. energy: -0.636
local terms energy: -133.836518
where:
bonds (distance) C4'-P energy: -27.170
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -28.889
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -43.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -443.479798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.479798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.479798 (E_RNA)
where:
Base-Base interactions energy: -320.265
where: short stacking energy: -130.968
Base-Backbone interact. energy: 0.775
local terms energy: -133.989262
where:
bonds (distance) C4'-P energy: -20.869
bonds (distance) P-C4' energy: -24.224
flat angles C4'-P-C4' energy: -27.692
flat angles P-C4'-P energy: -19.279
tors. eta vs tors. theta energy: -41.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -426.528343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.528343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.528343 (E_RNA)
where:
Base-Base interactions energy: -308.663
where: short stacking energy: -128.625
Base-Backbone interact. energy: -0.017
local terms energy: -127.847689
where:
bonds (distance) C4'-P energy: -20.615
bonds (distance) P-C4' energy: -29.638
flat angles C4'-P-C4' energy: -27.283
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -37.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -404.123117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.123117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.123117 (E_RNA)
where:
Base-Base interactions energy: -297.391
where: short stacking energy: -125.741
Base-Backbone interact. energy: -0.243
local terms energy: -116.489282
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -20.910
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -19.261
tors. eta vs tors. theta energy: -38.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -250.486472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.486472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.486472 (E_RNA)
where:
Base-Base interactions energy: -169.994
where: short stacking energy: -85.769
Base-Backbone interact. energy: -0.422
local terms energy: -90.069852
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -27.081
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -16.845
tors. eta vs tors. theta energy: -14.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -497.224381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.224381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.224381 (E_RNA)
where:
Base-Base interactions energy: -353.902
where: short stacking energy: -150.133
Base-Backbone interact. energy: -0.001
local terms energy: -153.321225
where:
bonds (distance) C4'-P energy: -23.708
bonds (distance) P-C4' energy: -28.447
flat angles C4'-P-C4' energy: -31.430
flat angles P-C4'-P energy: -24.584
tors. eta vs tors. theta energy: -45.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -491.806886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.806886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.806886 (E_RNA)
where:
Base-Base interactions energy: -357.532
where: short stacking energy: -149.000
Base-Backbone interact. energy: -0.244
local terms energy: -144.030723
where:
bonds (distance) C4'-P energy: -24.780
bonds (distance) P-C4' energy: -27.006
flat angles C4'-P-C4' energy: -28.531
flat angles P-C4'-P energy: -16.024
tors. eta vs tors. theta energy: -47.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (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: -483.779799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.779799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.779799 (E_RNA)
where:
Base-Base interactions energy: -341.886
where: short stacking energy: -142.879
Base-Backbone interact. energy: -0.107
local terms energy: -151.786566
where:
bonds (distance) C4'-P energy: -29.938
bonds (distance) P-C4' energy: -25.418
flat angles C4'-P-C4' energy: -33.091
flat angles P-C4'-P energy: -18.960
tors. eta vs tors. theta energy: -44.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -476.882783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.882783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.882783 (E_RNA)
where:
Base-Base interactions energy: -337.061
where: short stacking energy: -142.207
Base-Backbone interact. energy: -0.165
local terms energy: -149.656361
where:
bonds (distance) C4'-P energy: -23.593
bonds (distance) P-C4' energy: -25.531
flat angles C4'-P-C4' energy: -29.294
flat angles P-C4'-P energy: -26.554
tors. eta vs tors. theta energy: -44.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -467.910545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.910545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.910545 (E_RNA)
where:
Base-Base interactions energy: -331.993
where: short stacking energy: -134.445
Base-Backbone interact. energy: -0.968
local terms energy: -144.948981
where:
bonds (distance) C4'-P energy: -24.016
bonds (distance) P-C4' energy: -23.942
flat angles C4'-P-C4' energy: -30.735
flat angles P-C4'-P energy: -21.363
tors. eta vs tors. theta energy: -44.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -447.124913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.124913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.124913 (E_RNA)
where:
Base-Base interactions energy: -316.289
where: short stacking energy: -127.039
Base-Backbone interact. energy: -0.877
local terms energy: -139.959395
where:
bonds (distance) C4'-P energy: -23.016
bonds (distance) P-C4' energy: -29.432
flat angles C4'-P-C4' energy: -26.226
flat angles P-C4'-P energy: -20.846
tors. eta vs tors. theta energy: -40.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -451.744868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.744868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.744868 (E_RNA)
where:
Base-Base interactions energy: -333.282
where: short stacking energy: -132.474
Base-Backbone interact. energy: -0.088
local terms energy: -128.374185
where:
bonds (distance) C4'-P energy: -23.244
bonds (distance) P-C4' energy: -24.709
flat angles C4'-P-C4' energy: -23.466
flat angles P-C4'-P energy: -12.279
tors. eta vs tors. theta energy: -44.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -443.630981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.630981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.630981 (E_RNA)
where:
Base-Base interactions energy: -315.521
where: short stacking energy: -137.120
Base-Backbone interact. energy: -0.158
local terms energy: -137.951971
where:
bonds (distance) C4'-P energy: -29.223
bonds (distance) P-C4' energy: -23.580
flat angles C4'-P-C4' energy: -25.206
flat angles P-C4'-P energy: -18.682
tors. eta vs tors. theta energy: -41.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -411.408271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.408271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.408271 (E_RNA)
where:
Base-Base interactions energy: -290.059
where: short stacking energy: -116.566
Base-Backbone interact. energy: -0.316
local terms energy: -131.032946
where:
bonds (distance) C4'-P energy: -26.528
bonds (distance) P-C4' energy: -29.095
flat angles C4'-P-C4' energy: -23.260
flat angles P-C4'-P energy: -20.062
tors. eta vs tors. theta energy: -32.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -225.107847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.107847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.107847 (E_RNA)
where:
Base-Base interactions energy: -137.156
where: short stacking energy: -54.482
Base-Backbone interact. energy: -1.054
local terms energy: -96.897640
where:
bonds (distance) C4'-P energy: -22.453
bonds (distance) P-C4' energy: -25.404
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -17.356
tors. eta vs tors. theta energy: -9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 10.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)